data_5331 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5331 _Entry.Title ; Backbone relaxation data of rat holo cellular retinol-binding protein type I (CRBP-I) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-19 _Entry.Accession_date 2002-03-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lorella Franzoni . . . 5331 2 Christian Luecke . . . 5331 3 Carlos Perez . . . 5331 4 Davide Cavazzini . . . 5331 5 Martin Rademacher . . . 5331 6 Christian Ludwig . . . 5331 7 Alberto Spisni . . . 5331 8 'Gian Luigi' Rossi . . . 5331 9 Heinz Rueterjans . . . 5331 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID order_parameters 1 5331 heteronucl_T1_relaxation 2 5331 heteronucl_T2_relaxation 2 5331 heteronucl_NOEs 2 5331 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 235 5331 'T2 relaxation values' 236 5331 'order parameters' 118 5331 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 . . 2002-06-26 . update author 'Add the PubMed ID of the citation.' 5331 2 . . 2002-06-13 . original author 'Original release.' 5331 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5048 'chemical shift assignments of the apo protein' 5331 BMRB 5319 'chemical shift assignments of the holo protein' 5331 BMRB 5330 'relaxation data of the apo protein' 5331 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5331 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11934897 _Citation.Full_citation . _Citation.Title ; Structure and backbone dynamics of apo- and holo-cellular retinol-binding protein in solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 24 _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 21983 _Citation.Page_last 21997 _Citation.Year 2002 _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 Lorella Franzoni . . . 5331 1 2 Christian Luecke . . . 5331 1 3 Carlos Perez . . . 5331 1 4 Davide Cavazzini . . . 5331 1 5 Martin Rademacher . . . 5331 1 6 Christian Ludwig . . . 5331 1 7 Alberto Spisni . . . 5331 1 8 'Gian Luigi' Rossi . . . 5331 1 9 Heinz Rueterjans . . . 5331 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta barrel' 5331 1 'lipid binding protein' 5331 1 'retinoid carrier' 5331 1 'holo form' 5331 1 'retinol ligand' 5331 1 '15N isotope enrichment' 5331 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CRBP-I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CRBP-I _Assembly.Entry_ID 5331 _Assembly.ID 1 _Assembly.Name 'cellular retinol-binding protein type I' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; The sequence is identical with SWISS-PROT entry P02696, except that it starts with an additional N-terminal methionine residue that should be numbered as M0, since it occurs only in the recombinantly-expressed protein. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5331 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'cellular retinol-binding protein type I' 1 $CRBP-I . . . native . . . . . 5331 1 2 retinol 2 $RTL . . . native . . . . . 5331 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JBH . . . . . 'solution structure of the apo protein' 5331 1 . PDB 1KGL . . . . . 'solution structure of the holo protein' 5331 1 . SWISS-PROT P02696 . . . . . . 5331 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cellular retinol-binding protein type I' system 5331 1 CRBP-I abbreviation 5331 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'lipid binding' 5331 1 'retinoid carrier' 5331 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRBP-I _Entity.Sf_category entity _Entity.Sf_framecode CRBP-I _Entity.Entry_ID 5331 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cellular retinol-binding protein type I' _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 ; MPVDFNGYWKMLSNENFEEY LRALDVNVALRKIANLLKPD KEIVQDGDHMIIRTLSTFRN YIMDFQVGKEFEEDLTGIDD RKCMTTVSWDGDKLQCVQKG EKEGRGWTQWIEGDELHLEM RAEGVTCKQVFKKVH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15703 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The above molecular mass excludes MET 0.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 5048 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 2 no BMRB 5319 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 3 no BMRB 5330 . CRBP-I . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 4 no BMRB 5578 . CRBP_I . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5331 1 5 no BMRB 5579 . CRBP_I . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5331 1 6 no PDB 1CRB . "Crystallographic Studies On A Family Of Cellular Lipophilic Transport Proteins. Refinement Of P2 Myelin Protein And The Structu" . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5331 1 7 no PDB 1JBH . "Solution Structure Of Cellular Retinol Binding Protein Type- I In The Ligand-Free State" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 8 no PDB 1KGL . "Solution Structure Of Cellular Retinol Binding Protein Type- I In Complex With All-Trans-Retinol" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 9 no PDB 1MX7 . "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5331 1 10 no PDB 1MX8 . "Two Homologous Rat Cellular Retinol-Binding Proteins Differ In Local Structure And Flexibility" . . . . . 99.26 134 100.00 100.00 1.01e-93 . . . . 5331 1 11 no DBJ BAB27753 . "unnamed protein product [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5331 1 12 no EMBL CAA42919 . "cellular retinol binding protein I [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5331 1 13 no GB AAA35714 . "retinol-binding protein, partial [Homo sapiens]" . . . . . 89.63 121 98.35 98.35 1.60e-81 . . . . 5331 1 14 no GB AAA40962 . "cytosolic retinol-binding protein [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 15 no GB AAA42021 . "cellular retinol binding protein [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 16 no GB AAH18254 . "Retinol binding protein 1, cellular [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5331 1 17 no GB AAH91751 . "Rbp1 protein [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5331 1 18 no REF NP_035384 . "retinol-binding protein 1 [Mus musculus]" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5331 1 19 no REF NP_036865 . "retinol-binding protein 1 [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 20 no REF XP_005080789 . "PREDICTED: retinol-binding protein 1 [Mesocricetus auratus]" . . . . . 100.00 135 98.52 99.26 2.93e-93 . . . . 5331 1 21 no REF XP_005366741 . "PREDICTED: retinol-binding protein 1 [Microtus ochrogaster]" . . . . . 100.00 135 97.78 99.26 9.11e-93 . . . . 5331 1 22 no REF XP_006083819 . "PREDICTED: retinol-binding protein 1 [Myotis lucifugus]" . . . . . 100.00 135 97.04 97.78 7.92e-92 . . . . 5331 1 23 no SP P02696 . "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" . . . . . 100.00 135 100.00 100.00 1.89e-94 . . . . 5331 1 24 no SP Q00915 . "RecName: Full=Retinol-binding protein 1; AltName: Full=Cellular retinol-binding protein; Short=CRBP; AltName: Full=Cellular ret" . . . . . 100.00 135 99.26 99.26 1.22e-93 . . . . 5331 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cellular retinol-binding protein type I' common 5331 1 CRBP-I abbreviation 5331 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 0 MET . 5331 1 2 1 PRO . 5331 1 3 2 VAL . 5331 1 4 3 ASP . 5331 1 5 4 PHE . 5331 1 6 5 ASN . 5331 1 7 6 GLY . 5331 1 8 7 TYR . 5331 1 9 8 TRP . 5331 1 10 9 LYS . 5331 1 11 10 MET . 5331 1 12 11 LEU . 5331 1 13 12 SER . 5331 1 14 13 ASN . 5331 1 15 14 GLU . 5331 1 16 15 ASN . 5331 1 17 16 PHE . 5331 1 18 17 GLU . 5331 1 19 18 GLU . 5331 1 20 19 TYR . 5331 1 21 20 LEU . 5331 1 22 21 ARG . 5331 1 23 22 ALA . 5331 1 24 23 LEU . 5331 1 25 24 ASP . 5331 1 26 25 VAL . 5331 1 27 26 ASN . 5331 1 28 27 VAL . 5331 1 29 28 ALA . 5331 1 30 29 LEU . 5331 1 31 30 ARG . 5331 1 32 31 LYS . 5331 1 33 32 ILE . 5331 1 34 33 ALA . 5331 1 35 34 ASN . 5331 1 36 35 LEU . 5331 1 37 36 LEU . 5331 1 38 37 LYS . 5331 1 39 38 PRO . 5331 1 40 39 ASP . 5331 1 41 40 LYS . 5331 1 42 41 GLU . 5331 1 43 42 ILE . 5331 1 44 43 VAL . 5331 1 45 44 GLN . 5331 1 46 45 ASP . 5331 1 47 46 GLY . 5331 1 48 47 ASP . 5331 1 49 48 HIS . 5331 1 50 49 MET . 5331 1 51 50 ILE . 5331 1 52 51 ILE . 5331 1 53 52 ARG . 5331 1 54 53 THR . 5331 1 55 54 LEU . 5331 1 56 55 SER . 5331 1 57 56 THR . 5331 1 58 57 PHE . 5331 1 59 58 ARG . 5331 1 60 59 ASN . 5331 1 61 60 TYR . 5331 1 62 61 ILE . 5331 1 63 62 MET . 5331 1 64 63 ASP . 5331 1 65 64 PHE . 5331 1 66 65 GLN . 5331 1 67 66 VAL . 5331 1 68 67 GLY . 5331 1 69 68 LYS . 5331 1 70 69 GLU . 5331 1 71 70 PHE . 5331 1 72 71 GLU . 5331 1 73 72 GLU . 5331 1 74 73 ASP . 5331 1 75 74 LEU . 5331 1 76 75 THR . 5331 1 77 76 GLY . 5331 1 78 77 ILE . 5331 1 79 78 ASP . 5331 1 80 79 ASP . 5331 1 81 80 ARG . 5331 1 82 81 LYS . 5331 1 83 82 CYS . 5331 1 84 83 MET . 5331 1 85 84 THR . 5331 1 86 85 THR . 5331 1 87 86 VAL . 5331 1 88 87 SER . 5331 1 89 88 TRP . 5331 1 90 89 ASP . 5331 1 91 90 GLY . 5331 1 92 91 ASP . 5331 1 93 92 LYS . 5331 1 94 93 LEU . 5331 1 95 94 GLN . 5331 1 96 95 CYS . 5331 1 97 96 VAL . 5331 1 98 97 GLN . 5331 1 99 98 LYS . 5331 1 100 99 GLY . 5331 1 101 100 GLU . 5331 1 102 101 LYS . 5331 1 103 102 GLU . 5331 1 104 103 GLY . 5331 1 105 104 ARG . 5331 1 106 105 GLY . 5331 1 107 106 TRP . 5331 1 108 107 THR . 5331 1 109 108 GLN . 5331 1 110 109 TRP . 5331 1 111 110 ILE . 5331 1 112 111 GLU . 5331 1 113 112 GLY . 5331 1 114 113 ASP . 5331 1 115 114 GLU . 5331 1 116 115 LEU . 5331 1 117 116 HIS . 5331 1 118 117 LEU . 5331 1 119 118 GLU . 5331 1 120 119 MET . 5331 1 121 120 ARG . 5331 1 122 121 ALA . 5331 1 123 122 GLU . 5331 1 124 123 GLY . 5331 1 125 124 VAL . 5331 1 126 125 THR . 5331 1 127 126 CYS . 5331 1 128 127 LYS . 5331 1 129 128 GLN . 5331 1 130 129 VAL . 5331 1 131 130 PHE . 5331 1 132 131 LYS . 5331 1 133 132 LYS . 5331 1 134 133 VAL . 5331 1 135 134 HIS . 5331 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 5331 1 . PRO 2 2 5331 1 . VAL 3 3 5331 1 . ASP 4 4 5331 1 . PHE 5 5 5331 1 . ASN 6 6 5331 1 . GLY 7 7 5331 1 . TYR 8 8 5331 1 . TRP 9 9 5331 1 . LYS 10 10 5331 1 . MET 11 11 5331 1 . LEU 12 12 5331 1 . SER 13 13 5331 1 . ASN 14 14 5331 1 . GLU 15 15 5331 1 . ASN 16 16 5331 1 . PHE 17 17 5331 1 . GLU 18 18 5331 1 . GLU 19 19 5331 1 . TYR 20 20 5331 1 . LEU 21 21 5331 1 . ARG 22 22 5331 1 . ALA 23 23 5331 1 . LEU 24 24 5331 1 . ASP 25 25 5331 1 . VAL 26 26 5331 1 . ASN 27 27 5331 1 . VAL 28 28 5331 1 . ALA 29 29 5331 1 . LEU 30 30 5331 1 . ARG 31 31 5331 1 . LYS 32 32 5331 1 . ILE 33 33 5331 1 . ALA 34 34 5331 1 . ASN 35 35 5331 1 . LEU 36 36 5331 1 . LEU 37 37 5331 1 . LYS 38 38 5331 1 . PRO 39 39 5331 1 . ASP 40 40 5331 1 . LYS 41 41 5331 1 . GLU 42 42 5331 1 . ILE 43 43 5331 1 . VAL 44 44 5331 1 . GLN 45 45 5331 1 . ASP 46 46 5331 1 . GLY 47 47 5331 1 . ASP 48 48 5331 1 . HIS 49 49 5331 1 . MET 50 50 5331 1 . ILE 51 51 5331 1 . ILE 52 52 5331 1 . ARG 53 53 5331 1 . THR 54 54 5331 1 . LEU 55 55 5331 1 . SER 56 56 5331 1 . THR 57 57 5331 1 . PHE 58 58 5331 1 . ARG 59 59 5331 1 . ASN 60 60 5331 1 . TYR 61 61 5331 1 . ILE 62 62 5331 1 . MET 63 63 5331 1 . ASP 64 64 5331 1 . PHE 65 65 5331 1 . GLN 66 66 5331 1 . VAL 67 67 5331 1 . GLY 68 68 5331 1 . LYS 69 69 5331 1 . GLU 70 70 5331 1 . PHE 71 71 5331 1 . GLU 72 72 5331 1 . GLU 73 73 5331 1 . ASP 74 74 5331 1 . LEU 75 75 5331 1 . THR 76 76 5331 1 . GLY 77 77 5331 1 . ILE 78 78 5331 1 . ASP 79 79 5331 1 . ASP 80 80 5331 1 . ARG 81 81 5331 1 . LYS 82 82 5331 1 . CYS 83 83 5331 1 . MET 84 84 5331 1 . THR 85 85 5331 1 . THR 86 86 5331 1 . VAL 87 87 5331 1 . SER 88 88 5331 1 . TRP 89 89 5331 1 . ASP 90 90 5331 1 . GLY 91 91 5331 1 . ASP 92 92 5331 1 . LYS 93 93 5331 1 . LEU 94 94 5331 1 . GLN 95 95 5331 1 . CYS 96 96 5331 1 . VAL 97 97 5331 1 . GLN 98 98 5331 1 . LYS 99 99 5331 1 . GLY 100 100 5331 1 . GLU 101 101 5331 1 . LYS 102 102 5331 1 . GLU 103 103 5331 1 . GLY 104 104 5331 1 . ARG 105 105 5331 1 . GLY 106 106 5331 1 . TRP 107 107 5331 1 . THR 108 108 5331 1 . GLN 109 109 5331 1 . TRP 110 110 5331 1 . ILE 111 111 5331 1 . GLU 112 112 5331 1 . GLY 113 113 5331 1 . ASP 114 114 5331 1 . GLU 115 115 5331 1 . LEU 116 116 5331 1 . HIS 117 117 5331 1 . LEU 118 118 5331 1 . GLU 119 119 5331 1 . MET 120 120 5331 1 . ARG 121 121 5331 1 . ALA 122 122 5331 1 . GLU 123 123 5331 1 . GLY 124 124 5331 1 . VAL 125 125 5331 1 . THR 126 126 5331 1 . CYS 127 127 5331 1 . LYS 128 128 5331 1 . GLN 129 129 5331 1 . VAL 130 130 5331 1 . PHE 131 131 5331 1 . LYS 132 132 5331 1 . LYS 133 133 5331 1 . VAL 134 134 5331 1 . HIS 135 135 5331 1 stop_ save_ save_RTL _Entity.Sf_category entity _Entity.Sf_framecode RTL _Entity.Entry_ID 5331 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RTL _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID RTL _Entity.Nonpolymer_comp_label $chem_comp_RTL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . RTL . 5331 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 5331 _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 $CRBP-I . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5331 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 5331 _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 $CRBP-I . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET11b . . . . . . 5331 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RTL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RTL _Chem_comp.Entry_ID 5331 _Chem_comp.ID RTL _Chem_comp.Provenance . _Chem_comp.Name RETINOL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code RTL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RTL _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H30 O' _Chem_comp.Formula_weight 286.452 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1AQB _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 12:03:01 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID OC/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)C)C SMILES ACDLabs 10.04 5331 RTL CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C SMILES_CANONICAL CACTVS 3.341 5331 RTL CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C SMILES CACTVS 3.341 5331 RTL CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=CCO)C)\C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5331 RTL CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C SMILES 'OpenEye OEToolkits' 1.5.0 5331 RTL InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ InChI InChI 1.03 5331 RTL FPIPGXGPPPQFEQ-OVSJKPMPSA-N InChIKey InChI 1.03 5331 RTL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID retinol 'SYSTEMATIC NAME' ACDLabs 10.04 5331 RTL (4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5331 RTL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 0.507 . 4.585 . -7.709 . . . . 1 . 5331 RTL C2 . C2 . . C . . N 0 . . . . no no . . . . 0.780 . 6.020 . -8.208 . . . . 2 . 5331 RTL C3 . C3 . . C . . N 0 . . . . no no . . . . -0.086 . 7.022 . -7.465 . . . . 3 . 5331 RTL C4 . C4 . . C . . N 0 . . . . no no . . . . -0.682 . 7.049 . -6.069 . . . . 4 . 5331 RTL C5 . C5 . . C . . N 0 . . . . no no . . . . -0.603 . 5.593 . -5.622 . . . . 5 . 5331 RTL C6 . C6 . . C . . N 0 . . . . no no . . . . -0.146 . 4.500 . -6.320 . . . . 6 . 5331 RTL C7 . C7 . . C . . N 0 . . . . no no . . . . -0.288 . 3.138 . -5.805 . . . . 7 . 5331 RTL C8 . C8 . . C . . N 0 . . . . no no . . . . -1.467 . 2.550 . -5.517 . . . . 8 . 5331 RTL C9 . C9 . . C . . N 0 . . . . no no . . . . -1.531 . 1.175 . -5.043 . . . . 9 . 5331 RTL C10 . C10 . . C . . N 0 . . . . no no . . . . -2.732 . 0.697 . -4.592 . . . . 10 . 5331 RTL C11 . C11 . . C . . N 0 . . . . no no . . . . -3.071 . -0.664 . -4.129 . . . . 11 . 5331 RTL C12 . C12 . . C . . N 0 . . . . no no . . . . -4.419 . -0.846 . -4.040 . . . . 12 . 5331 RTL C13 . C13 . . C . . N 0 . . . . no no . . . . -5.257 . -2.000 . -3.734 . . . . 13 . 5331 RTL C14 . C14 . . C . . N 0 . . . . no no . . . . -6.485 . -2.094 . -3.147 . . . . 14 . 5331 RTL C15 . C15 . . C . . N 0 . . . . no no . . . . -6.895 . -3.403 . -2.612 . . . . 15 . 5331 RTL O1 . O1 . . O . . N 0 . . . . no no . . . . -7.316 . -3.327 . -1.315 . . . . 16 . 5331 RTL C16 . C16 . . C . . N 0 . . . . no no . . . . 1.944 . 4.031 . -7.690 . . . . 17 . 5331 RTL C17 . C17 . . C . . N 0 . . . . no no . . . . -0.274 . 3.923 . -8.847 . . . . 18 . 5331 RTL C18 . C18 . . C . . N 0 . . . . no no . . . . -1.516 . 5.371 . -4.416 . . . . 19 . 5331 RTL C19 . C19 . . C . . N 0 . . . . no no . . . . -0.216 . 0.485 . -4.685 . . . . 20 . 5331 RTL C20 . C20 . . C . . N 0 . . . . no no . . . . -4.209 . -3.037 . -3.331 . . . . 21 . 5331 RTL H21 . H21 . . H . . N 0 . . . . no no . . . . 1.862 . 6.281 . -8.142 . . . . 22 . 5331 RTL H22 . H22 . . H . . N 0 . . . . no no . . . . 0.653 . 6.104 . -9.312 . . . . 23 . 5331 RTL H31 . H31 . . H . . N 0 . . . . no no . . . . 0.487 . 7.976 . -7.532 . . . . 24 . 5331 RTL H32 . H32 . . H . . N 0 . . . . no no . . . . -0.964 . 7.169 . -8.136 . . . . 25 . 5331 RTL H41 . H41 . . H . . N 0 . . . . no no . . . . -0.197 . 7.773 . -5.373 . . . . 26 . 5331 RTL H42 . H42 . . H . . N 0 . . . . no no . . . . -1.701 . 7.496 . -6.010 . . . . 27 . 5331 RTL H7 . H7 . . H . . N 0 . . . . no no . . . . 0.582 . 2.488 . -5.614 . . . . 28 . 5331 RTL H8 . H8 . . H . . N 0 . . . . no no . . . . -2.359 . 3.180 . -5.665 . . . . 29 . 5331 RTL H10 . H10 . . H . . N 0 . . . . no no . . . . -3.502 . 1.486 . -4.602 . . . . 30 . 5331 RTL H11 . H11 . . H . . N 0 . . . . no no . . . . -2.373 . -1.478 . -3.870 . . . . 31 . 5331 RTL H12 . H12 . . H . . N 0 . . . . no no . . . . -4.921 . 0.112 . -4.253 . . . . 32 . 5331 RTL H14 . H14 . . H . . N 0 . . . . no no . . . . -7.100 . -1.179 . -3.107 . . . . 33 . 5331 RTL H151 . H151 . . H . . N 0 . . . . no no . . . . -7.669 . -3.876 . -3.258 . . . . 34 . 5331 RTL H152 . H152 . . H . . N 0 . . . . no no . . . . -6.081 . -4.156 . -2.726 . . . . 35 . 5331 RTL HO1 . HO1 . . H . . N 0 . . . . no no . . . . -7.580 . -4.171 . -0.969 . . . . 36 . 5331 RTL H161 . H161 . . H . . N 0 . . . . no no . . . . 1.746 . 2.994 . -7.329 . . . . 37 . 5331 RTL H162 . H162 . . H . . N 0 . . . . no no . . . . 2.509 . 4.113 . -8.647 . . . . 38 . 5331 RTL H163 . H163 . . H . . N 0 . . . . no no . . . . 2.684 . 4.619 . -7.098 . . . . 39 . 5331 RTL H171 . H171 . . H . . N 0 . . . . no no . . . . -0.471 . 2.886 . -8.486 . . . . 40 . 5331 RTL H172 . H172 . . H . . N 0 . . . . no no . . . . -1.190 . 4.479 . -9.153 . . . . 41 . 5331 RTL H173 . H173 . . H . . N 0 . . . . no no . . . . 0.237 . 3.970 . -9.836 . . . . 42 . 5331 RTL H181 . H181 . . H . . N 0 . . . . no no . . . . -1.458 . 4.306 . -4.089 . . . . 43 . 5331 RTL H182 . H182 . . H . . N 0 . . . . no no . . . . -1.290 . 6.077 . -3.583 . . . . 44 . 5331 RTL H183 . H183 . . H . . N 0 . . . . no no . . . . -2.564 . 5.690 . -4.619 . . . . 45 . 5331 RTL H191 . H191 . . H . . N 0 . . . . no no . . . . -0.265 . -0.568 . -4.322 . . . . 46 . 5331 RTL H192 . H192 . . H . . N 0 . . . . no no . . . . 0.477 . 0.541 . -5.556 . . . . 47 . 5331 RTL H193 . H193 . . H . . N 0 . . . . no no . . . . 0.333 . 1.105 . -3.938 . . . . 48 . 5331 RTL H201 . H201 . . H . . N 0 . . . . no no . . . . -4.849 . -3.919 . -3.097 . . . . 49 . 5331 RTL H202 . H202 . . H . . N 0 . . . . no no . . . . -3.405 . -3.218 . -4.082 . . . . 50 . 5331 RTL H203 . H203 . . H . . N 0 . . . . no no . . . . -3.516 . -2.722 . -2.516 . . . . 51 . 5331 RTL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 5331 RTL 2 . SING C1 C6 no N 2 . 5331 RTL 3 . SING C1 C16 no N 3 . 5331 RTL 4 . SING C1 C17 no N 4 . 5331 RTL 5 . SING C2 C3 no N 5 . 5331 RTL 6 . SING C2 H21 no N 6 . 5331 RTL 7 . SING C2 H22 no N 7 . 5331 RTL 8 . SING C3 C4 no N 8 . 5331 RTL 9 . SING C3 H31 no N 9 . 5331 RTL 10 . SING C3 H32 no N 10 . 5331 RTL 11 . SING C4 C5 no N 11 . 5331 RTL 12 . SING C4 H41 no N 12 . 5331 RTL 13 . SING C4 H42 no N 13 . 5331 RTL 14 . DOUB C5 C6 no N 14 . 5331 RTL 15 . SING C5 C18 no N 15 . 5331 RTL 16 . SING C6 C7 no N 16 . 5331 RTL 17 . DOUB C7 C8 no E 17 . 5331 RTL 18 . SING C7 H7 no N 18 . 5331 RTL 19 . SING C8 C9 no N 19 . 5331 RTL 20 . SING C8 H8 no N 20 . 5331 RTL 21 . DOUB C9 C10 no E 21 . 5331 RTL 22 . SING C9 C19 no N 22 . 5331 RTL 23 . SING C10 C11 no N 23 . 5331 RTL 24 . SING C10 H10 no N 24 . 5331 RTL 25 . DOUB C11 C12 no E 25 . 5331 RTL 26 . SING C11 H11 no N 26 . 5331 RTL 27 . SING C12 C13 no N 27 . 5331 RTL 28 . SING C12 H12 no N 28 . 5331 RTL 29 . DOUB C13 C14 no E 29 . 5331 RTL 30 . SING C13 C20 no N 30 . 5331 RTL 31 . SING C14 C15 no N 31 . 5331 RTL 32 . SING C14 H14 no N 32 . 5331 RTL 33 . SING C15 O1 no N 33 . 5331 RTL 34 . SING C15 H151 no N 34 . 5331 RTL 35 . SING C15 H152 no N 35 . 5331 RTL 36 . SING O1 HO1 no N 36 . 5331 RTL 37 . SING C16 H161 no N 37 . 5331 RTL 38 . SING C16 H162 no N 38 . 5331 RTL 39 . SING C16 H163 no N 39 . 5331 RTL 40 . SING C17 H171 no N 40 . 5331 RTL 41 . SING C17 H172 no N 41 . 5331 RTL 42 . SING C17 H173 no N 42 . 5331 RTL 43 . SING C18 H181 no N 43 . 5331 RTL 44 . SING C18 H182 no N 44 . 5331 RTL 45 . SING C18 H183 no N 45 . 5331 RTL 46 . SING C19 H191 no N 46 . 5331 RTL 47 . SING C19 H192 no N 47 . 5331 RTL 48 . SING C19 H193 no N 48 . 5331 RTL 49 . SING C20 H201 no N 49 . 5331 RTL 50 . SING C20 H202 no N 50 . 5331 RTL 51 . SING C20 H203 no N 51 . 5331 RTL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5331 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cellular retinol-binding protein type I' [U-15N] . . 1 $CRBP-I . . 1.6 . . mM . . . . 5331 1 2 RETINOL . . . 2 $RTL . . 1.6 . . mM . . . . 5331 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 5331 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 5331 1 temperature 298 0.1 K 5331 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5331 _Software.ID 1 _Software.Name XWINNMR _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 5331 1 'data processing' 5331 1 stop_ save_ save_RMX _Software.Sf_category software _Software.Sf_framecode RMX _Software.Entry_ID 5331 _Software.ID 2 _Software.Name RMX _Software.Version 'rev. II/1997' _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5331 2 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 5331 _Software.ID 3 _Software.Name MODELFREE _Software.Version 4.01 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5331 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 5331 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5331 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5331 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 500 . . . 5331 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5331 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 5331 _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 '15N T1' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 5331 1 2 '15N T2' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 5331 1 3 '{1H}-15N NOE' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 5331 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5331 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N T1' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5331 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N T2' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5331 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '{1H}-15N NOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500 _Heteronucl_NOE_list.Entry_ID 5331 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_set_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5331 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 . . . 3 3 VAL . . . . . . 3 3 VAL . . . 0.263 0.050 . . . . . . . . . . 5331 1 2 . . . 4 4 ASP . . . . . . 4 4 ASP . . . 0.399 0.050 . . . . . . . . . . 5331 1 3 . . . 5 5 PHE . . . . . . 5 5 PHE . . . 0.759 0.050 . . . . . . . . . . 5331 1 4 . . . 6 6 ASN . . . . . . 6 6 ASN . . . 0.796 0.050 . . . . . . . . . . 5331 1 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.743 0.050 . . . . . . . . . . 5331 1 6 . . . 8 8 TYR . . . . . . 8 8 TYR . . . 0.765 0.050 . . . . . . . . . . 5331 1 7 . . . 9 9 TRP . . . . . . 9 9 TRP . . . 0.785 0.050 . . . . . . . . . . 5331 1 8 . . . 10 10 LYS . . . . . . 10 10 LYS . . . 0.727 0.050 . . . . . . . . . . 5331 1 9 . . . 11 11 MET . . . . . . 11 11 MET . . . 0.834 0.050 . . . . . . . . . . 5331 1 10 . . . 13 13 SER . . . . . . 13 13 SER . . . 0.807 0.050 . . . . . . . . . . 5331 1 11 . . . 15 15 GLU . . . . . . 15 15 GLU . . . 0.739 0.050 . . . . . . . . . . 5331 1 12 . . . 16 16 ASN . . . . . . 16 16 ASN . . . 0.796 0.050 . . . . . . . . . . 5331 1 13 . . . 18 18 GLU . . . . . . 18 18 GLU . . . 0.795 0.050 . . . . . . . . . . 5331 1 14 . . . 19 19 GLU . . . . . . 19 19 GLU . . . 0.777 0.050 . . . . . . . . . . 5331 1 15 . . . 20 20 TYR . . . . . . 20 20 TYR . . . 0.791 0.050 . . . . . . . . . . 5331 1 16 . . . 21 21 LEU . . . . . . 21 21 LEU . . . 0.751 0.050 . . . . . . . . . . 5331 1 17 . . . 22 22 ARG . . . . . . 22 22 ARG . . . 0.820 0.050 . . . . . . . . . . 5331 1 18 . . . 23 23 ALA . . . . . . 23 23 ALA . . . 0.817 0.050 . . . . . . . . . . 5331 1 19 . . . 24 24 LEU . . . . . . 24 24 LEU . . . 0.757 0.050 . . . . . . . . . . 5331 1 20 . . . 25 25 ASP . . . . . . 25 25 ASP . . . 0.782 0.050 . . . . . . . . . . 5331 1 21 . . . 26 26 VAL . . . . . . 26 26 VAL . . . 0.742 0.050 . . . . . . . . . . 5331 1 22 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.686 0.050 . . . . . . . . . . 5331 1 23 . . . 28 28 VAL . . . . . . 28 28 VAL . . . 0.740 0.050 . . . . . . . . . . 5331 1 24 . . . 29 29 ALA . . . . . . 29 29 ALA . . . 0.790 0.050 . . . . . . . . . . 5331 1 25 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.798 0.050 . . . . . . . . . . 5331 1 26 . . . 31 31 ARG . . . . . . 31 31 ARG . . . 0.769 0.050 . . . . . . . . . . 5331 1 27 . . . 32 32 LYS . . . . . . 32 32 LYS . . . 0.742 0.050 . . . . . . . . . . 5331 1 28 . . . 33 33 ILE . . . . . . 33 33 ILE . . . 0.731 0.050 . . . . . . . . . . 5331 1 29 . . . 34 34 ALA . . . . . . 34 34 ALA . . . 0.804 0.050 . . . . . . . . . . 5331 1 30 . . . 35 35 ASN . . . . . . 35 35 ASN . . . 0.796 0.050 . . . . . . . . . . 5331 1 31 . . . 36 36 LEU . . . . . . 36 36 LEU . . . 0.705 0.050 . . . . . . . . . . 5331 1 32 . . . 37 37 LEU . . . . . . 37 37 LEU . . . 0.753 0.050 . . . . . . . . . . 5331 1 33 . . . 40 40 ASP . . . . . . 40 40 ASP . . . 0.754 0.050 . . . . . . . . . . 5331 1 34 . . . 41 41 LYS . . . . . . 41 41 LYS . . . 0.802 0.050 . . . . . . . . . . 5331 1 35 . . . 42 42 GLU . . . . . . 42 42 GLU . . . 0.793 0.050 . . . . . . . . . . 5331 1 36 . . . 43 43 ILE . . . . . . 43 43 ILE . . . 0.840 0.050 . . . . . . . . . . 5331 1 37 . . . 44 44 VAL . . . . . . 44 44 VAL . . . 0.813 0.050 . . . . . . . . . . 5331 1 38 . . . 45 45 GLN . . . . . . 45 45 GLN . . . 0.792 0.050 . . . . . . . . . . 5331 1 39 . . . 46 46 ASP . . . . . . 46 46 ASP . . . 0.807 0.050 . . . . . . . . . . 5331 1 40 . . . 47 47 GLY . . . . . . 47 47 GLY . . . 0.693 0.050 . . . . . . . . . . 5331 1 41 . . . 49 49 HIS . . . . . . 49 49 HIS . . . 0.786 0.050 . . . . . . . . . . 5331 1 42 . . . 50 50 MET . . . . . . 50 50 MET . . . 0.782 0.050 . . . . . . . . . . 5331 1 43 . . . 51 51 ILE . . . . . . 51 51 ILE . . . 0.780 0.050 . . . . . . . . . . 5331 1 44 . . . 52 52 ILE . . . . . . 52 52 ILE . . . 0.804 0.050 . . . . . . . . . . 5331 1 45 . . . 53 53 ARG . . . . . . 53 53 ARG . . . 0.798 0.050 . . . . . . . . . . 5331 1 46 . . . 54 54 THR . . . . . . 54 54 THR . . . 0.722 0.050 . . . . . . . . . . 5331 1 47 . . . 55 55 LEU . . . . . . 55 55 LEU . . . 0.770 0.050 . . . . . . . . . . 5331 1 48 . . . 56 56 SER . . . . . . 56 56 SER . . . 0.800 0.050 . . . . . . . . . . 5331 1 49 . . . 57 57 THR . . . . . . 57 57 THR . . . 0.835 0.050 . . . . . . . . . . 5331 1 50 . . . 58 58 PHE . . . . . . 58 58 PHE . . . 0.690 0.050 . . . . . . . . . . 5331 1 51 . . . 59 59 ARG . . . . . . 59 59 ARG . . . 0.724 0.050 . . . . . . . . . . 5331 1 52 . . . 60 60 ASN . . . . . . 60 60 ASN . . . 0.750 0.050 . . . . . . . . . . 5331 1 53 . . . 61 61 TYR . . . . . . 61 61 TYR . . . 0.808 0.050 . . . . . . . . . . 5331 1 54 . . . 62 62 ILE . . . . . . 62 62 ILE . . . 0.778 0.050 . . . . . . . . . . 5331 1 55 . . . 63 63 MET . . . . . . 63 63 MET . . . 0.774 0.050 . . . . . . . . . . 5331 1 56 . . . 64 64 ASP . . . . . . 64 64 ASP . . . 0.724 0.050 . . . . . . . . . . 5331 1 57 . . . 66 66 GLN . . . . . . 66 66 GLN . . . 0.775 0.050 . . . . . . . . . . 5331 1 58 . . . 67 67 VAL . . . . . . 67 67 VAL . . . 0.788 0.050 . . . . . . . . . . 5331 1 59 . . . 68 68 GLY . . . . . . 68 68 GLY . . . 0.769 0.050 . . . . . . . . . . 5331 1 60 . . . 69 69 LYS . . . . . . 69 69 LYS . . . 0.835 0.050 . . . . . . . . . . 5331 1 61 . . . 70 70 GLU . . . . . . 70 70 GLU . . . 0.729 0.050 . . . . . . . . . . 5331 1 62 . . . 71 71 PHE . . . . . . 71 71 PHE . . . 0.849 0.050 . . . . . . . . . . 5331 1 63 . . . 72 72 GLU . . . . . . 72 72 GLU . . . 0.745 0.050 . . . . . . . . . . 5331 1 64 . . . 73 73 GLU . . . . . . 73 73 GLU . . . 0.828 0.050 . . . . . . . . . . 5331 1 65 . . . 74 74 ASP . . . . . . 74 74 ASP . . . 0.760 0.050 . . . . . . . . . . 5331 1 66 . . . 75 75 LEU . . . . . . 75 75 LEU . . . 0.840 0.050 . . . . . . . . . . 5331 1 67 . . . 76 76 THR . . . . . . 76 76 THR . . . 0.794 0.050 . . . . . . . . . . 5331 1 68 . . . 78 78 ILE . . . . . . 78 78 ILE . . . 0.771 0.050 . . . . . . . . . . 5331 1 69 . . . 79 79 ASP . . . . . . 79 79 ASP . . . 0.744 0.050 . . . . . . . . . . 5331 1 70 . . . 81 81 ARG . . . . . . 81 81 ARG . . . 0.796 0.050 . . . . . . . . . . 5331 1 71 . . . 84 84 MET . . . . . . 84 84 MET . . . 0.808 0.050 . . . . . . . . . . 5331 1 72 . . . 85 85 THR . . . . . . 85 85 THR . . . 0.828 0.050 . . . . . . . . . . 5331 1 73 . . . 86 86 THR . . . . . . 86 86 THR . . . 0.743 0.050 . . . . . . . . . . 5331 1 74 . . . 87 87 VAL . . . . . . 87 87 VAL . . . 0.770 0.050 . . . . . . . . . . 5331 1 75 . . . 88 88 SER . . . . . . 88 88 SER . . . 0.806 0.050 . . . . . . . . . . 5331 1 76 . . . 89 89 TRP . . . . . . 89 89 TRP . . . 0.720 0.050 . . . . . . . . . . 5331 1 77 . . . 90 90 ASP . . . . . . 90 90 ASP . . . 0.853 0.050 . . . . . . . . . . 5331 1 78 . . . 91 91 GLY . . . . . . 91 91 GLY . . . 0.866 0.050 . . . . . . . . . . 5331 1 79 . . . 92 92 ASP . . . . . . 92 92 ASP . . . 0.798 0.050 . . . . . . . . . . 5331 1 80 . . . 94 94 LEU . . . . . . 94 94 LEU . . . 0.683 0.050 . . . . . . . . . . 5331 1 81 . . . 96 96 CYS . . . . . . 96 96 CYS . . . 0.838 0.050 . . . . . . . . . . 5331 1 82 . . . 97 97 VAL . . . . . . 97 97 VAL . . . 0.786 0.050 . . . . . . . . . . 5331 1 83 . . . 98 98 GLN . . . . . . 98 98 GLN . . . 0.824 0.050 . . . . . . . . . . 5331 1 84 . . . 99 99 LYS . . . . . . 99 99 LYS . . . 0.798 0.050 . . . . . . . . . . 5331 1 85 . . . 100 100 GLY . . . . . . 100 100 GLY . . . 0.772 0.050 . . . . . . . . . . 5331 1 86 . . . 101 101 GLU . . . . . . 101 101 GLU . . . 0.745 0.050 . . . . . . . . . . 5331 1 87 . . . 102 102 LYS . . . . . . 102 102 LYS . . . 0.794 0.050 . . . . . . . . . . 5331 1 88 . . . 103 103 GLU . . . . . . 103 103 GLU . . . 0.740 0.050 . . . . . . . . . . 5331 1 89 . . . 104 104 GLY . . . . . . 104 104 GLY . . . 0.742 0.050 . . . . . . . . . . 5331 1 90 . . . 105 105 ARG . . . . . . 105 105 ARG . . . 0.826 0.050 . . . . . . . . . . 5331 1 91 . . . 107 107 TRP . . . . . . 107 107 TRP . . . 0.795 0.050 . . . . . . . . . . 5331 1 92 . . . 108 108 THR . . . . . . 108 108 THR . . . 0.772 0.050 . . . . . . . . . . 5331 1 93 . . . 109 109 GLN . . . . . . 109 109 GLN . . . 0.824 0.050 . . . . . . . . . . 5331 1 94 . . . 110 110 TRP . . . . . . 110 110 TRP . . . 0.833 0.050 . . . . . . . . . . 5331 1 95 . . . 111 111 ILE . . . . . . 111 111 ILE . . . 0.851 0.050 . . . . . . . . . . 5331 1 96 . . . 112 112 GLU . . . . . . 112 112 GLU . . . 0.741 0.050 . . . . . . . . . . 5331 1 97 . . . 113 113 GLY . . . . . . 113 113 GLY . . . 0.784 0.050 . . . . . . . . . . 5331 1 98 . . . 114 114 ASP . . . . . . 114 114 ASP . . . 0.758 0.050 . . . . . . . . . . 5331 1 99 . . . 115 115 GLU . . . . . . 115 115 GLU . . . 0.745 0.050 . . . . . . . . . . 5331 1 100 . . . 116 116 LEU . . . . . . 116 116 LEU . . . 0.824 0.050 . . . . . . . . . . 5331 1 101 . . . 117 117 HIS . . . . . . 117 117 HIS . . . 0.815 0.050 . . . . . . . . . . 5331 1 102 . . . 118 118 LEU . . . . . . 118 118 LEU . . . 0.843 0.050 . . . . . . . . . . 5331 1 103 . . . 119 119 GLU . . . . . . 119 119 GLU . . . 0.759 0.050 . . . . . . . . . . 5331 1 104 . . . 120 120 MET . . . . . . 120 120 MET . . . 0.814 0.050 . . . . . . . . . . 5331 1 105 . . . 121 121 ARG . . . . . . 121 121 ARG . . . 0.854 0.050 . . . . . . . . . . 5331 1 106 . . . 122 122 ALA . . . . . . 122 122 ALA . . . 0.779 0.050 . . . . . . . . . . 5331 1 107 . . . 123 123 GLU . . . . . . 123 123 GLU . . . 0.758 0.050 . . . . . . . . . . 5331 1 108 . . . 124 124 GLY . . . . . . 124 124 GLY . . . 0.759 0.050 . . . . . . . . . . 5331 1 109 . . . 125 125 VAL . . . . . . 125 125 VAL . . . 0.800 0.050 . . . . . . . . . . 5331 1 110 . . . 127 127 CYS . . . . . . 127 127 CYS . . . 0.788 0.050 . . . . . . . . . . 5331 1 111 . . . 128 128 LYS . . . . . . 128 128 LYS . . . 0.762 0.050 . . . . . . . . . . 5331 1 112 . . . 130 130 VAL . . . . . . 130 130 VAL . . . 0.819 0.050 . . . . . . . . . . 5331 1 113 . . . 131 131 PHE . . . . . . 131 131 PHE . . . 0.821 0.050 . . . . . . . . . . 5331 1 114 . . . 132 132 LYS . . . . . . 132 132 LYS . . . 0.807 0.050 . . . . . . . . . . 5331 1 115 . . . 133 133 LYS . . . . . . 133 133 LYS . . . 0.737 0.050 . . . . . . . . . . 5331 1 116 . . . 134 134 VAL . . . . . . 134 134 VAL . . . 0.706 0.050 . . . . . . . . . . 5331 1 117 . . . 135 135 HIS . . . . . . 135 135 HIS . . . 0.596 0.050 . . . . . . . . . . 5331 1 stop_ save_ save_heteronuclear_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600 _Heteronucl_NOE_list.Entry_ID 5331 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_set_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5331 2 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 . . . 3 3 VAL . . . . . . 3 3 VAL . . . 0.343 0.050 . . . . . . . . . . 5331 2 2 . . . 4 4 ASP . . . . . . 4 4 ASP . . . 0.585 0.050 . . . . . . . . . . 5331 2 3 . . . 5 5 PHE . . . . . . 5 5 PHE . . . 0.775 0.050 . . . . . . . . . . 5331 2 4 . . . 6 6 ASN . . . . . . 6 6 ASN . . . 0.856 0.050 . . . . . . . . . . 5331 2 5 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.833 0.050 . . . . . . . . . . 5331 2 6 . . . 8 8 TYR . . . . . . 8 8 TYR . . . 0.808 0.050 . . . . . . . . . . 5331 2 7 . . . 9 9 TRP . . . . . . 9 9 TRP . . . 0.839 0.050 . . . . . . . . . . 5331 2 8 . . . 10 10 LYS . . . . . . 10 10 LYS . . . 0.794 0.050 . . . . . . . . . . 5331 2 9 . . . 11 11 MET . . . . . . 11 11 MET . . . 0.782 0.050 . . . . . . . . . . 5331 2 10 . . . 13 13 SER . . . . . . 13 13 SER . . . 0.813 0.050 . . . . . . . . . . 5331 2 11 . . . 15 15 GLU . . . . . . 15 15 GLU . . . 0.785 0.050 . . . . . . . . . . 5331 2 12 . . . 16 16 ASN . . . . . . 16 16 ASN . . . 0.841 0.050 . . . . . . . . . . 5331 2 13 . . . 18 18 GLU . . . . . . 18 18 GLU . . . 0.813 0.050 . . . . . . . . . . 5331 2 14 . . . 19 19 GLU . . . . . . 19 19 GLU . . . 0.807 0.050 . . . . . . . . . . 5331 2 15 . . . 20 20 TYR . . . . . . 20 20 TYR . . . 0.862 0.050 . . . . . . . . . . 5331 2 16 . . . 21 21 LEU . . . . . . 21 21 LEU . . . 0.833 0.050 . . . . . . . . . . 5331 2 17 . . . 22 22 ARG . . . . . . 22 22 ARG . . . 0.846 0.050 . . . . . . . . . . 5331 2 18 . . . 23 23 ALA . . . . . . 23 23 ALA . . . 0.835 0.050 . . . . . . . . . . 5331 2 19 . . . 24 24 LEU . . . . . . 24 24 LEU . . . 0.805 0.050 . . . . . . . . . . 5331 2 20 . . . 25 25 ASP . . . . . . 25 25 ASP . . . 0.828 0.050 . . . . . . . . . . 5331 2 21 . . . 26 26 VAL . . . . . . 26 26 VAL . . . 0.810 0.050 . . . . . . . . . . 5331 2 22 . . . 27 27 ASN . . . . . . 27 27 ASN . . . 0.763 0.050 . . . . . . . . . . 5331 2 23 . . . 28 28 VAL . . . . . . 28 28 VAL . . . 0.793 0.050 . . . . . . . . . . 5331 2 24 . . . 29 29 ALA . . . . . . 29 29 ALA . . . 0.761 0.050 . . . . . . . . . . 5331 2 25 . . . 30 30 LEU . . . . . . 30 30 LEU . . . 0.792 0.050 . . . . . . . . . . 5331 2 26 . . . 31 31 ARG . . . . . . 31 31 ARG . . . 0.804 0.050 . . . . . . . . . . 5331 2 27 . . . 32 32 LYS . . . . . . 32 32 LYS . . . 0.783 0.050 . . . . . . . . . . 5331 2 28 . . . 33 33 ILE . . . . . . 33 33 ILE . . . 0.777 0.050 . . . . . . . . . . 5331 2 29 . . . 34 34 ALA . . . . . . 34 34 ALA . . . 0.819 0.050 . . . . . . . . . . 5331 2 30 . . . 35 35 ASN . . . . . . 35 35 ASN . . . 0.791 0.050 . . . . . . . . . . 5331 2 31 . . . 36 36 LEU . . . . . . 36 36 LEU . . . 0.737 0.050 . . . . . . . . . . 5331 2 32 . . . 37 37 LEU . . . . . . 37 37 LEU . . . 0.757 0.050 . . . . . . . . . . 5331 2 33 . . . 40 40 ASP . . . . . . 40 40 ASP . . . 0.777 0.050 . . . . . . . . . . 5331 2 34 . . . 41 41 LYS . . . . . . 41 41 LYS . . . 0.864 0.050 . . . . . . . . . . 5331 2 35 . . . 42 42 GLU . . . . . . 42 42 GLU . . . 0.812 0.050 . . . . . . . . . . 5331 2 36 . . . 43 43 ILE . . . . . . 43 43 ILE . . . 0.814 0.050 . . . . . . . . . . 5331 2 37 . . . 44 44 VAL . . . . . . 44 44 VAL . . . 0.844 0.050 . . . . . . . . . . 5331 2 38 . . . 45 45 GLN . . . . . . 45 45 GLN . . . 0.811 0.050 . . . . . . . . . . 5331 2 39 . . . 46 46 ASP . . . . . . 46 46 ASP . . . 0.815 0.050 . . . . . . . . . . 5331 2 40 . . . 47 47 GLY . . . . . . 47 47 GLY . . . 0.782 0.050 . . . . . . . . . . 5331 2 41 . . . 49 49 HIS . . . . . . 49 49 HIS . . . 0.799 0.050 . . . . . . . . . . 5331 2 42 . . . 50 50 MET . . . . . . 50 50 MET . . . 0.779 0.050 . . . . . . . . . . 5331 2 43 . . . 51 51 ILE . . . . . . 51 51 ILE . . . 0.811 0.050 . . . . . . . . . . 5331 2 44 . . . 52 52 ILE . . . . . . 52 52 ILE . . . 0.827 0.050 . . . . . . . . . . 5331 2 45 . . . 53 53 ARG . . . . . . 53 53 ARG . . . 0.824 0.050 . . . . . . . . . . 5331 2 46 . . . 54 54 THR . . . . . . 54 54 THR . . . 0.819 0.050 . . . . . . . . . . 5331 2 47 . . . 55 55 LEU . . . . . . 55 55 LEU . . . 0.817 0.050 . . . . . . . . . . 5331 2 48 . . . 56 56 SER . . . . . . 56 56 SER . . . 0.807 0.050 . . . . . . . . . . 5331 2 49 . . . 57 57 THR . . . . . . 57 57 THR . . . 0.800 0.050 . . . . . . . . . . 5331 2 50 . . . 58 58 PHE . . . . . . 58 58 PHE . . . 0.753 0.050 . . . . . . . . . . 5331 2 51 . . . 59 59 ARG . . . . . . 59 59 ARG . . . 0.773 0.050 . . . . . . . . . . 5331 2 52 . . . 60 60 ASN . . . . . . 60 60 ASN . . . 0.819 0.050 . . . . . . . . . . 5331 2 53 . . . 61 61 TYR . . . . . . 61 61 TYR . . . 0.837 0.050 . . . . . . . . . . 5331 2 54 . . . 62 62 ILE . . . . . . 62 62 ILE . . . 0.851 0.050 . . . . . . . . . . 5331 2 55 . . . 63 63 MET . . . . . . 63 63 MET . . . 0.846 0.050 . . . . . . . . . . 5331 2 56 . . . 64 64 ASP . . . . . . 64 64 ASP . . . 0.812 0.050 . . . . . . . . . . 5331 2 57 . . . 66 66 GLN . . . . . . 66 66 GLN . . . 0.815 0.050 . . . . . . . . . . 5331 2 58 . . . 67 67 VAL . . . . . . 67 67 VAL . . . 0.806 0.050 . . . . . . . . . . 5331 2 59 . . . 68 68 GLY . . . . . . 68 68 GLY . . . 0.833 0.050 . . . . . . . . . . 5331 2 60 . . . 69 69 LYS . . . . . . 69 69 LYS . . . 0.828 0.050 . . . . . . . . . . 5331 2 61 . . . 70 70 GLU . . . . . . 70 70 GLU . . . 0.806 0.050 . . . . . . . . . . 5331 2 62 . . . 71 71 PHE . . . . . . 71 71 PHE . . . 0.829 0.050 . . . . . . . . . . 5331 2 63 . . . 72 72 GLU . . . . . . 72 72 GLU . . . 0.819 0.050 . . . . . . . . . . 5331 2 64 . . . 73 73 GLU . . . . . . 73 73 GLU . . . 0.821 0.050 . . . . . . . . . . 5331 2 65 . . . 74 74 ASP . . . . . . 74 74 ASP . . . 0.821 0.050 . . . . . . . . . . 5331 2 66 . . . 75 75 LEU . . . . . . 75 75 LEU . . . 0.816 0.050 . . . . . . . . . . 5331 2 67 . . . 76 76 THR . . . . . . 76 76 THR . . . 0.815 0.050 . . . . . . . . . . 5331 2 68 . . . 78 78 ILE . . . . . . 78 78 ILE . . . 0.837 0.050 . . . . . . . . . . 5331 2 69 . . . 79 79 ASP . . . . . . 79 79 ASP . . . 0.831 0.050 . . . . . . . . . . 5331 2 70 . . . 81 81 ARG . . . . . . 81 81 ARG . . . 0.822 0.050 . . . . . . . . . . 5331 2 71 . . . 83 83 CYS . . . . . . 83 83 CYS . . . 0.816 0.050 . . . . . . . . . . 5331 2 72 . . . 84 84 MET . . . . . . 84 84 MET . . . 0.845 0.050 . . . . . . . . . . 5331 2 73 . . . 85 85 THR . . . . . . 85 85 THR . . . 0.844 0.050 . . . . . . . . . . 5331 2 74 . . . 86 86 THR . . . . . . 86 86 THR . . . 0.815 0.050 . . . . . . . . . . 5331 2 75 . . . 87 87 VAL . . . . . . 87 87 VAL . . . 0.824 0.050 . . . . . . . . . . 5331 2 76 . . . 88 88 SER . . . . . . 88 88 SER . . . 0.828 0.050 . . . . . . . . . . 5331 2 77 . . . 89 89 TRP . . . . . . 89 89 TRP . . . 0.835 0.050 . . . . . . . . . . 5331 2 78 . . . 90 90 ASP . . . . . . 90 90 ASP . . . 0.837 0.050 . . . . . . . . . . 5331 2 79 . . . 91 91 GLY . . . . . . 91 91 GLY . . . 0.845 0.050 . . . . . . . . . . 5331 2 80 . . . 92 92 ASP . . . . . . 92 92 ASP . . . 0.790 0.050 . . . . . . . . . . 5331 2 81 . . . 94 94 LEU . . . . . . 94 94 LEU . . . 0.798 0.050 . . . . . . . . . . 5331 2 82 . . . 96 96 CYS . . . . . . 96 96 CYS . . . 0.839 0.050 . . . . . . . . . . 5331 2 83 . . . 97 97 VAL . . . . . . 97 97 VAL . . . 0.865 0.050 . . . . . . . . . . 5331 2 84 . . . 98 98 GLN . . . . . . 98 98 GLN . . . 0.814 0.050 . . . . . . . . . . 5331 2 85 . . . 99 99 LYS . . . . . . 99 99 LYS . . . 0.833 0.050 . . . . . . . . . . 5331 2 86 . . . 100 100 GLY . . . . . . 100 100 GLY . . . 0.819 0.050 . . . . . . . . . . 5331 2 87 . . . 101 101 GLU . . . . . . 101 101 GLU . . . 0.809 0.050 . . . . . . . . . . 5331 2 88 . . . 102 102 LYS . . . . . . 102 102 LYS . . . 0.802 0.050 . . . . . . . . . . 5331 2 89 . . . 103 103 GLU . . . . . . 103 103 GLU . . . 0.799 0.050 . . . . . . . . . . 5331 2 90 . . . 104 104 GLY . . . . . . 104 104 GLY . . . 0.843 0.050 . . . . . . . . . . 5331 2 91 . . . 105 105 ARG . . . . . . 105 105 ARG . . . 0.840 0.050 . . . . . . . . . . 5331 2 92 . . . 107 107 TRP . . . . . . 107 107 TRP . . . 0.868 0.050 . . . . . . . . . . 5331 2 93 . . . 108 108 THR . . . . . . 108 108 THR . . . 0.812 0.050 . . . . . . . . . . 5331 2 94 . . . 109 109 GLN . . . . . . 109 109 GLN . . . 0.828 0.050 . . . . . . . . . . 5331 2 95 . . . 110 110 TRP . . . . . . 110 110 TRP . . . 0.822 0.050 . . . . . . . . . . 5331 2 96 . . . 111 111 ILE . . . . . . 111 111 ILE . . . 0.806 0.050 . . . . . . . . . . 5331 2 97 . . . 112 112 GLU . . . . . . 112 112 GLU . . . 0.805 0.050 . . . . . . . . . . 5331 2 98 . . . 113 113 GLY . . . . . . 113 113 GLY . . . 0.812 0.050 . . . . . . . . . . 5331 2 99 . . . 114 114 ASP . . . . . . 114 114 ASP . . . 0.794 0.050 . . . . . . . . . . 5331 2 100 . . . 115 115 GLU . . . . . . 115 115 GLU . . . 0.792 0.050 . . . . . . . . . . 5331 2 101 . . . 116 116 LEU . . . . . . 116 116 LEU . . . 0.824 0.050 . . . . . . . . . . 5331 2 102 . . . 117 117 HIS . . . . . . 117 117 HIS . . . 0.817 0.050 . . . . . . . . . . 5331 2 103 . . . 118 118 LEU . . . . . . 118 118 LEU . . . 0.856 0.050 . . . . . . . . . . 5331 2 104 . . . 119 119 GLU . . . . . . 119 119 GLU . . . 0.830 0.050 . . . . . . . . . . 5331 2 105 . . . 120 120 MET . . . . . . 120 120 MET . . . 0.831 0.050 . . . . . . . . . . 5331 2 106 . . . 121 121 ARG . . . . . . 121 121 ARG . . . 0.840 0.050 . . . . . . . . . . 5331 2 107 . . . 122 122 ALA . . . . . . 122 122 ALA . . . 0.823 0.050 . . . . . . . . . . 5331 2 108 . . . 123 123 GLU . . . . . . 123 123 GLU . . . 0.835 0.050 . . . . . . . . . . 5331 2 109 . . . 124 124 GLY . . . . . . 124 124 GLY . . . 0.800 0.050 . . . . . . . . . . 5331 2 110 . . . 127 127 CYS . . . . . . 127 127 CYS . . . 0.816 0.050 . . . . . . . . . . 5331 2 111 . . . 128 128 LYS . . . . . . 128 128 LYS . . . 0.827 0.050 . . . . . . . . . . 5331 2 112 . . . 130 130 VAL . . . . . . 130 130 VAL . . . 0.809 0.050 . . . . . . . . . . 5331 2 113 . . . 131 131 PHE . . . . . . 131 131 PHE . . . 0.837 0.050 . . . . . . . . . . 5331 2 114 . . . 132 132 LYS . . . . . . 132 132 LYS . . . 0.816 0.050 . . . . . . . . . . 5331 2 115 . . . 133 133 LYS . . . . . . 133 133 LYS . . . 0.792 0.050 . . . . . . . . . . 5331 2 116 . . . 134 134 VAL . . . . . . 134 134 VAL . . . 0.782 0.050 . . . . . . . . . . 5331 2 117 . . . 135 135 HIS . . . . . . 135 135 HIS . . . 0.665 0.050 . . . . . . . . . . 5331 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_15N_T1_500 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_500 _Heteronucl_T1_list.Entry_ID 5331 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $cond_set_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _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 . . 1 $sample_1 . 5331 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 3 3 VAL N . . 0.663 0.024 . . . . . 5331 1 2 . 1 1 4 4 ASP N . . 0.656 0.034 . . . . . 5331 1 3 . 1 1 5 5 PHE N . . 0.537 0.040 . . . . . 5331 1 4 . 1 1 6 6 ASN N . . 0.597 0.008 . . . . . 5331 1 5 . 1 1 7 7 GLY N . . 0.584 0.008 . . . . . 5331 1 6 . 1 1 8 8 TYR N . . 0.583 0.007 . . . . . 5331 1 7 . 1 1 9 9 TRP N . . 0.578 0.011 . . . . . 5331 1 8 . 1 1 10 10 LYS N . . 0.598 0.014 . . . . . 5331 1 9 . 1 1 11 11 MET N . . 0.553 0.006 . . . . . 5331 1 10 . 1 1 13 13 SER N . . 0.607 0.008 . . . . . 5331 1 11 . 1 1 15 15 GLU N . . 0.655 0.010 . . . . . 5331 1 12 . 1 1 16 16 ASN N . . 0.567 0.007 . . . . . 5331 1 13 . 1 1 18 18 GLU N . . 0.581 0.008 . . . . . 5331 1 14 . 1 1 19 19 GLU N . . 0.581 0.008 . . . . . 5331 1 15 . 1 1 20 20 TYR N . . 0.555 0.006 . . . . . 5331 1 16 . 1 1 21 21 LEU N . . 0.549 0.007 . . . . . 5331 1 17 . 1 1 22 22 ARG N . . 0.554 0.011 . . . . . 5331 1 18 . 1 1 23 23 ALA N . . 0.534 0.008 . . . . . 5331 1 19 . 1 1 24 24 LEU N . . 0.577 0.006 . . . . . 5331 1 20 . 1 1 25 25 ASP N . . 0.542 0.006 . . . . . 5331 1 21 . 1 1 26 26 VAL N . . 0.551 0.007 . . . . . 5331 1 22 . 1 1 27 27 ASN N . . 0.587 0.014 . . . . . 5331 1 23 . 1 1 28 28 VAL N . . 0.585 0.007 . . . . . 5331 1 24 . 1 1 29 29 ALA N . . 0.567 0.007 . . . . . 5331 1 25 . 1 1 30 30 LEU N . . 0.591 0.006 . . . . . 5331 1 26 . 1 1 31 31 ARG N . . 0.569 0.008 . . . . . 5331 1 27 . 1 1 32 32 LYS N . . 0.580 0.007 . . . . . 5331 1 28 . 1 1 33 33 ILE N . . 0.595 0.006 . . . . . 5331 1 29 . 1 1 34 34 ALA N . . 0.563 0.009 . . . . . 5331 1 30 . 1 1 35 35 ASN N . . 0.582 0.006 . . . . . 5331 1 31 . 1 1 36 36 LEU N . . 0.581 0.006 . . . . . 5331 1 32 . 1 1 37 37 LEU N . . 0.597 0.006 . . . . . 5331 1 33 . 1 1 40 40 ASP N . . 0.585 0.009 . . . . . 5331 1 34 . 1 1 41 41 LYS N . . 0.588 0.007 . . . . . 5331 1 35 . 1 1 42 42 GLU N . . 0.593 0.006 . . . . . 5331 1 36 . 1 1 43 43 ILE N . . 0.580 0.019 . . . . . 5331 1 37 . 1 1 44 44 VAL N . . 0.580 0.006 . . . . . 5331 1 38 . 1 1 45 45 GLN N . . 0.593 0.012 . . . . . 5331 1 39 . 1 1 46 46 ASP N . . 0.597 0.010 . . . . . 5331 1 40 . 1 1 47 47 GLY N . . 0.596 0.025 . . . . . 5331 1 41 . 1 1 49 49 HIS N . . 0.587 0.012 . . . . . 5331 1 42 . 1 1 50 50 MET N . . 0.588 0.018 . . . . . 5331 1 43 . 1 1 51 51 ILE N . . 0.624 0.008 . . . . . 5331 1 44 . 1 1 52 52 ILE N . . 0.580 0.012 . . . . . 5331 1 45 . 1 1 53 53 ARG N . . 0.586 0.007 . . . . . 5331 1 46 . 1 1 54 54 THR N . . 0.578 0.013 . . . . . 5331 1 47 . 1 1 55 55 LEU N . . 0.555 0.010 . . . . . 5331 1 48 . 1 1 56 56 SER N . . 0.570 0.006 . . . . . 5331 1 49 . 1 1 58 58 PHE N . . 0.589 0.006 . . . . . 5331 1 50 . 1 1 59 59 ARG N . . 0.623 0.016 . . . . . 5331 1 51 . 1 1 60 60 ASN N . . 0.578 0.007 . . . . . 5331 1 52 . 1 1 61 61 TYR N . . 0.594 0.006 . . . . . 5331 1 53 . 1 1 62 62 ILE N . . 0.572 0.009 . . . . . 5331 1 54 . 1 1 63 63 MET N . . 0.586 0.013 . . . . . 5331 1 55 . 1 1 64 64 ASP N . . 0.625 0.013 . . . . . 5331 1 56 . 1 1 66 66 GLN N . . 0.596 0.007 . . . . . 5331 1 57 . 1 1 67 67 VAL N . . 0.571 0.010 . . . . . 5331 1 58 . 1 1 68 68 GLY N . . 0.569 0.011 . . . . . 5331 1 59 . 1 1 69 69 LYS N . . 0.594 0.011 . . . . . 5331 1 60 . 1 1 70 70 GLU N . . 0.611 0.012 . . . . . 5331 1 61 . 1 1 71 71 PHE N . . 0.554 0.016 . . . . . 5331 1 62 . 1 1 72 72 GLU N . . 0.592 0.007 . . . . . 5331 1 63 . 1 1 73 73 GLU N . . 0.566 0.009 . . . . . 5331 1 64 . 1 1 74 74 ASP N . . 0.611 0.009 . . . . . 5331 1 65 . 1 1 75 75 LEU N . . 0.592 0.015 . . . . . 5331 1 66 . 1 1 76 76 THR N . . 0.581 0.016 . . . . . 5331 1 67 . 1 1 78 78 ILE N . . 0.570 0.013 . . . . . 5331 1 68 . 1 1 79 79 ASP N . . 0.597 0.014 . . . . . 5331 1 69 . 1 1 81 81 ARG N . . 0.652 0.017 . . . . . 5331 1 70 . 1 1 83 83 CYS N . . 0.576 0.010 . . . . . 5331 1 71 . 1 1 84 84 MET N . . 0.585 0.011 . . . . . 5331 1 72 . 1 1 85 85 THR N . . 0.560 0.010 . . . . . 5331 1 73 . 1 1 86 86 THR N . . 0.576 0.013 . . . . . 5331 1 74 . 1 1 87 87 VAL N . . 0.558 0.020 . . . . . 5331 1 75 . 1 1 88 88 SER N . . 0.603 0.012 . . . . . 5331 1 76 . 1 1 89 89 TRP N . . 0.584 0.029 . . . . . 5331 1 77 . 1 1 90 90 ASP N . . 0.569 0.019 . . . . . 5331 1 78 . 1 1 91 91 GLY N . . 0.593 0.025 . . . . . 5331 1 79 . 1 1 92 92 ASP N . . 0.582 0.017 . . . . . 5331 1 80 . 1 1 94 94 LEU N . . 0.568 0.028 . . . . . 5331 1 81 . 1 1 96 96 CYS N . . 0.594 0.022 . . . . . 5331 1 82 . 1 1 97 97 VAL N . . 0.561 0.011 . . . . . 5331 1 83 . 1 1 98 98 GLN N . . 0.577 0.013 . . . . . 5331 1 84 . 1 1 99 99 LYS N . . 0.584 0.011 . . . . . 5331 1 85 . 1 1 100 100 GLY N . . 0.581 0.015 . . . . . 5331 1 86 . 1 1 101 101 GLU N . . 0.553 0.012 . . . . . 5331 1 87 . 1 1 102 102 LYS N . . 0.597 0.015 . . . . . 5331 1 88 . 1 1 103 103 GLU N . . 0.627 0.011 . . . . . 5331 1 89 . 1 1 104 104 GLY N . . 0.589 0.007 . . . . . 5331 1 90 . 1 1 105 105 ARG N . . 0.596 0.016 . . . . . 5331 1 91 . 1 1 107 107 TRP N . . 0.575 0.014 . . . . . 5331 1 92 . 1 1 108 108 THR N . . 0.609 0.013 . . . . . 5331 1 93 . 1 1 109 109 GLN N . . 0.581 0.008 . . . . . 5331 1 94 . 1 1 110 110 TRP N . . 0.602 0.020 . . . . . 5331 1 95 . 1 1 111 111 ILE N . . 0.570 0.024 . . . . . 5331 1 96 . 1 1 112 112 GLU N . . 0.601 0.007 . . . . . 5331 1 97 . 1 1 113 113 GLY N . . 0.591 0.015 . . . . . 5331 1 98 . 1 1 114 114 ASP N . . 0.601 0.009 . . . . . 5331 1 99 . 1 1 115 115 GLU N . . 0.581 0.008 . . . . . 5331 1 100 . 1 1 116 116 LEU N . . 0.583 0.015 . . . . . 5331 1 101 . 1 1 117 117 HIS N . . 0.605 0.011 . . . . . 5331 1 102 . 1 1 118 118 LEU N . . 0.591 0.019 . . . . . 5331 1 103 . 1 1 119 119 GLU N . . 0.590 0.014 . . . . . 5331 1 104 . 1 1 120 120 MET N . . 0.603 0.009 . . . . . 5331 1 105 . 1 1 121 121 ARG N . . 0.569 0.009 . . . . . 5331 1 106 . 1 1 122 122 ALA N . . 0.569 0.007 . . . . . 5331 1 107 . 1 1 123 123 GLU N . . 0.562 0.006 . . . . . 5331 1 108 . 1 1 124 124 GLY N . . 0.579 0.006 . . . . . 5331 1 109 . 1 1 125 125 VAL N . . 0.555 0.007 . . . . . 5331 1 110 . 1 1 127 127 CYS N . . 0.568 0.013 . . . . . 5331 1 111 . 1 1 128 128 LYS N . . 0.604 0.008 . . . . . 5331 1 112 . 1 1 130 130 VAL N . . 0.604 0.013 . . . . . 5331 1 113 . 1 1 131 131 PHE N . . 0.593 0.011 . . . . . 5331 1 114 . 1 1 132 132 LYS N . . 0.602 0.007 . . . . . 5331 1 115 . 1 1 133 133 LYS N . . 0.554 0.006 . . . . . 5331 1 116 . 1 1 134 134 VAL N . . 0.560 0.008 . . . . . 5331 1 117 . 1 1 135 135 HIS N . . 0.661 0.028 . . . . . 5331 1 stop_ save_ save_15N_T1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_600 _Heteronucl_T1_list.Entry_ID 5331 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $cond_set_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _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 . . 1 $sample_1 . 5331 2 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 3 3 VAL N . . 0.756 0.021 . . . . . 5331 2 2 . 1 1 4 4 ASP N . . 0.775 0.015 . . . . . 5331 2 3 . 1 1 5 5 PHE N . . 0.766 0.038 . . . . . 5331 2 4 . 1 1 6 6 ASN N . . 0.721 0.033 . . . . . 5331 2 5 . 1 1 7 7 GLY N . . 0.729 0.007 . . . . . 5331 2 6 . 1 1 8 8 TYR N . . 0.736 0.008 . . . . . 5331 2 7 . 1 1 9 9 TRP N . . 0.719 0.007 . . . . . 5331 2 8 . 1 1 10 10 LYS N . . 0.737 0.008 . . . . . 5331 2 9 . 1 1 11 11 MET N . . 0.692 0.007 . . . . . 5331 2 10 . 1 1 13 13 SER N . . 0.752 0.007 . . . . . 5331 2 11 . 1 1 15 15 GLU N . . 0.796 0.008 . . . . . 5331 2 12 . 1 1 16 16 ASN N . . 0.713 0.012 . . . . . 5331 2 13 . 1 1 18 18 GLU N . . 0.717 0.007 . . . . . 5331 2 14 . 1 1 19 19 GLU N . . 0.719 0.007 . . . . . 5331 2 15 . 1 1 20 20 TYR N . . 0.696 0.007 . . . . . 5331 2 16 . 1 1 21 21 LEU N . . 0.682 0.007 . . . . . 5331 2 17 . 1 1 22 22 ARG N . . 0.682 0.007 . . . . . 5331 2 18 . 1 1 23 23 ALA N . . 0.684 0.041 . . . . . 5331 2 19 . 1 1 24 24 LEU N . . 0.736 0.008 . . . . . 5331 2 20 . 1 1 25 25 ASP N . . 0.672 0.007 . . . . . 5331 2 21 . 1 1 26 26 VAL N . . 0.692 0.007 . . . . . 5331 2 22 . 1 1 27 27 ASN N . . 0.727 0.007 . . . . . 5331 2 23 . 1 1 28 28 VAL N . . 0.738 0.008 . . . . . 5331 2 24 . 1 1 29 29 ALA N . . 0.698 0.007 . . . . . 5331 2 25 . 1 1 30 30 LEU N . . 0.735 0.008 . . . . . 5331 2 26 . 1 1 31 31 ARG N . . 0.710 0.007 . . . . . 5331 2 27 . 1 1 32 32 LYS N . . 0.719 0.007 . . . . . 5331 2 28 . 1 1 33 33 ILE N . . 0.735 0.008 . . . . . 5331 2 29 . 1 1 34 34 ALA N . . 0.716 0.007 . . . . . 5331 2 30 . 1 1 35 35 ASN N . . 0.723 0.007 . . . . . 5331 2 31 . 1 1 36 36 LEU N . . 0.725 0.008 . . . . . 5331 2 32 . 1 1 37 37 LEU N . . 0.720 0.007 . . . . . 5331 2 33 . 1 1 40 40 ASP N . . 0.736 0.008 . . . . . 5331 2 34 . 1 1 41 41 LYS N . . 0.734 0.008 . . . . . 5331 2 35 . 1 1 42 42 GLU N . . 0.754 0.007 . . . . . 5331 2 36 . 1 1 43 43 ILE N . . 0.716 0.007 . . . . . 5331 2 37 . 1 1 44 44 VAL N . . 0.743 0.007 . . . . . 5331 2 38 . 1 1 45 45 GLN N . . 0.733 0.008 . . . . . 5331 2 39 . 1 1 46 46 ASP N . . 0.747 0.008 . . . . . 5331 2 40 . 1 1 47 47 GLY N . . 0.729 0.010 . . . . . 5331 2 41 . 1 1 49 49 HIS N . . 0.735 0.011 . . . . . 5331 2 42 . 1 1 50 50 MET N . . 0.716 0.010 . . . . . 5331 2 43 . 1 1 51 51 ILE N . . 0.758 0.007 . . . . . 5331 2 44 . 1 1 52 52 ILE N . . 0.736 0.009 . . . . . 5331 2 45 . 1 1 53 53 ARG N . . 0.727 0.009 . . . . . 5331 2 46 . 1 1 54 54 THR N . . 0.730 0.009 . . . . . 5331 2 47 . 1 1 55 55 LEU N . . 0.715 0.008 . . . . . 5331 2 48 . 1 1 56 56 SER N . . 0.714 0.007 . . . . . 5331 2 49 . 1 1 57 57 THR N . . 0.679 0.017 . . . . . 5331 2 50 . 1 1 58 58 PHE N . . 0.720 0.005 . . . . . 5331 2 51 . 1 1 59 59 ARG N . . 0.747 0.007 . . . . . 5331 2 52 . 1 1 60 60 ASN N . . 0.720 0.007 . . . . . 5331 2 53 . 1 1 61 61 TYR N . . 0.739 0.008 . . . . . 5331 2 54 . 1 1 62 62 ILE N . . 0.719 0.008 . . . . . 5331 2 55 . 1 1 63 63 MET N . . 0.718 0.009 . . . . . 5331 2 56 . 1 1 64 64 ASP N . . 0.787 0.009 . . . . . 5331 2 57 . 1 1 66 66 GLN N . . 0.743 0.008 . . . . . 5331 2 58 . 1 1 67 67 VAL N . . 0.725 0.008 . . . . . 5331 2 59 . 1 1 68 68 GLY N . . 0.725 0.009 . . . . . 5331 2 60 . 1 1 69 69 LYS N . . 0.742 0.008 . . . . . 5331 2 61 . 1 1 70 70 GLU N . . 0.769 0.008 . . . . . 5331 2 62 . 1 1 71 71 PHE N . . 0.652 0.008 . . . . . 5331 2 63 . 1 1 72 72 GLU N . . 0.755 0.007 . . . . . 5331 2 64 . 1 1 73 73 GLU N . . 0.696 0.008 . . . . . 5331 2 65 . 1 1 74 74 ASP N . . 0.764 0.009 . . . . . 5331 2 66 . 1 1 75 75 LEU N . . 0.741 0.008 . . . . . 5331 2 67 . 1 1 76 76 THR N . . 0.729 0.011 . . . . . 5331 2 68 . 1 1 78 78 ILE N . . 0.722 0.007 . . . . . 5331 2 69 . 1 1 79 79 ASP N . . 0.752 0.011 . . . . . 5331 2 70 . 1 1 81 81 ARG N . . 0.807 0.008 . . . . . 5331 2 71 . 1 1 83 83 CYS N . . 0.743 0.008 . . . . . 5331 2 72 . 1 1 84 84 MET N . . 0.745 0.009 . . . . . 5331 2 73 . 1 1 85 85 THR N . . 0.710 0.007 . . . . . 5331 2 74 . 1 1 86 86 THR N . . 0.729 0.007 . . . . . 5331 2 75 . 1 1 87 87 VAL N . . 0.699 0.013 . . . . . 5331 2 76 . 1 1 88 88 SER N . . 0.727 0.007 . . . . . 5331 2 77 . 1 1 89 89 TRP N . . 0.775 0.022 . . . . . 5331 2 78 . 1 1 90 90 ASP N . . 0.751 0.019 . . . . . 5331 2 79 . 1 1 91 91 GLY N . . 0.735 0.011 . . . . . 5331 2 80 . 1 1 92 92 ASP N . . 0.683 0.016 . . . . . 5331 2 81 . 1 1 94 94 LEU N . . 0.752 0.016 . . . . . 5331 2 82 . 1 1 96 96 CYS N . . 0.729 0.011 . . . . . 5331 2 83 . 1 1 97 97 VAL N . . 0.706 0.007 . . . . . 5331 2 84 . 1 1 98 98 GLN N . . 0.725 0.007 . . . . . 5331 2 85 . 1 1 99 99 LYS N . . 0.740 0.008 . . . . . 5331 2 86 . 1 1 100 100 GLY N . . 0.716 0.007 . . . . . 5331 2 87 . 1 1 101 101 GLU N . . 0.692 0.009 . . . . . 5331 2 88 . 1 1 102 102 LYS N . . 0.757 0.011 . . . . . 5331 2 89 . 1 1 103 103 GLU N . . 0.773 0.008 . . . . . 5331 2 90 . 1 1 104 104 GLY N . . 0.742 0.008 . . . . . 5331 2 91 . 1 1 105 105 ARG N . . 0.717 0.007 . . . . . 5331 2 92 . 1 1 107 107 TRP N . . 0.713 0.007 . . . . . 5331 2 93 . 1 1 108 108 THR N . . 0.759 0.010 . . . . . 5331 2 94 . 1 1 109 109 GLN N . . 0.705 0.007 . . . . . 5331 2 95 . 1 1 110 110 TRP N . . 0.727 0.009 . . . . . 5331 2 96 . 1 1 111 111 ILE N . . 0.762 0.010 . . . . . 5331 2 97 . 1 1 112 112 GLU N . . 0.839 0.008 . . . . . 5331 2 98 . 1 1 113 113 GLY N . . 0.741 0.013 . . . . . 5331 2 99 . 1 1 114 114 ASP N . . 0.735 0.008 . . . . . 5331 2 100 . 1 1 115 115 GLU N . . 0.704 0.007 . . . . . 5331 2 101 . 1 1 116 116 LEU N . . 0.740 0.008 . . . . . 5331 2 102 . 1 1 117 117 HIS N . . 0.739 0.010 . . . . . 5331 2 103 . 1 1 118 118 LEU N . . 0.727 0.007 . . . . . 5331 2 104 . 1 1 119 119 GLU N . . 0.735 0.008 . . . . . 5331 2 105 . 1 1 120 120 MET N . . 0.745 0.009 . . . . . 5331 2 106 . 1 1 121 121 ARG N . . 0.716 0.007 . . . . . 5331 2 107 . 1 1 122 122 ALA N . . 0.727 0.007 . . . . . 5331 2 108 . 1 1 123 123 GLU N . . 0.715 0.007 . . . . . 5331 2 109 . 1 1 124 124 GLY N . . 0.718 0.007 . . . . . 5331 2 110 . 1 1 125 125 VAL N . . 0.678 0.007 . . . . . 5331 2 111 . 1 1 127 127 CYS N . . 0.727 0.007 . . . . . 5331 2 112 . 1 1 128 128 LYS N . . 0.739 0.008 . . . . . 5331 2 113 . 1 1 130 130 VAL N . . 0.764 0.009 . . . . . 5331 2 114 . 1 1 131 131 PHE N . . 0.738 0.008 . . . . . 5331 2 115 . 1 1 132 132 LYS N . . 0.740 0.007 . . . . . 5331 2 116 . 1 1 133 133 LYS N . . 0.680 0.007 . . . . . 5331 2 117 . 1 1 134 134 VAL N . . 0.698 0.007 . . . . . 5331 2 118 . 1 1 135 135 HIS N . . 0.770 0.008 . . . . . 5331 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_500 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_500 _Heteronucl_T2_list.Entry_ID 5331 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $cond_set_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _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 . . 1 $sample_1 . 5331 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 3 3 VAL N . . 0.147 0.003 . . . . . . . 5331 1 2 . 1 1 4 4 ASP N . . 0.112 0.004 . . . . . . . 5331 1 3 . 1 1 5 5 PHE N . . 0.094 0.008 . . . . . . . 5331 1 4 . 1 1 6 6 ASN N . . 0.084 0.003 . . . . . . . 5331 1 5 . 1 1 7 7 GLY N . . 0.095 0.002 . . . . . . . 5331 1 6 . 1 1 8 8 TYR N . . 0.090 0.000 . . . . . . . 5331 1 7 . 1 1 9 9 TRP N . . 0.096 0.002 . . . . . . . 5331 1 8 . 1 1 10 10 LYS N . . 0.090 0.001 . . . . . . . 5331 1 9 . 1 1 11 11 MET N . . 0.093 0.001 . . . . . . . 5331 1 10 . 1 1 13 13 SER N . . 0.095 0.001 . . . . . . . 5331 1 11 . 1 1 15 15 GLU N . . 0.095 0.001 . . . . . . . 5331 1 12 . 1 1 16 16 ASN N . . 0.092 0.001 . . . . . . . 5331 1 13 . 1 1 18 18 GLU N . . 0.092 0.001 . . . . . . . 5331 1 14 . 1 1 19 19 GLU N . . 0.096 0.001 . . . . . . . 5331 1 15 . 1 1 20 20 TYR N . . 0.088 0.001 . . . . . . . 5331 1 16 . 1 1 21 21 LEU N . . 0.088 0.001 . . . . . . . 5331 1 17 . 1 1 22 22 ARG N . . 0.086 0.001 . . . . . . . 5331 1 18 . 1 1 23 23 ALA N . . 0.083 0.001 . . . . . . . 5331 1 19 . 1 1 24 24 LEU N . . 0.095 0.001 . . . . . . . 5331 1 20 . 1 1 25 25 ASP N . . 0.093 0.001 . . . . . . . 5331 1 21 . 1 1 26 26 VAL N . . 0.090 0.001 . . . . . . . 5331 1 22 . 1 1 27 27 ASN N . . 0.100 0.001 . . . . . . . 5331 1 23 . 1 1 28 28 VAL N . . 0.095 0.001 . . . . . . . 5331 1 24 . 1 1 29 29 ALA N . . 0.094 0.001 . . . . . . . 5331 1 25 . 1 1 30 30 LEU N . . 0.092 0.001 . . . . . . . 5331 1 26 . 1 1 31 31 ARG N . . 0.089 0.001 . . . . . . . 5331 1 27 . 1 1 32 32 LYS N . . 0.092 0.001 . . . . . . . 5331 1 28 . 1 1 33 33 ILE N . . 0.096 0.002 . . . . . . . 5331 1 29 . 1 1 34 34 ALA N . . 0.087 0.001 . . . . . . . 5331 1 30 . 1 1 35 35 ASN N . . 0.091 0.001 . . . . . . . 5331 1 31 . 1 1 36 36 LEU N . . 0.097 0.001 . . . . . . . 5331 1 32 . 1 1 37 37 LEU N . . 0.098 0.001 . . . . . . . 5331 1 33 . 1 1 40 40 ASP N . . 0.098 0.002 . . . . . . . 5331 1 34 . 1 1 41 41 LYS N . . 0.094 0.002 . . . . . . . 5331 1 35 . 1 1 42 42 GLU N . . 0.093 0.002 . . . . . . . 5331 1 36 . 1 1 43 43 ILE N . . 0.091 0.002 . . . . . . . 5331 1 37 . 1 1 44 44 VAL N . . 0.093 0.002 . . . . . . . 5331 1 38 . 1 1 45 45 GLN N . . 0.091 0.002 . . . . . . . 5331 1 39 . 1 1 46 46 ASP N . . 0.093 0.002 . . . . . . . 5331 1 40 . 1 1 47 47 GLY N . . 0.099 0.004 . . . . . . . 5331 1 41 . 1 1 49 49 HIS N . . 0.088 0.002 . . . . . . . 5331 1 42 . 1 1 50 50 MET N . . 0.091 0.002 . . . . . . . 5331 1 43 . 1 1 51 51 ILE N . . 0.090 0.001 . . . . . . . 5331 1 44 . 1 1 52 52 ILE N . . 0.091 0.001 . . . . . . . 5331 1 45 . 1 1 53 53 ARG N . . 0.086 0.002 . . . . . . . 5331 1 46 . 1 1 54 54 THR N . . 0.094 0.001 . . . . . . . 5331 1 47 . 1 1 55 55 LEU N . . 0.093 0.002 . . . . . . . 5331 1 48 . 1 1 56 56 SER N . . 0.097 0.001 . . . . . . . 5331 1 49 . 1 1 57 57 THR N . . 0.103 0.002 . . . . . . . 5331 1 50 . 1 1 58 58 PHE N . . 0.102 0.001 . . . . . . . 5331 1 51 . 1 1 59 59 ARG N . . 0.106 0.002 . . . . . . . 5331 1 52 . 1 1 60 60 ASN N . . 0.098 0.001 . . . . . . . 5331 1 53 . 1 1 61 61 TYR N . . 0.095 0.001 . . . . . . . 5331 1 54 . 1 1 62 62 ILE N . . 0.092 0.001 . . . . . . . 5331 1 55 . 1 1 63 63 MET N . . 0.090 0.002 . . . . . . . 5331 1 56 . 1 1 64 64 ASP N . . 0.097 0.001 . . . . . . . 5331 1 57 . 1 1 66 66 GLN N . . 0.089 0.002 . . . . . . . 5331 1 58 . 1 1 67 67 VAL N . . 0.092 0.002 . . . . . . . 5331 1 59 . 1 1 68 68 GLY N . . 0.089 0.001 . . . . . . . 5331 1 60 . 1 1 69 69 LYS N . . 0.094 0.002 . . . . . . . 5331 1 61 . 1 1 70 70 GLU N . . 0.090 0.002 . . . . . . . 5331 1 62 . 1 1 71 71 PHE N . . 0.088 0.001 . . . . . . . 5331 1 63 . 1 1 72 72 GLU N . . 0.101 0.001 . . . . . . . 5331 1 64 . 1 1 73 73 GLU N . . 0.093 0.002 . . . . . . . 5331 1 65 . 1 1 74 74 ASP N . . 0.094 0.001 . . . . . . . 5331 1 66 . 1 1 75 75 LEU N . . 0.079 0.002 . . . . . . . 5331 1 67 . 1 1 76 76 THR N . . 0.082 0.001 . . . . . . . 5331 1 68 . 1 1 78 78 ILE N . . 0.090 0.002 . . . . . . . 5331 1 69 . 1 1 79 79 ASP N . . 0.086 0.003 . . . . . . . 5331 1 70 . 1 1 81 81 ARG N . . 0.102 0.002 . . . . . . . 5331 1 71 . 1 1 83 83 CYS N . . 0.091 0.002 . . . . . . . 5331 1 72 . 1 1 84 84 MET N . . 0.095 0.001 . . . . . . . 5331 1 73 . 1 1 85 85 THR N . . 0.099 0.002 . . . . . . . 5331 1 74 . 1 1 86 86 THR N . . 0.090 0.002 . . . . . . . 5331 1 75 . 1 1 87 87 VAL N . . 0.095 0.003 . . . . . . . 5331 1 76 . 1 1 88 88 SER N . . 0.090 0.001 . . . . . . . 5331 1 77 . 1 1 89 89 TRP N . . 0.102 0.005 . . . . . . . 5331 1 78 . 1 1 90 90 ASP N . . 0.094 0.003 . . . . . . . 5331 1 79 . 1 1 91 91 GLY N . . 0.099 0.004 . . . . . . . 5331 1 80 . 1 1 92 92 ASP N . . 0.103 0.007 . . . . . . . 5331 1 81 . 1 1 94 94 LEU N . . 0.091 0.005 . . . . . . . 5331 1 82 . 1 1 96 96 CYS N . . 0.095 0.003 . . . . . . . 5331 1 83 . 1 1 97 97 VAL N . . 0.094 0.002 . . . . . . . 5331 1 84 . 1 1 98 98 GLN N . . 0.098 0.001 . . . . . . . 5331 1 85 . 1 1 99 99 LYS N . . 0.090 0.001 . . . . . . . 5331 1 86 . 1 1 100 100 GLY N . . 0.095 0.001 . . . . . . . 5331 1 87 . 1 1 101 101 GLU N . . 0.098 0.002 . . . . . . . 5331 1 88 . 1 1 102 102 LYS N . . 0.102 0.002 . . . . . . . 5331 1 89 . 1 1 103 103 GLU N . . 0.093 0.001 . . . . . . . 5331 1 90 . 1 1 104 104 GLY N . . 0.097 0.002 . . . . . . . 5331 1 91 . 1 1 105 105 ARG N . . 0.094 0.001 . . . . . . . 5331 1 92 . 1 1 107 107 TRP N . . 0.086 0.001 . . . . . . . 5331 1 93 . 1 1 108 108 THR N . . 0.089 0.002 . . . . . . . 5331 1 94 . 1 1 109 109 GLN N . . 0.089 0.001 . . . . . . . 5331 1 95 . 1 1 110 110 TRP N . . 0.083 0.001 . . . . . . . 5331 1 96 . 1 1 111 111 ILE N . . 0.089 0.001 . . . . . . . 5331 1 97 . 1 1 112 112 GLU N . . 0.103 0.001 . . . . . . . 5331 1 98 . 1 1 113 113 GLY N . . 0.093 0.002 . . . . . . . 5331 1 99 . 1 1 114 114 ASP N . . 0.081 0.002 . . . . . . . 5331 1 100 . 1 1 115 115 GLU N . . 0.089 0.001 . . . . . . . 5331 1 101 . 1 1 116 116 LEU N . . 0.084 0.004 . . . . . . . 5331 1 102 . 1 1 117 117 HIS N . . 0.083 0.001 . . . . . . . 5331 1 103 . 1 1 118 118 LEU N . . 0.089 0.001 . . . . . . . 5331 1 104 . 1 1 119 119 GLU N . . 0.090 0.001 . . . . . . . 5331 1 105 . 1 1 120 120 MET N . . 0.091 0.002 . . . . . . . 5331 1 106 . 1 1 121 121 ARG N . . 0.091 0.002 . . . . . . . 5331 1 107 . 1 1 122 122 ALA N . . 0.095 0.001 . . . . . . . 5331 1 108 . 1 1 123 123 GLU N . . 0.090 0.001 . . . . . . . 5331 1 109 . 1 1 124 124 GLY N . . 0.091 0.001 . . . . . . . 5331 1 110 . 1 1 125 125 VAL N . . 0.092 0.001 . . . . . . . 5331 1 111 . 1 1 127 127 CYS N . . 0.094 0.002 . . . . . . . 5331 1 112 . 1 1 128 128 LYS N . . 0.089 0.001 . . . . . . . 5331 1 113 . 1 1 130 130 VAL N . . 0.084 0.001 . . . . . . . 5331 1 114 . 1 1 131 131 PHE N . . 0.087 0.001 . . . . . . . 5331 1 115 . 1 1 132 132 LYS N . . 0.087 0.001 . . . . . . . 5331 1 116 . 1 1 133 133 LYS N . . 0.095 0.002 . . . . . . . 5331 1 117 . 1 1 134 134 VAL N . . 0.097 0.004 . . . . . . . 5331 1 118 . 1 1 135 135 HIS N . . 0.116 0.002 . . . . . . . 5331 1 stop_ save_ save_15N_T2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_600 _Heteronucl_T2_list.Entry_ID 5331 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $cond_set_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _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 . . 1 $sample_1 . 5331 2 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 3 3 VAL N . . 0.136 0.005 . . . . . . . 5331 2 2 . 1 1 4 4 ASP N . . 0.107 0.002 . . . . . . . 5331 2 3 . 1 1 5 5 PHE N . . 0.096 0.002 . . . . . . . 5331 2 4 . 1 1 6 6 ASN N . . 0.083 0.002 . . . . . . . 5331 2 5 . 1 1 7 7 GLY N . . 0.091 0.001 . . . . . . . 5331 2 6 . 1 1 8 8 TYR N . . 0.088 0.001 . . . . . . . 5331 2 7 . 1 1 9 9 TRP N . . 0.092 0.001 . . . . . . . 5331 2 8 . 1 1 10 10 LYS N . . 0.088 0.002 . . . . . . . 5331 2 9 . 1 1 11 11 MET N . . 0.091 0.002 . . . . . . . 5331 2 10 . 1 1 13 13 SER N . . 0.093 0.001 . . . . . . . 5331 2 11 . 1 1 15 15 GLU N . . 0.095 0.003 . . . . . . . 5331 2 12 . 1 1 16 16 ASN N . . 0.091 0.002 . . . . . . . 5331 2 13 . 1 1 18 18 GLU N . . 0.089 0.001 . . . . . . . 5331 2 14 . 1 1 19 19 GLU N . . 0.092 0.001 . . . . . . . 5331 2 15 . 1 1 20 20 TYR N . . 0.086 0.001 . . . . . . . 5331 2 16 . 1 1 21 21 LEU N . . 0.086 0.001 . . . . . . . 5331 2 17 . 1 1 22 22 ARG N . . 0.085 0.001 . . . . . . . 5331 2 18 . 1 1 23 23 ALA N . . 0.083 0.001 . . . . . . . 5331 2 19 . 1 1 24 24 LEU N . . 0.093 0.001 . . . . . . . 5331 2 20 . 1 1 25 25 ASP N . . 0.090 0.001 . . . . . . . 5331 2 21 . 1 1 26 26 VAL N . . 0.086 0.001 . . . . . . . 5331 2 22 . 1 1 27 27 ASN N . . 0.096 0.001 . . . . . . . 5331 2 23 . 1 1 28 28 VAL N . . 0.092 0.001 . . . . . . . 5331 2 24 . 1 1 29 29 ALA N . . 0.089 0.001 . . . . . . . 5331 2 25 . 1 1 30 30 LEU N . . 0.089 0.003 . . . . . . . 5331 2 26 . 1 1 31 31 ARG N . . 0.086 0.002 . . . . . . . 5331 2 27 . 1 1 32 32 LYS N . . 0.088 0.001 . . . . . . . 5331 2 28 . 1 1 33 33 ILE N . . 0.094 0.002 . . . . . . . 5331 2 29 . 1 1 34 34 ALA N . . 0.083 0.001 . . . . . . . 5331 2 30 . 1 1 35 35 ASN N . . 0.089 0.001 . . . . . . . 5331 2 31 . 1 1 36 36 LEU N . . 0.096 0.002 . . . . . . . 5331 2 32 . 1 1 37 37 LEU N . . 0.092 0.002 . . . . . . . 5331 2 33 . 1 1 40 40 ASP N . . 0.097 0.001 . . . . . . . 5331 2 34 . 1 1 41 41 LYS N . . 0.091 0.001 . . . . . . . 5331 2 35 . 1 1 42 42 GLU N . . 0.092 0.002 . . . . . . . 5331 2 36 . 1 1 43 43 ILE N . . 0.090 0.001 . . . . . . . 5331 2 37 . 1 1 44 44 VAL N . . 0.091 0.003 . . . . . . . 5331 2 38 . 1 1 45 45 GLN N . . 0.093 0.003 . . . . . . . 5331 2 39 . 1 1 46 46 ASP N . . 0.090 0.001 . . . . . . . 5331 2 40 . 1 1 47 47 GLY N . . 0.096 0.002 . . . . . . . 5331 2 41 . 1 1 49 49 HIS N . . 0.083 0.002 . . . . . . . 5331 2 42 . 1 1 50 50 MET N . . 0.086 0.002 . . . . . . . 5331 2 43 . 1 1 51 51 ILE N . . 0.089 0.002 . . . . . . . 5331 2 44 . 1 1 52 52 ILE N . . 0.091 0.002 . . . . . . . 5331 2 45 . 1 1 53 53 ARG N . . 0.085 0.001 . . . . . . . 5331 2 46 . 1 1 54 54 THR N . . 0.090 0.001 . . . . . . . 5331 2 47 . 1 1 55 55 LEU N . . 0.091 0.003 . . . . . . . 5331 2 48 . 1 1 56 56 SER N . . 0.095 0.001 . . . . . . . 5331 2 49 . 1 1 57 57 THR N . . 0.098 0.002 . . . . . . . 5331 2 50 . 1 1 58 58 PHE N . . 0.096 0.001 . . . . . . . 5331 2 51 . 1 1 59 59 ARG N . . 0.104 0.002 . . . . . . . 5331 2 52 . 1 1 60 60 ASN N . . 0.095 0.001 . . . . . . . 5331 2 53 . 1 1 61 61 TYR N . . 0.091 0.001 . . . . . . . 5331 2 54 . 1 1 62 62 ILE N . . 0.088 0.001 . . . . . . . 5331 2 55 . 1 1 63 63 MET N . . 0.088 0.002 . . . . . . . 5331 2 56 . 1 1 64 64 ASP N . . 0.094 0.001 . . . . . . . 5331 2 57 . 1 1 66 66 GLN N . . 0.087 0.001 . . . . . . . 5331 2 58 . 1 1 67 67 VAL N . . 0.089 0.001 . . . . . . . 5331 2 59 . 1 1 68 68 GLY N . . 0.086 0.002 . . . . . . . 5331 2 60 . 1 1 69 69 LYS N . . 0.091 0.001 . . . . . . . 5331 2 61 . 1 1 70 70 GLU N . . 0.089 0.001 . . . . . . . 5331 2 62 . 1 1 71 71 PHE N . . 0.086 0.001 . . . . . . . 5331 2 63 . 1 1 72 72 GLU N . . 0.096 0.001 . . . . . . . 5331 2 64 . 1 1 73 73 GLU N . . 0.090 0.002 . . . . . . . 5331 2 65 . 1 1 74 74 ASP N . . 0.090 0.001 . . . . . . . 5331 2 66 . 1 1 75 75 LEU N . . 0.075 0.002 . . . . . . . 5331 2 67 . 1 1 76 76 THR N . . 0.077 0.002 . . . . . . . 5331 2 68 . 1 1 78 78 ILE N . . 0.088 0.002 . . . . . . . 5331 2 69 . 1 1 79 79 ASP N . . 0.085 0.002 . . . . . . . 5331 2 70 . 1 1 81 81 ARG N . . 0.099 0.001 . . . . . . . 5331 2 71 . 1 1 83 83 CYS N . . 0.086 0.002 . . . . . . . 5331 2 72 . 1 1 84 84 MET N . . 0.093 0.002 . . . . . . . 5331 2 73 . 1 1 85 85 THR N . . 0.092 0.002 . . . . . . . 5331 2 74 . 1 1 86 86 THR N . . 0.089 0.001 . . . . . . . 5331 2 75 . 1 1 87 87 VAL N . . 0.091 0.003 . . . . . . . 5331 2 76 . 1 1 88 88 SER N . . 0.086 0.002 . . . . . . . 5331 2 77 . 1 1 89 89 TRP N . . 0.092 0.002 . . . . . . . 5331 2 78 . 1 1 90 90 ASP N . . 0.093 0.003 . . . . . . . 5331 2 79 . 1 1 91 91 GLY N . . 0.098 0.002 . . . . . . . 5331 2 80 . 1 1 92 92 ASP N . . 0.097 0.004 . . . . . . . 5331 2 81 . 1 1 94 94 LEU N . . 0.090 0.002 . . . . . . . 5331 2 82 . 1 1 96 96 CYS N . . 0.093 0.003 . . . . . . . 5331 2 83 . 1 1 97 97 VAL N . . 0.088 0.002 . . . . . . . 5331 2 84 . 1 1 98 98 GLN N . . 0.096 0.002 . . . . . . . 5331 2 85 . 1 1 99 99 LYS N . . 0.089 0.001 . . . . . . . 5331 2 86 . 1 1 100 100 GLY N . . 0.094 0.001 . . . . . . . 5331 2 87 . 1 1 101 101 GLU N . . 0.094 0.002 . . . . . . . 5331 2 88 . 1 1 102 102 LYS N . . 0.100 0.001 . . . . . . . 5331 2 89 . 1 1 103 103 GLU N . . 0.092 0.001 . . . . . . . 5331 2 90 . 1 1 104 104 GLY N . . 0.092 0.001 . . . . . . . 5331 2 91 . 1 1 105 105 ARG N . . 0.090 0.001 . . . . . . . 5331 2 92 . 1 1 107 107 TRP N . . 0.083 0.001 . . . . . . . 5331 2 93 . 1 1 108 108 THR N . . 0.085 0.002 . . . . . . . 5331 2 94 . 1 1 109 109 GLN N . . 0.088 0.002 . . . . . . . 5331 2 95 . 1 1 110 110 TRP N . . 0.079 0.002 . . . . . . . 5331 2 96 . 1 1 111 111 ILE N . . 0.086 0.003 . . . . . . . 5331 2 97 . 1 1 112 112 GLU N . . 0.106 0.002 . . . . . . . 5331 2 98 . 1 1 113 113 GLY N . . 0.088 0.002 . . . . . . . 5331 2 99 . 1 1 114 114 ASP N . . 0.073 0.001 . . . . . . . 5331 2 100 . 1 1 115 115 GLU N . . 0.088 0.002 . . . . . . . 5331 2 101 . 1 1 116 116 LEU N . . 0.085 0.002 . . . . . . . 5331 2 102 . 1 1 117 117 HIS N . . 0.079 0.001 . . . . . . . 5331 2 103 . 1 1 118 118 LEU N . . 0.085 0.001 . . . . . . . 5331 2 104 . 1 1 119 119 GLU N . . 0.085 0.001 . . . . . . . 5331 2 105 . 1 1 120 120 MET N . . 0.089 0.001 . . . . . . . 5331 2 106 . 1 1 121 121 ARG N . . 0.090 0.002 . . . . . . . 5331 2 107 . 1 1 122 122 ALA N . . 0.093 0.001 . . . . . . . 5331 2 108 . 1 1 123 123 GLU N . . 0.087 0.002 . . . . . . . 5331 2 109 . 1 1 124 124 GLY N . . 0.088 0.001 . . . . . . . 5331 2 110 . 1 1 125 125 VAL N . . 0.090 0.001 . . . . . . . 5331 2 111 . 1 1 127 127 CYS N . . 0.084 0.001 . . . . . . . 5331 2 112 . 1 1 128 128 LYS N . . 0.084 0.001 . . . . . . . 5331 2 113 . 1 1 130 130 VAL N . . 0.083 0.001 . . . . . . . 5331 2 114 . 1 1 131 131 PHE N . . 0.086 0.002 . . . . . . . 5331 2 115 . 1 1 132 132 LYS N . . 0.086 0.002 . . . . . . . 5331 2 116 . 1 1 133 133 LYS N . . 0.089 0.001 . . . . . . . 5331 2 117 . 1 1 134 134 VAL N . . 0.094 0.002 . . . . . . . 5331 2 118 . 1 1 135 135 HIS N . . 0.104 0.001 . . . . . . . 5331 2 stop_ save_ ###################### # Order parameters # ###################### save_S2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2 _Order_parameter_list.Entry_ID 5331 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $cond_set_1 _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID . . 1 $sample_1 . 5331 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 3 $ModelFree . . 5331 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 VAL N . . 0.595 0.015 400.000 77.006 . . . . . . . . . . . . . . . . . . . . . 5331 1 2 . 1 1 4 4 ASP N . . 0.749 0.009 77.371 9.213 . . . . . . . . . . . . . . . . . . . . . 5331 1 3 . 1 1 5 5 PHE N . . 0.849 0.015 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 4 . 1 1 6 6 ASN N . . 0.843 0.011 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 5 . 1 1 7 7 GLY N . . 0.878 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 6 . 1 1 8 8 TYR N . . 0.874 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 7 . 1 1 9 9 TRP N . . 0.882 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 8 . 1 1 10 10 LYS N . . 0.869 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 9 . 1 1 11 11 MET N . . 0.909 0.007 21.679 21.142 . . . . . . . . . . . . . . . . . . . . . 5331 1 10 . 1 1 13 13 SER N . . 0.846 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 11 . 1 1 15 15 GLU N . . 0.797 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 12 . 1 1 16 16 ASN N . . 0.898 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 13 . 1 1 18 18 GLU N . . 0.888 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 14 . 1 1 19 19 GLU N . . 0.881 0.005 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 15 . 1 1 20 20 TYR N . . 0.917 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 16 . 1 1 21 21 LEU N . . 0.940 0.005 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 17 . 1 1 22 22 ARG N . . 0.939 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 18 . 1 1 23 23 ALA N . . 0.951 0.013 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 19 . 1 1 24 24 LEU N . . 0.872 0.005 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 20 . 1 1 25 25 ASP N . . 0.920 0.007 48.529 24.648 . . . . . . . . . . . . . . . . . . . . . 5331 1 21 . 1 1 26 26 VAL N . . 0.929 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 22 . 1 1 27 27 ASN N . . 0.845 0.005 48.755 11.817 . . . . . . . . . . . . . . . . . . . . . 5331 1 23 . 1 1 28 28 VAL N . . 0.877 0.004 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 24 . 1 1 29 29 ALA N . . 0.900 0.004 26.488 17.725 . . . . . . . . . . . . . . . . . . . . . 5331 1 25 . 1 1 30 30 LEU N . . 0.861 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 26 . 1 1 31 31 ARG N . . 0.899 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 27 . 1 1 32 32 LYS N . . 0.883 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 28 . 1 1 33 33 ILE N . . 0.852 0.007 18.938 12.763 . . . . . . . . . . . . . . . . . . . . . 5331 1 29 . 1 1 34 34 ALA N . . 0.898 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 30 . 1 1 35 35 ASN N . . 0.876 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 31 . 1 1 36 36 LEU N . . 0.856 0.007 40.345 12.910 . . . . . . . . . . . . . . . . . . . . . 5331 1 32 . 1 1 37 37 LEU N . . 0.860 0.006 23.733 12.853 . . . . . . . . . . . . . . . . . . . . . 5331 1 33 . 1 1 40 40 ASP N . . 0.848 0.006 29.287 11.913 . . . . . . . . . . . . . . . . . . . . . 5331 1 34 . 1 1 41 41 LYS N . . 0.870 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 35 . 1 1 42 42 GLU N . . 0.849 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 36 . 1 1 43 43 ILE N . . 0.900 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 37 . 1 1 44 44 VAL N . . 0.865 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 38 . 1 1 45 45 GLN N . . 0.871 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 39 . 1 1 46 46 ASP N . . 0.856 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 40 . 1 1 47 47 GLY N . . 0.857 0.011 34.058 14.052 . . . . . . . . . . . . . . . . . . . . . 5331 1 41 . 1 1 49 49 HIS N . . 0.869 0.011 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 42 . 1 1 50 50 MET N . . 0.890 0.011 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 43 . 1 1 51 51 ILE N . . 0.832 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 44 . 1 1 52 52 ILE N . . 0.875 0.009 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 45 . 1 1 53 53 ARG N . . 0.870 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 46 . 1 1 54 54 THR N . . 0.879 0.009 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 47 . 1 1 55 55 LEU N . . 0.901 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 48 . 1 1 56 56 SER N . . 0.866 0.006 31.921 13.380 . . . . . . . . . . . . . . . . . . . . . 5331 1 49 . 1 1 57 57 THR N . . 0.851 0.011 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 50 . 1 1 58 58 PHE N . . 0.838 0.005 64.120 10.398 . . . . . . . . . . . . . . . . . . . . . 5331 1 51 . 1 1 59 59 ARG N . . 0.813 0.008 39.989 9.712 . . . . . . . . . . . . . . . . . . . . . 5331 1 52 . 1 1 60 60 ASN N . . 0.864 0.006 27.654 13.050 . . . . . . . . . . . . . . . . . . . . . 5331 1 53 . 1 1 61 61 TYR N . . 0.858 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 54 . 1 1 62 62 ILE N . . 0.890 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 55 . 1 1 63 63 MET N . . 0.887 0.009 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 56 . 1 1 64 64 ASP N . . 0.817 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 57 . 1 1 66 66 GLN N . . 0.856 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 58 . 1 1 67 67 VAL N . . 0.895 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 59 . 1 1 68 68 GLY N . . 0.887 0.010 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 60 . 1 1 69 69 LYS N . . 0.862 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 61 . 1 1 70 70 GLU N . . 0.836 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 62 . 1 1 71 71 PHE N . . 0.962 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 63 . 1 1 72 72 GLU N . . 0.846 0.005 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 64 . 1 1 73 73 GLU N . . 0.909 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 65 . 1 1 74 74 ASP N . . 0.836 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 66 . 1 1 75 75 LEU N . . 0.867 0.009 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 67 . 1 1 76 76 THR N . . 0.880 0.011 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 68 . 1 1 78 78 ILE N . . 0.891 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 69 . 1 1 79 79 ASP N . . 0.853 0.010 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 70 . 1 1 81 81 ARG N . . 0.795 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 71 . 1 1 83 83 CYS N . . 0.868 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 72 . 1 1 84 84 MET N . . 0.874 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 73 . 1 1 85 85 THR N . . 0.893 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 74 . 1 1 86 86 THR N . . 0.882 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 75 . 1 1 87 87 VAL N . . 0.907 0.012 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 76 . 1 1 88 88 SER N . . 0.874 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 77 . 1 1 89 89 TRP N . . 0.855 0.013 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 78 . 1 1 90 90 ASP N . . 0.871 0.012 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 79 . 1 1 91 91 GLY N . . 0.854 0.010 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 80 . 1 1 92 92 ASP N . . 0.879 0.015 19.068 17.505 . . . . . . . . . . . . . . . . . . . . . 5331 1 81 . 1 1 94 94 LEU N . . 0.871 0.014 21.640 16.225 . . . . . . . . . . . . . . . . . . . . . 5331 1 82 . 1 1 96 96 CYS N . . 0.878 0.010 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 83 . 1 1 97 97 VAL N . . 0.908 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 84 . 1 1 98 98 GLN N . . 0.869 0.007 13.539 14.407 . . . . . . . . . . . . . . . . . . . . . 5331 1 85 . 1 1 99 99 LYS N . . 0.871 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 86 . 1 1 100 100 GLY N . . 0.883 0.004 17.436 15.257 . . . . . . . . . . . . . . . . . . . . . 5331 1 87 . 1 1 101 101 GLU N . . 0.892 0.009 43.521 18.862 . . . . . . . . . . . . . . . . . . . . . 5331 1 88 . 1 1 102 102 LYS N . . 0.822 0.007 14.849 10.507 . . . . . . . . . . . . . . . . . . . . . 5331 1 89 . 1 1 103 103 GLU N . . 0.823 0.010 8.597 11.284 . . . . . . . . . . . . . . . . . . . . . 5331 1 90 . 1 1 104 104 GLY N . . 0.859 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 91 . 1 1 105 105 ARG N . . 0.897 0.005 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 92 . 1 1 107 107 TRP N . . 0.899 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 93 . 1 1 108 108 THR N . . 0.843 0.009 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 94 . 1 1 109 109 GLN N . . 0.895 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 95 . 1 1 110 110 TRP N . . 0.880 0.010 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 96 . 1 1 111 111 ILE N . . 0.850 0.010 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 97 . 1 1 112 112 GLU N . . 0.796 0.010 0.000 0.133 . . . . . . . . . . . . . . . . . . . . . 5331 1 98 . 1 1 113 113 GLY N . . 0.887 0.009 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 99 . 1 1 114 114 ASP N . . 0.861 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 100 . 1 1 115 115 GLU N . . 0.897 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 101 . 1 1 116 116 LEU N . . 0.869 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 102 . 1 1 117 117 HIS N . . 0.857 0.010 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 103 . 1 1 118 118 LEU N . . 0.884 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 104 . 1 1 119 119 GLU N . . 0.873 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 105 . 1 1 120 120 MET N . . 0.853 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 106 . 1 1 121 121 ARG N . . 0.901 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 107 . 1 1 122 122 ALA N . . 0.886 0.004 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 108 . 1 1 123 123 GLU N . . 0.896 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 109 . 1 1 124 124 GLY N . . 0.881 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 110 . 1 1 125 125 VAL N . . 0.906 0.007 61.290 27.163 . . . . . . . . . . . . . . . . . . . . . 5331 1 111 . 1 1 127 127 CYS N . . 0.884 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 112 . 1 1 128 128 LYS N . . 0.855 0.007 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 113 . 1 1 130 130 VAL N . . 0.844 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 114 . 1 1 131 131 PHE N . . 0.867 0.008 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 115 . 1 1 132 132 LYS N . . 0.855 0.006 . . . . . . . . . . . . . . . . . . . . . . . 5331 1 116 . 1 1 133 133 LYS N . . 0.906 0.008 51.356 21.285 . . . . . . . . . . . . . . . . . . . . . 5331 1 117 . 1 1 134 134 VAL N . . 0.881 0.008 59.313 16.650 . . . . . . . . . . . . . . . . . . . . . 5331 1 118 . 1 1 135 135 HIS N . . 0.771 0.006 57.869 8.048 . . . . . . . . . . . . . . . . . . . . . 5331 1 stop_ save_