data_7415 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7415 _Entry.Title ; Evidence of reciprocical reorientation of the catalytic and hemopexin-like domains of full-length MMP-12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-03 _Entry.Accession_date 2007-12-03 _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 ; In this entry are deposited : _ Assignment of FL_MMP12. _ Assignment of hemopexin-like domain. _ RDCs obtained on FL_MMP12. _ R1, R2 and NOE data for catalytic, hemopexin-like domain and full-length protein. ; _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 Ivano Bertini . . . 7415 2 Vito Calderone . . . 7415 3 Marco Fragai . . . 7415 4 Rahul Jaiswal . . . 7415 5 Claudio Luchinat . . . 7415 6 Maxime Melikian . . . 7415 7 Efstratios Mylonas . . . 7415 8 Dmitri Svergun . I. . 7415 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 7415 heteronucl_T1_relaxation 1 7415 heteronucl_T2_relaxation 1 7415 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 129 7415 'T2 relaxation values' 129 7415 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 . . 2011-08-11 . update BMRB 'residue name for residue 115 corrected in relaxation save frames' 7415 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7415 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18465858 _Citation.Full_citation . _Citation.Title 'Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 130 _Citation.Journal_issue 22 _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 7011 _Citation.Page_last 7022 _Citation.Year 2008 _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 I. Bertini . . . 7415 1 2 V. Calderone . . . 7415 1 3 M. Fragai . . . 7415 1 4 R. Jaiswal . . . 7415 1 5 C. Luchinat . . . 7415 1 6 M. Melikian . . . 7415 1 7 E. Mylonas . . . 7415 1 8 D. Svergun . I. . 7415 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 7415 1 'matrix metalloproteinase' 7415 1 mobility 7415 1 NMR 7415 1 RDC 7415 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7415 _Assembly.ID 1 _Assembly.Name MMP12_HUMAN _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.4.24.65 _Assembly.Details 'Active MMP-12 protein composed by a catalytic and a hemopexin-like domain connected by a linker peptide.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 7415 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 'Catalytic Domain' 1 $CAT_DOMAIN . . yes native . . . . . 7415 1 2 'Cadmium ion' 2 $CD . . no native . . . . . 7415 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MMP12_HUMAN system 7415 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAT_DOMAIN _Entity.Sf_category entity _Entity.Sf_framecode CAT_DOMAIN _Entity.Entry_ID 7415 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CAT_DOMAIN _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 ; MGPVWRKHYITYRINNYTPD MNREDVDYAIRKAFQVWSNV TPLKFSKINTGMADILVVFA RGAHGDFHAFDGKGGILAHA FGPGSGIGGDAHFDEDEFWT THSGGTNLFLTAVHEIGHSL GLGHSSDPKAVMFPTYKYVD INTFRLSADDIRGIQSLYG ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cleavage of the target' 7415 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CAT_DOMAIN common 7415 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7415 1 2 . GLY . 7415 1 3 . PRO . 7415 1 4 . VAL . 7415 1 5 . TRP . 7415 1 6 . ARG . 7415 1 7 . LYS . 7415 1 8 . HIS . 7415 1 9 . TYR . 7415 1 10 . ILE . 7415 1 11 . THR . 7415 1 12 . TYR . 7415 1 13 . ARG . 7415 1 14 . ILE . 7415 1 15 . ASN . 7415 1 16 . ASN . 7415 1 17 . TYR . 7415 1 18 . THR . 7415 1 19 . PRO . 7415 1 20 . ASP . 7415 1 21 . MET . 7415 1 22 . ASN . 7415 1 23 . ARG . 7415 1 24 . GLU . 7415 1 25 . ASP . 7415 1 26 . VAL . 7415 1 27 . ASP . 7415 1 28 . TYR . 7415 1 29 . ALA . 7415 1 30 . ILE . 7415 1 31 . ARG . 7415 1 32 . LYS . 7415 1 33 . ALA . 7415 1 34 . PHE . 7415 1 35 . GLN . 7415 1 36 . VAL . 7415 1 37 . TRP . 7415 1 38 . SER . 7415 1 39 . ASN . 7415 1 40 . VAL . 7415 1 41 . THR . 7415 1 42 . PRO . 7415 1 43 . LEU . 7415 1 44 . LYS . 7415 1 45 . PHE . 7415 1 46 . SER . 7415 1 47 . LYS . 7415 1 48 . ILE . 7415 1 49 . ASN . 7415 1 50 . THR . 7415 1 51 . GLY . 7415 1 52 . MET . 7415 1 53 . ALA . 7415 1 54 . ASP . 7415 1 55 . ILE . 7415 1 56 . LEU . 7415 1 57 . VAL . 7415 1 58 . VAL . 7415 1 59 . PHE . 7415 1 60 . ALA . 7415 1 61 . ARG . 7415 1 62 . GLY . 7415 1 63 . ALA . 7415 1 64 . HIS . 7415 1 65 . GLY . 7415 1 66 . ASP . 7415 1 67 . PHE . 7415 1 68 . HIS . 7415 1 69 . ALA . 7415 1 70 . PHE . 7415 1 71 . ASP . 7415 1 72 . GLY . 7415 1 73 . LYS . 7415 1 74 . GLY . 7415 1 75 . GLY . 7415 1 76 . ILE . 7415 1 77 . LEU . 7415 1 78 . ALA . 7415 1 79 . HIS . 7415 1 80 . ALA . 7415 1 81 . PHE . 7415 1 82 . GLY . 7415 1 83 . PRO . 7415 1 84 . GLY . 7415 1 85 . SER . 7415 1 86 . GLY . 7415 1 87 . ILE . 7415 1 88 . GLY . 7415 1 89 . GLY . 7415 1 90 . ASP . 7415 1 91 . ALA . 7415 1 92 . HIS . 7415 1 93 . PHE . 7415 1 94 . ASP . 7415 1 95 . GLU . 7415 1 96 . ASP . 7415 1 97 . GLU . 7415 1 98 . PHE . 7415 1 99 . TRP . 7415 1 100 . THR . 7415 1 101 . THR . 7415 1 102 . HIS . 7415 1 103 . SER . 7415 1 104 . GLY . 7415 1 105 . GLY . 7415 1 106 . THR . 7415 1 107 . ASN . 7415 1 108 . LEU . 7415 1 109 . PHE . 7415 1 110 . LEU . 7415 1 111 . THR . 7415 1 112 . ALA . 7415 1 113 . VAL . 7415 1 114 . HIS . 7415 1 115 . GLU . 7415 1 116 . ILE . 7415 1 117 . GLY . 7415 1 118 . HIS . 7415 1 119 . SER . 7415 1 120 . LEU . 7415 1 121 . GLY . 7415 1 122 . LEU . 7415 1 123 . GLY . 7415 1 124 . HIS . 7415 1 125 . SER . 7415 1 126 . SER . 7415 1 127 . ASP . 7415 1 128 . PRO . 7415 1 129 . LYS . 7415 1 130 . ALA . 7415 1 131 . VAL . 7415 1 132 . MET . 7415 1 133 . PHE . 7415 1 134 . PRO . 7415 1 135 . THR . 7415 1 136 . TYR . 7415 1 137 . LYS . 7415 1 138 . TYR . 7415 1 139 . VAL . 7415 1 140 . ASP . 7415 1 141 . ILE . 7415 1 142 . ASN . 7415 1 143 . THR . 7415 1 144 . PHE . 7415 1 145 . ARG . 7415 1 146 . LEU . 7415 1 147 . SER . 7415 1 148 . ALA . 7415 1 149 . ASP . 7415 1 150 . ASP . 7415 1 151 . ILE . 7415 1 152 . ARG . 7415 1 153 . GLY . 7415 1 154 . ILE . 7415 1 155 . GLN . 7415 1 156 . SER . 7415 1 157 . LEU . 7415 1 158 . TYR . 7415 1 159 . GLY . 7415 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 7415 1 . GLY 2 2 7415 1 . PRO 3 3 7415 1 . VAL 4 4 7415 1 . TRP 5 5 7415 1 . ARG 6 6 7415 1 . LYS 7 7 7415 1 . HIS 8 8 7415 1 . TYR 9 9 7415 1 . ILE 10 10 7415 1 . THR 11 11 7415 1 . TYR 12 12 7415 1 . ARG 13 13 7415 1 . ILE 14 14 7415 1 . ASN 15 15 7415 1 . ASN 16 16 7415 1 . TYR 17 17 7415 1 . THR 18 18 7415 1 . PRO 19 19 7415 1 . ASP 20 20 7415 1 . MET 21 21 7415 1 . ASN 22 22 7415 1 . ARG 23 23 7415 1 . GLU 24 24 7415 1 . ASP 25 25 7415 1 . VAL 26 26 7415 1 . ASP 27 27 7415 1 . TYR 28 28 7415 1 . ALA 29 29 7415 1 . ILE 30 30 7415 1 . ARG 31 31 7415 1 . LYS 32 32 7415 1 . ALA 33 33 7415 1 . PHE 34 34 7415 1 . GLN 35 35 7415 1 . VAL 36 36 7415 1 . TRP 37 37 7415 1 . SER 38 38 7415 1 . ASN 39 39 7415 1 . VAL 40 40 7415 1 . THR 41 41 7415 1 . PRO 42 42 7415 1 . LEU 43 43 7415 1 . LYS 44 44 7415 1 . PHE 45 45 7415 1 . SER 46 46 7415 1 . LYS 47 47 7415 1 . ILE 48 48 7415 1 . ASN 49 49 7415 1 . THR 50 50 7415 1 . GLY 51 51 7415 1 . MET 52 52 7415 1 . ALA 53 53 7415 1 . ASP 54 54 7415 1 . ILE 55 55 7415 1 . LEU 56 56 7415 1 . VAL 57 57 7415 1 . VAL 58 58 7415 1 . PHE 59 59 7415 1 . ALA 60 60 7415 1 . ARG 61 61 7415 1 . GLY 62 62 7415 1 . ALA 63 63 7415 1 . HIS 64 64 7415 1 . GLY 65 65 7415 1 . ASP 66 66 7415 1 . PHE 67 67 7415 1 . HIS 68 68 7415 1 . ALA 69 69 7415 1 . PHE 70 70 7415 1 . ASP 71 71 7415 1 . GLY 72 72 7415 1 . LYS 73 73 7415 1 . GLY 74 74 7415 1 . GLY 75 75 7415 1 . ILE 76 76 7415 1 . LEU 77 77 7415 1 . ALA 78 78 7415 1 . HIS 79 79 7415 1 . ALA 80 80 7415 1 . PHE 81 81 7415 1 . GLY 82 82 7415 1 . PRO 83 83 7415 1 . GLY 84 84 7415 1 . SER 85 85 7415 1 . GLY 86 86 7415 1 . ILE 87 87 7415 1 . GLY 88 88 7415 1 . GLY 89 89 7415 1 . ASP 90 90 7415 1 . ALA 91 91 7415 1 . HIS 92 92 7415 1 . PHE 93 93 7415 1 . ASP 94 94 7415 1 . GLU 95 95 7415 1 . ASP 96 96 7415 1 . GLU 97 97 7415 1 . PHE 98 98 7415 1 . TRP 99 99 7415 1 . THR 100 100 7415 1 . THR 101 101 7415 1 . HIS 102 102 7415 1 . SER 103 103 7415 1 . GLY 104 104 7415 1 . GLY 105 105 7415 1 . THR 106 106 7415 1 . ASN 107 107 7415 1 . LEU 108 108 7415 1 . PHE 109 109 7415 1 . LEU 110 110 7415 1 . THR 111 111 7415 1 . ALA 112 112 7415 1 . VAL 113 113 7415 1 . HIS 114 114 7415 1 . GLU 115 115 7415 1 . ILE 116 116 7415 1 . GLY 117 117 7415 1 . HIS 118 118 7415 1 . SER 119 119 7415 1 . LEU 120 120 7415 1 . GLY 121 121 7415 1 . LEU 122 122 7415 1 . GLY 123 123 7415 1 . HIS 124 124 7415 1 . SER 125 125 7415 1 . SER 126 126 7415 1 . ASP 127 127 7415 1 . PRO 128 128 7415 1 . LYS 129 129 7415 1 . ALA 130 130 7415 1 . VAL 131 131 7415 1 . MET 132 132 7415 1 . PHE 133 133 7415 1 . PRO 134 134 7415 1 . THR 135 135 7415 1 . TYR 136 136 7415 1 . LYS 137 137 7415 1 . TYR 138 138 7415 1 . VAL 139 139 7415 1 . ASP 140 140 7415 1 . ILE 141 141 7415 1 . ASN 142 142 7415 1 . THR 143 143 7415 1 . PHE 144 144 7415 1 . ARG 145 145 7415 1 . LEU 146 146 7415 1 . SER 147 147 7415 1 . ALA 148 148 7415 1 . ASP 149 149 7415 1 . ASP 150 150 7415 1 . ILE 151 151 7415 1 . ARG 152 152 7415 1 . GLY 153 153 7415 1 . ILE 154 154 7415 1 . GLN 155 155 7415 1 . SER 156 156 7415 1 . LEU 157 157 7415 1 . TYR 158 158 7415 1 . GLY 159 159 7415 1 stop_ save_ save_CD _Entity.Sf_category entity _Entity.Sf_framecode CD _Entity.Entry_ID 7415 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'CD (CADMIUM ION)' _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 . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_CD _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 112.411 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:34:58 2007 ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CD (CADMIUM ION)' common 7415 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CD . 7415 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . CD 1 1 7415 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 7415 _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 $CAT_DOMAIN . 9606 . . 'Homo Sapiens' Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . . . . . . 7415 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 7415 _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 $CAT_DOMAIN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a . . . . . . 7415 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CD _Chem_comp.Entry_ID 7415 _Chem_comp.ID CD _Chem_comp.Provenance . _Chem_comp.Name 'CD (CADMIUM ION)' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CD _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Cd _Chem_comp.Formula_weight 112.411 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Mon Aug 20 19:34:58 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID 'CD (CADMIUM ION)' common 7415 CD 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 CD . CD . . CD . N . 2 . . . . . . . . . . . . . . . . . . . . . 7415 CD stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID . CD . 7415 CD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7415 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.5, no buffer' _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 CAT_DOMAIN '[U-13C; U-15N]' . . 1 $CAT_DOMAIN . . . . . mM . . . . 7415 1 2 NaCl . . . . . . . 300 . . mM . . . . 7415 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7415 _Sample_condition_list.ID 1 _Sample_condition_list.Details '300 mM of NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 7415 1 pH 7.2 . pH 7415 1 pressure 1 . ATM 7415 1 temperature 298 . K 7415 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7415 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7415 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 7415 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7415 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 'TCI probe' . . 7415 1 2 spectrometer_2 Bruker DRX . 500 . . . 7415 1 3 spectrometer_3 Bruker Avance . 700 . . . 7415 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 7415 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 12 '2D 1H-15N HSQC T1' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 13 '2D 1H-15N HSQC T2' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 14 '2D 1H-15N HSQC NOE' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 15 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 7415 1 stop_ save_ save_3D_15N-separated_NOESY_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY_1 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D_15N-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY_2 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_13C-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H-15N_HSQC_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_3 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCO_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO_4 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCO' _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_3D_HNCA_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCA_5 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCA' _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_3D_HN(CO)CA_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CO)CA_6 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HN(CO)CA' _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_3D_CBCA(CO)NH_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH_7 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _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_3D_HNCACB_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB_8 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCACB' _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_3D_HCCH-TOCSY_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-TOCSY_9 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-TOCSY' _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_3D_HBHA(CO)NH_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHA(CO)NH_10 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HBHA(CO)NH' _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_3D_HNHA_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNHA_11 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H-15N_HSQC_T1_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_T1_12 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_2D_1H-15N_HSQC_T2_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_T2_13 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_2D_1H-15N_HSQC_NOE_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_NOE_14 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_ save_2D_1H-15N_HSQC_T1_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_T1_15 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_2D_1H-15N_HSQC_T2_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_T2_16 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_2D_1H-15N_HSQC_NOE_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_NOE_17 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_ save_2D_1H-15N_HSQC_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_18 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCO_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO_19 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '3D HNCO' _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_3D_HNCA_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCA_20 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '3D HNCA' _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_3D_CBCA(CO)NH_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH_21 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name '3D CBCA(CO)NH' _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_2D_1H-15N_HSQC_T1_22 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_T1_22 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_2D_1H-15N_HSQC_T2_23 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_T2_23 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 23 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_2D_1H-15N_HSQC_NOE_24 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_NOE_24 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 24 _NMR_spec_expt.Name '2D 1H-15N HSQC 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_ save_2D_1H-15N_HSQC_IPAP_25 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_IPAP_25 _NMR_spec_expt.Entry_ID 7415 _NMR_spec_expt.ID 25 _NMR_spec_expt.Name '2D 1H-15N HSQC IPAP' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7415 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 7415 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 7415 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 7415 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_CAT _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_CAT _Heteronucl_NOE_list.Entry_ID 7415 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'NOE ref is obtained after splitting of the spectra generating both NOE ref and NOE.' _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 . 7415 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 ARG N . . . 1 1 6 6 ARG H . . 0.640 0.032 . . . . . . . . . . 7415 1 2 . 1 1 9 9 TYR N . . . 1 1 9 9 TYR H . . 0.730 0.036 . . . . . . . . . . 7415 1 3 . 1 1 10 10 ILE N . . . 1 1 10 10 ILE H . . 0.820 0.041 . . . . . . . . . . 7415 1 4 . 1 1 11 11 THR N . . . 1 1 11 11 THR H . . 0.750 0.038 . . . . . . . . . . 7415 1 5 . 1 1 12 12 TYR N . . . 1 1 12 12 TYR H . . 0.850 0.043 . . . . . . . . . . 7415 1 6 . 1 1 13 13 ARG N . . . 1 1 13 13 ARG H . . 0.850 0.043 . . . . . . . . . . 7415 1 7 . 1 1 14 14 ILE N . . . 1 1 14 14 ILE H . . 0.780 0.039 . . . . . . . . . . 7415 1 8 . 1 1 15 15 ASN N . . . 1 1 15 15 ASN H . . 0.800 0.040 . . . . . . . . . . 7415 1 9 . 1 1 16 16 ASN N . . . 1 1 16 16 ASN H . . 0.830 0.042 . . . . . . . . . . 7415 1 10 . 1 1 17 17 TYR N . . . 1 1 17 17 TYR H . . 0.840 0.042 . . . . . . . . . . 7415 1 11 . 1 1 18 18 THR N . . . 1 1 18 18 THR H . . 0.090 0.004 . . . . . . . . . . 7415 1 12 . 1 1 20 20 ASP N . . . 1 1 20 20 ASP H . . 0.840 0.042 . . . . . . . . . . 7415 1 13 . 1 1 21 21 MET N . . . 1 1 21 21 MET H . . 0.880 0.044 . . . . . . . . . . 7415 1 14 . 1 1 22 22 ASN N . . . 1 1 22 22 ASN H . . 0.660 0.033 . . . . . . . . . . 7415 1 15 . 1 1 24 24 GLU N . . . 1 1 24 24 GLU H . . 0.780 0.039 . . . . . . . . . . 7415 1 16 . 1 1 25 25 ASP N . . . 1 1 25 25 ASP H . . 0.910 0.046 . . . . . . . . . . 7415 1 17 . 1 1 26 26 VAL N . . . 1 1 26 26 VAL H . . 0.970 0.049 . . . . . . . . . . 7415 1 18 . 1 1 27 27 ASP N . . . 1 1 27 27 ASP H . . 0.880 0.044 . . . . . . . . . . 7415 1 19 . 1 1 28 28 TYR N . . . 1 1 28 28 TYR H . . 0.820 0.041 . . . . . . . . . . 7415 1 20 . 1 1 29 29 ALA N . . . 1 1 29 29 ALA H . . 1.040 0.052 . . . . . . . . . . 7415 1 21 . 1 1 30 30 ILE N . . . 1 1 30 30 ILE H . . 0.800 0.040 . . . . . . . . . . 7415 1 22 . 1 1 31 31 ARG N . . . 1 1 31 31 ARG H . . 0.780 0.039 . . . . . . . . . . 7415 1 23 . 1 1 32 32 LYS N . . . 1 1 32 32 LYS H . . 0.750 0.038 . . . . . . . . . . 7415 1 24 . 1 1 33 33 ALA N . . . 1 1 33 33 ALA H . . 0.800 0.040 . . . . . . . . . . 7415 1 25 . 1 1 34 34 PHE N . . . 1 1 34 34 PHE H . . 0.790 0.040 . . . . . . . . . . 7415 1 26 . 1 1 35 35 GLN N . . . 1 1 35 35 GLN H . . 0.830 0.042 . . . . . . . . . . 7415 1 27 . 1 1 36 36 VAL N . . . 1 1 36 36 VAL H . . 0.990 0.050 . . . . . . . . . . 7415 1 28 . 1 1 37 37 TRP N . . . 1 1 37 37 TRP H . . 0.890 0.045 . . . . . . . . . . 7415 1 29 . 1 1 38 38 SER N . . . 1 1 38 38 SER H . . 0.950 0.048 . . . . . . . . . . 7415 1 30 . 1 1 39 39 ASN N . . . 1 1 39 39 ASN H . . 0.970 0.049 . . . . . . . . . . 7415 1 31 . 1 1 40 40 VAL N . . . 1 1 40 40 VAL H . . 0.840 0.042 . . . . . . . . . . 7415 1 32 . 1 1 41 41 THR N . . . 1 1 41 41 THR H . . 0.780 0.039 . . . . . . . . . . 7415 1 33 . 1 1 43 43 LEU N . . . 1 1 43 43 LEU H . . 0.620 0.031 . . . . . . . . . . 7415 1 34 . 1 1 44 44 LYS N . . . 1 1 44 44 LYS H . . 0.970 0.049 . . . . . . . . . . 7415 1 35 . 1 1 45 45 PHE N . . . 1 1 45 45 PHE H . . 0.910 0.046 . . . . . . . . . . 7415 1 36 . 1 1 46 46 SER N . . . 1 1 46 46 SER H . . 0.850 0.043 . . . . . . . . . . 7415 1 37 . 1 1 47 47 LYS N . . . 1 1 47 47 LYS H . . 0.820 0.041 . . . . . . . . . . 7415 1 38 . 1 1 48 48 ILE N . . . 1 1 48 48 ILE H . . 0.890 0.045 . . . . . . . . . . 7415 1 39 . 1 1 53 53 ALA N . . . 1 1 53 53 ALA H . . 0.810 0.041 . . . . . . . . . . 7415 1 40 . 1 1 55 55 ILE N . . . 1 1 55 55 ILE H . . 0.860 0.043 . . . . . . . . . . 7415 1 41 . 1 1 56 56 LEU N . . . 1 1 56 56 LEU H . . 0.940 0.047 . . . . . . . . . . 7415 1 42 . 1 1 57 57 VAL N . . . 1 1 57 57 VAL H . . 0.870 0.044 . . . . . . . . . . 7415 1 43 . 1 1 58 58 VAL N . . . 1 1 58 58 VAL H . . 0.900 0.045 . . . . . . . . . . 7415 1 44 . 1 1 59 59 PHE N . . . 1 1 59 59 PHE H . . 0.770 0.039 . . . . . . . . . . 7415 1 45 . 1 1 60 60 ALA N . . . 1 1 60 60 ALA H . . 0.780 0.039 . . . . . . . . . . 7415 1 46 . 1 1 61 61 ARG N . . . 1 1 61 61 ARG H . . 0.840 0.042 . . . . . . . . . . 7415 1 47 . 1 1 62 62 GLY N . . . 1 1 62 62 GLY H . . 0.860 0.043 . . . . . . . . . . 7415 1 48 . 1 1 64 64 HIS N . . . 1 1 64 64 HIS H . . 1.030 0.052 . . . . . . . . . . 7415 1 49 . 1 1 69 69 ALA N . . . 1 1 69 69 ALA H . . 1.020 0.051 . . . . . . . . . . 7415 1 50 . 1 1 70 70 PHE N . . . 1 1 70 70 PHE H . . 0.740 0.037 . . . . . . . . . . 7415 1 51 . 1 1 71 71 ASP N . . . 1 1 71 71 ASP H . . 0.880 0.044 . . . . . . . . . . 7415 1 52 . 1 1 72 72 GLY N . . . 1 1 72 72 GLY H . . 0.920 0.046 . . . . . . . . . . 7415 1 53 . 1 1 73 73 LYS N . . . 1 1 73 73 LYS H . . 0.610 0.030 . . . . . . . . . . 7415 1 54 . 1 1 74 74 GLY N . . . 1 1 74 74 GLY H . . 0.840 0.042 . . . . . . . . . . 7415 1 55 . 1 1 75 75 GLY N . . . 1 1 75 75 GLY H . . 0.850 0.043 . . . . . . . . . . 7415 1 56 . 1 1 76 76 ILE N . . . 1 1 76 76 ILE H . . 0.830 0.042 . . . . . . . . . . 7415 1 57 . 1 1 77 77 LEU N . . . 1 1 77 77 LEU H . . 0.710 0.035 . . . . . . . . . . 7415 1 58 . 1 1 78 78 ALA N . . . 1 1 78 78 ALA H . . 0.880 0.044 . . . . . . . . . . 7415 1 59 . 1 1 79 79 HIS N . . . 1 1 79 79 HIS H . . 0.810 0.041 . . . . . . . . . . 7415 1 60 . 1 1 80 80 ALA N . . . 1 1 80 80 ALA H . . 0.770 0.039 . . . . . . . . . . 7415 1 61 . 1 1 82 82 GLY N . . . 1 1 82 82 GLY H . . 0.810 0.041 . . . . . . . . . . 7415 1 62 . 1 1 84 84 GLY N . . . 1 1 84 84 GLY H . . 0.900 0.045 . . . . . . . . . . 7415 1 63 . 1 1 88 88 GLY N . . . 1 1 88 88 GLY H . . 0.920 0.046 . . . . . . . . . . 7415 1 64 . 1 1 89 89 GLY N . . . 1 1 89 89 GLY H . . 0.890 0.045 . . . . . . . . . . 7415 1 65 . 1 1 90 90 ASP N . . . 1 1 90 90 ASP H . . 0.780 0.039 . . . . . . . . . . 7415 1 66 . 1 1 91 91 ALA N . . . 1 1 91 91 ALA H . . 0.790 0.040 . . . . . . . . . . 7415 1 67 . 1 1 92 92 HIS N . . . 1 1 92 92 HIS H . . 1.030 0.052 . . . . . . . . . . 7415 1 68 . 1 1 93 93 PHE N . . . 1 1 93 93 PHE H . . 0.990 0.050 . . . . . . . . . . 7415 1 69 . 1 1 95 95 GLU N . . . 1 1 95 95 GLU H . . 0.630 0.032 . . . . . . . . . . 7415 1 70 . 1 1 96 96 ASP N . . . 1 1 96 96 ASP H . . 0.810 0.041 . . . . . . . . . . 7415 1 71 . 1 1 97 97 GLU N . . . 1 1 97 97 GLU H . . 0.840 0.042 . . . . . . . . . . 7415 1 72 . 1 1 98 98 PHE N . . . 1 1 98 98 PHE H . . 0.880 0.044 . . . . . . . . . . 7415 1 73 . 1 1 99 99 TRP N . . . 1 1 99 99 TRP H . . 0.820 0.041 . . . . . . . . . . 7415 1 74 . 1 1 100 100 THR N . . . 1 1 100 100 THR H . . 0.890 0.045 . . . . . . . . . . 7415 1 75 . 1 1 101 101 THR N . . . 1 1 101 101 THR H . . 0.860 0.043 . . . . . . . . . . 7415 1 76 . 1 1 102 102 HIS N . . . 1 1 102 102 HIS H . . 0.740 0.037 . . . . . . . . . . 7415 1 77 . 1 1 105 105 GLY N . . . 1 1 105 105 GLY H . . 0.880 0.044 . . . . . . . . . . 7415 1 78 . 1 1 106 106 THR N . . . 1 1 106 106 THR H . . 0.890 0.045 . . . . . . . . . . 7415 1 79 . 1 1 107 107 ASN N . . . 1 1 107 107 ASN H . . 0.870 0.044 . . . . . . . . . . 7415 1 80 . 1 1 108 108 LEU N . . . 1 1 108 108 LEU H . . 0.860 0.043 . . . . . . . . . . 7415 1 81 . 1 1 109 109 PHE N . . . 1 1 109 109 PHE H . . 0.730 0.036 . . . . . . . . . . 7415 1 82 . 1 1 110 110 LEU N . . . 1 1 110 110 LEU H . . 0.830 0.042 . . . . . . . . . . 7415 1 83 . 1 1 111 111 THR N . . . 1 1 111 111 THR H . . 0.740 0.037 . . . . . . . . . . 7415 1 84 . 1 1 112 112 ALA N . . . 1 1 112 112 ALA H . . 0.870 0.044 . . . . . . . . . . 7415 1 85 . 1 1 113 113 VAL N . . . 1 1 113 113 VAL H . . 0.740 0.037 . . . . . . . . . . 7415 1 86 . 1 1 114 114 HIS N . . . 1 1 114 114 HIS H . . 0.940 0.047 . . . . . . . . . . 7415 1 87 . 1 1 115 115 GLU N . . . 1 1 115 115 GLU H . . 0.820 0.041 . . . . . . . . . . 7415 1 88 . 1 1 116 116 ILE N . . . 1 1 116 116 ILE H . . 0.810 0.041 . . . . . . . . . . 7415 1 89 . 1 1 117 117 GLY N . . . 1 1 117 117 GLY H . . 0.860 0.043 . . . . . . . . . . 7415 1 90 . 1 1 118 118 HIS N . . . 1 1 118 118 HIS H . . 0.850 0.043 . . . . . . . . . . 7415 1 91 . 1 1 119 119 SER N . . . 1 1 119 119 SER H . . 0.810 0.041 . . . . . . . . . . 7415 1 92 . 1 1 120 120 LEU N . . . 1 1 120 120 LEU H . . 0.880 0.044 . . . . . . . . . . 7415 1 93 . 1 1 121 121 GLY N . . . 1 1 121 121 GLY H . . 0.750 0.038 . . . . . . . . . . 7415 1 94 . 1 1 122 122 LEU N . . . 1 1 122 122 LEU H . . 0.940 0.047 . . . . . . . . . . 7415 1 95 . 1 1 123 123 GLY N . . . 1 1 123 123 GLY H . . 0.730 0.036 . . . . . . . . . . 7415 1 96 . 1 1 125 125 SER N . . . 1 1 125 125 SER H . . 0.840 0.042 . . . . . . . . . . 7415 1 97 . 1 1 126 126 SER N . . . 1 1 126 126 SER H . . 0.960 0.048 . . . . . . . . . . 7415 1 98 . 1 1 127 127 ASP N . . . 1 1 127 127 ASP H . . 0.740 0.037 . . . . . . . . . . 7415 1 99 . 1 1 129 129 LYS N . . . 1 1 129 129 LYS H . . 0.890 0.045 . . . . . . . . . . 7415 1 100 . 1 1 130 130 ALA N . . . 1 1 130 130 ALA H . . 0.710 0.035 . . . . . . . . . . 7415 1 101 . 1 1 131 131 VAL N . . . 1 1 131 131 VAL H . . 0.850 0.043 . . . . . . . . . . 7415 1 102 . 1 1 132 132 MET N . . . 1 1 132 132 MET H . . 0.800 0.040 . . . . . . . . . . 7415 1 103 . 1 1 133 133 PHE N . . . 1 1 133 133 PHE H . . 0.970 0.049 . . . . . . . . . . 7415 1 104 . 1 1 135 135 THR N . . . 1 1 135 135 THR H . . 0.660 0.033 . . . . . . . . . . 7415 1 105 . 1 1 136 136 TYR N . . . 1 1 136 136 TYR H . . 0.800 0.040 . . . . . . . . . . 7415 1 106 . 1 1 137 137 LYS N . . . 1 1 137 137 LYS H . . 0.860 0.043 . . . . . . . . . . 7415 1 107 . 1 1 138 138 TYR N . . . 1 1 138 138 TYR H . . 0.760 0.038 . . . . . . . . . . 7415 1 108 . 1 1 139 139 VAL N . . . 1 1 139 139 VAL H . . 0.870 0.044 . . . . . . . . . . 7415 1 109 . 1 1 140 140 ASP N . . . 1 1 140 140 ASP H . . 0.760 0.038 . . . . . . . . . . 7415 1 110 . 1 1 141 141 ILE N . . . 1 1 141 141 ILE H . . 0.760 0.038 . . . . . . . . . . 7415 1 111 . 1 1 142 142 ASN N . . . 1 1 142 142 ASN H . . 0.950 0.048 . . . . . . . . . . 7415 1 112 . 1 1 143 143 THR N . . . 1 1 143 143 THR H . . 0.730 0.036 . . . . . . . . . . 7415 1 113 . 1 1 144 144 PHE N . . . 1 1 144 144 PHE H . . 0.700 0.035 . . . . . . . . . . 7415 1 114 . 1 1 145 145 ARG N . . . 1 1 145 145 ARG H . . 0.790 0.040 . . . . . . . . . . 7415 1 115 . 1 1 146 146 LEU N . . . 1 1 146 146 LEU H . . 0.680 0.034 . . . . . . . . . . 7415 1 116 . 1 1 147 147 SER N . . . 1 1 147 147 SER H . . 0.650 0.033 . . . . . . . . . . 7415 1 117 . 1 1 150 150 ASP N . . . 1 1 150 150 ASP H . . 0.750 0.038 . . . . . . . . . . 7415 1 118 . 1 1 151 151 ILE N . . . 1 1 151 151 ILE H . . 0.850 0.043 . . . . . . . . . . 7415 1 119 . 1 1 152 152 ARG N . . . 1 1 152 152 ARG H . . 0.950 0.048 . . . . . . . . . . 7415 1 120 . 1 1 153 153 GLY N . . . 1 1 153 153 GLY H . . 0.830 0.042 . . . . . . . . . . 7415 1 121 . 1 1 154 154 ILE N . . . 1 1 154 154 ILE H . . 0.850 0.043 . . . . . . . . . . 7415 1 122 . 1 1 155 155 GLN N . . . 1 1 155 155 GLN H . . 0.740 0.037 . . . . . . . . . . 7415 1 123 . 1 1 156 156 SER N . . . 1 1 156 156 SER H . . 0.690 0.034 . . . . . . . . . . 7415 1 124 . 1 1 157 157 LEU N . . . 1 1 157 157 LEU H . . 0.700 0.035 . . . . . . . . . . 7415 1 125 . 1 1 158 158 TYR N . . . 1 1 158 158 TYR H . . 0.870 0.044 . . . . . . . . . . 7415 1 126 . 1 1 159 159 GLY N . . . 1 1 159 159 GLY H . . 0.900 0.045 . . . . . . . . . . 7415 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_R1_CAT _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_R1_CAT _Heteronucl_T1_list.Entry_ID 7415 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 7415 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 6 6 ARG N . . 1.021 0.051 . . . . . 7415 1 2 . 1 1 9 9 TYR N . . 0.986 0.049 . . . . . 7415 1 3 . 1 1 10 10 ILE N . . 0.977 0.049 . . . . . 7415 1 4 . 1 1 11 11 THR N . . 1.034 0.052 . . . . . 7415 1 5 . 1 1 12 12 TYR N . . 1.084 0.054 . . . . . 7415 1 6 . 1 1 13 13 ARG N . . 1.054 0.053 . . . . . 7415 1 7 . 1 1 14 14 ILE N . . 1.056 0.053 . . . . . 7415 1 8 . 1 1 15 15 ASN N . . 1.056 0.053 . . . . . 7415 1 9 . 1 1 16 16 ASN N . . 1.157 0.058 . . . . . 7415 1 10 . 1 1 17 17 TYR N . . 0.981 0.049 . . . . . 7415 1 11 . 1 1 18 18 THR N . . 0.998 0.050 . . . . . 7415 1 12 . 1 1 20 20 ASP N . . 1.094 0.055 . . . . . 7415 1 13 . 1 1 21 21 MET N . . 1.051 0.053 . . . . . 7415 1 14 . 1 1 22 22 ASN N . . 1.040 0.052 . . . . . 7415 1 15 . 1 1 24 24 GLU N . . 1.111 0.056 . . . . . 7415 1 16 . 1 1 25 25 ASP N . . 1.025 0.051 . . . . . 7415 1 17 . 1 1 26 26 VAL N . . 1.033 0.052 . . . . . 7415 1 18 . 1 1 27 27 ASP N . . 1.003 0.050 . . . . . 7415 1 19 . 1 1 28 28 TYR N . . 1.040 0.052 . . . . . 7415 1 20 . 1 1 29 29 ALA N . . 0.937 0.047 . . . . . 7415 1 21 . 1 1 30 30 ILE N . . 0.983 0.049 . . . . . 7415 1 22 . 1 1 31 31 ARG N . . 1.007 0.050 . . . . . 7415 1 23 . 1 1 32 32 LYS N . . 1.249 0.062 . . . . . 7415 1 24 . 1 1 33 33 ALA N . . 1.034 0.052 . . . . . 7415 1 25 . 1 1 34 34 PHE N . . 0.979 0.049 . . . . . 7415 1 26 . 1 1 35 35 GLN N . . 1.002 0.050 . . . . . 7415 1 27 . 1 1 36 36 VAL N . . 0.934 0.047 . . . . . 7415 1 28 . 1 1 37 37 TRP N . . 1.027 0.051 . . . . . 7415 1 29 . 1 1 38 38 SER N . . 1.020 0.051 . . . . . 7415 1 30 . 1 1 39 39 ASN N . . 1.052 0.053 . . . . . 7415 1 31 . 1 1 40 40 VAL N . . 0.968 0.048 . . . . . 7415 1 32 . 1 1 41 41 THR N . . 1.023 0.051 . . . . . 7415 1 33 . 1 1 43 43 LEU N . . 1.004 0.050 . . . . . 7415 1 34 . 1 1 44 44 LYS N . . 1.004 0.050 . . . . . 7415 1 35 . 1 1 45 45 PHE N . . 0.960 0.048 . . . . . 7415 1 36 . 1 1 46 46 SER N . . 0.958 0.048 . . . . . 7415 1 37 . 1 1 47 47 LYS N . . 1.080 0.054 . . . . . 7415 1 38 . 1 1 48 48 ILE N . . 1.112 0.056 . . . . . 7415 1 39 . 1 1 51 51 GLY N . . 1.111 0.056 . . . . . 7415 1 40 . 1 1 52 52 MET N . . 1.060 0.053 . . . . . 7415 1 41 . 1 1 53 53 ALA N . . 1.019 0.051 . . . . . 7415 1 42 . 1 1 55 55 ILE N . . 1.017 0.051 . . . . . 7415 1 43 . 1 1 56 56 LEU N . . 1.043 0.052 . . . . . 7415 1 44 . 1 1 57 57 VAL N . . 0.972 0.049 . . . . . 7415 1 45 . 1 1 58 58 VAL N . . 1.005 0.050 . . . . . 7415 1 46 . 1 1 59 59 PHE N . . 0.949 0.047 . . . . . 7415 1 47 . 1 1 60 60 ALA N . . 1.023 0.051 . . . . . 7415 1 48 . 1 1 61 61 ARG N . . 1.075 0.054 . . . . . 7415 1 49 . 1 1 62 62 GLY N . . 1.060 0.053 . . . . . 7415 1 50 . 1 1 64 64 HIS N . . 1.005 0.050 . . . . . 7415 1 51 . 1 1 69 69 ALA N . . 1.078 0.054 . . . . . 7415 1 52 . 1 1 70 70 PHE N . . 1.356 0.068 . . . . . 7415 1 53 . 1 1 71 71 ASP N . . 1.073 0.054 . . . . . 7415 1 54 . 1 1 72 72 GLY N . . 1.086 0.054 . . . . . 7415 1 55 . 1 1 73 73 LYS N . . 1.077 0.054 . . . . . 7415 1 56 . 1 1 74 74 GLY N . . 1.062 0.053 . . . . . 7415 1 57 . 1 1 75 75 GLY N . . 1.114 0.056 . . . . . 7415 1 58 . 1 1 76 76 ILE N . . 1.026 0.051 . . . . . 7415 1 59 . 1 1 77 77 LEU N . . 1.011 0.051 . . . . . 7415 1 60 . 1 1 78 78 ALA N . . 0.976 0.049 . . . . . 7415 1 61 . 1 1 79 79 HIS N . . 1.030 0.052 . . . . . 7415 1 62 . 1 1 80 80 ALA N . . 0.905 0.045 . . . . . 7415 1 63 . 1 1 82 82 GLY N . . 1.062 0.053 . . . . . 7415 1 64 . 1 1 84 84 GLY N . . 1.028 0.051 . . . . . 7415 1 65 . 1 1 88 88 GLY N . . 1.151 0.058 . . . . . 7415 1 66 . 1 1 89 89 GLY N . . 1.088 0.054 . . . . . 7415 1 67 . 1 1 90 90 ASP N . . 1.134 0.057 . . . . . 7415 1 68 . 1 1 91 91 ALA N . . 1.046 0.052 . . . . . 7415 1 69 . 1 1 92 92 HIS N . . 1.005 0.050 . . . . . 7415 1 70 . 1 1 93 93 PHE N . . 1.022 0.051 . . . . . 7415 1 71 . 1 1 95 95 GLU N . . 1.176 0.059 . . . . . 7415 1 72 . 1 1 96 96 ASP N . . 1.062 0.053 . . . . . 7415 1 73 . 1 1 97 97 GLU N . . 1.091 0.055 . . . . . 7415 1 74 . 1 1 98 98 PHE N . . 1.043 0.052 . . . . . 7415 1 75 . 1 1 99 99 TRP N . . 1.101 0.055 . . . . . 7415 1 76 . 1 1 100 100 THR N . . 1.157 0.058 . . . . . 7415 1 77 . 1 1 101 101 THR N . . 1.117 0.056 . . . . . 7415 1 78 . 1 1 102 102 HIS N . . 1.044 0.052 . . . . . 7415 1 79 . 1 1 105 105 GLY N . . 1.139 0.057 . . . . . 7415 1 80 . 1 1 106 106 THR N . . 1.042 0.052 . . . . . 7415 1 81 . 1 1 107 107 ASN N . . 1.031 0.052 . . . . . 7415 1 82 . 1 1 108 108 LEU N . . 1.107 0.055 . . . . . 7415 1 83 . 1 1 109 109 PHE N . . 1.004 0.050 . . . . . 7415 1 84 . 1 1 110 110 LEU N . . 1.023 0.051 . . . . . 7415 1 85 . 1 1 111 111 THR N . . 1.025 0.051 . . . . . 7415 1 86 . 1 1 112 112 ALA N . . 1.076 0.054 . . . . . 7415 1 87 . 1 1 113 113 VAL N . . 0.988 0.049 . . . . . 7415 1 88 . 1 1 114 114 HIS N . . 1.002 0.050 . . . . . 7415 1 89 . 1 1 115 115 GLU N . . 1.020 0.051 . . . . . 7415 1 90 . 1 1 116 116 ILE N . . 1.002 0.050 . . . . . 7415 1 91 . 1 1 117 117 GLY N . . 1.032 0.052 . . . . . 7415 1 92 . 1 1 118 118 HIS N . . 1.056 0.053 . . . . . 7415 1 93 . 1 1 119 119 SER N . . 1.058 0.053 . . . . . 7415 1 94 . 1 1 120 120 LEU N . . 1.007 0.050 . . . . . 7415 1 95 . 1 1 121 121 GLY N . . 1.000 0.050 . . . . . 7415 1 96 . 1 1 122 122 LEU N . . 1.107 0.055 . . . . . 7415 1 97 . 1 1 123 123 GLY N . . 1.095 0.055 . . . . . 7415 1 98 . 1 1 124 124 HIS N . . 0.840 0.042 . . . . . 7415 1 99 . 1 1 125 125 SER N . . 0.983 0.049 . . . . . 7415 1 100 . 1 1 126 126 SER N . . 1.089 0.054 . . . . . 7415 1 101 . 1 1 127 127 ASP N . . 1.096 0.055 . . . . . 7415 1 102 . 1 1 129 129 LYS N . . 1.017 0.051 . . . . . 7415 1 103 . 1 1 130 130 ALA N . . 1.111 0.056 . . . . . 7415 1 104 . 1 1 131 131 VAL N . . 1.016 0.051 . . . . . 7415 1 105 . 1 1 132 132 MET N . . 1.078 0.054 . . . . . 7415 1 106 . 1 1 133 133 PHE N . . 1.153 0.058 . . . . . 7415 1 107 . 1 1 135 135 THR N . . 0.876 0.044 . . . . . 7415 1 108 . 1 1 136 136 TYR N . . 1.046 0.052 . . . . . 7415 1 109 . 1 1 137 137 LYS N . . 1.004 0.050 . . . . . 7415 1 110 . 1 1 138 138 TYR N . . 1.134 0.057 . . . . . 7415 1 111 . 1 1 139 139 VAL N . . 1.034 0.052 . . . . . 7415 1 112 . 1 1 140 140 ASP N . . 1.091 0.055 . . . . . 7415 1 113 . 1 1 141 141 ILE N . . 1.134 0.057 . . . . . 7415 1 114 . 1 1 142 142 ASN N . . 1.125 0.056 . . . . . 7415 1 115 . 1 1 143 143 THR N . . 1.157 0.058 . . . . . 7415 1 116 . 1 1 144 144 PHE N . . 1.121 0.056 . . . . . 7415 1 117 . 1 1 145 145 ARG N . . 1.105 0.055 . . . . . 7415 1 118 . 1 1 146 146 LEU N . . 1.072 0.054 . . . . . 7415 1 119 . 1 1 147 147 SER N . . 1.059 0.053 . . . . . 7415 1 120 . 1 1 150 150 ASP N . . 1.041 0.052 . . . . . 7415 1 121 . 1 1 151 151 ILE N . . 1.009 0.050 . . . . . 7415 1 122 . 1 1 152 152 ARG N . . 0.854 0.043 . . . . . 7415 1 123 . 1 1 153 153 GLY N . . 1.048 0.052 . . . . . 7415 1 124 . 1 1 154 154 ILE N . . 1.056 0.053 . . . . . 7415 1 125 . 1 1 155 155 GLN N . . 1.105 0.055 . . . . . 7415 1 126 . 1 1 156 156 SER N . . 0.967 0.048 . . . . . 7415 1 127 . 1 1 157 157 LEU N . . 0.968 0.048 . . . . . 7415 1 128 . 1 1 158 158 TYR N . . 1.059 0.053 . . . . . 7415 1 129 . 1 1 159 159 GLY N . . 1.089 0.054 . . . . . 7415 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_R2_CAT _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_R2_CAT _Heteronucl_T2_list.Entry_ID 7415 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 . 7415 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 6 6 ARG N . . 16.70 0.83 . . . . . . . 7415 1 2 . 1 1 9 9 TYR N . . 16.22 0.81 . . . . . . . 7415 1 3 . 1 1 10 10 ILE N . . 16.80 0.84 . . . . . . . 7415 1 4 . 1 1 11 11 THR N . . 17.66 0.88 . . . . . . . 7415 1 5 . 1 1 12 12 TYR N . . 18.26 0.91 . . . . . . . 7415 1 6 . 1 1 13 13 ARG N . . 16.85 0.84 . . . . . . . 7415 1 7 . 1 1 14 14 ILE N . . 16.17 0.81 . . . . . . . 7415 1 8 . 1 1 15 15 ASN N . . 16.75 0.84 . . . . . . . 7415 1 9 . 1 1 16 16 ASN N . . 17.26 0.86 . . . . . . . 7415 1 10 . 1 1 17 17 TYR N . . 15.88 0.79 . . . . . . . 7415 1 11 . 1 1 18 18 THR N . . 7.86 0.39 . . . . . . . 7415 1 12 . 1 1 20 20 ASP N . . 17.38 0.87 . . . . . . . 7415 1 13 . 1 1 21 21 MET N . . 16.65 0.83 . . . . . . . 7415 1 14 . 1 1 22 22 ASN N . . 16.56 0.83 . . . . . . . 7415 1 15 . 1 1 24 24 GLU N . . 17.24 0.86 . . . . . . . 7415 1 16 . 1 1 25 25 ASP N . . 17.67 0.88 . . . . . . . 7415 1 17 . 1 1 26 26 VAL N . . 17.46 0.87 . . . . . . . 7415 1 18 . 1 1 27 27 ASP N . . 16.71 0.84 . . . . . . . 7415 1 19 . 1 1 28 28 TYR N . . 17.25 0.86 . . . . . . . 7415 1 20 . 1 1 29 29 ALA N . . 20.03 1.00 . . . . . . . 7415 1 21 . 1 1 30 30 ILE N . . 16.47 0.82 . . . . . . . 7415 1 22 . 1 1 31 31 ARG N . . 18.34 0.92 . . . . . . . 7415 1 23 . 1 1 32 32 LYS N . . 18.72 0.94 . . . . . . . 7415 1 24 . 1 1 33 33 ALA N . . 16.37 0.82 . . . . . . . 7415 1 25 . 1 1 34 34 PHE N . . 15.16 0.76 . . . . . . . 7415 1 26 . 1 1 35 35 GLN N . . 17.26 0.86 . . . . . . . 7415 1 27 . 1 1 36 36 VAL N . . 18.35 0.92 . . . . . . . 7415 1 28 . 1 1 37 37 TRP N . . 16.30 0.82 . . . . . . . 7415 1 29 . 1 1 38 38 SER N . . 17.81 0.89 . . . . . . . 7415 1 30 . 1 1 39 39 ASN N . . 17.22 0.86 . . . . . . . 7415 1 31 . 1 1 40 40 VAL N . . 16.03 0.80 . . . . . . . 7415 1 32 . 1 1 41 41 THR N . . 15.79 0.79 . . . . . . . 7415 1 33 . 1 1 43 43 LEU N . . 14.83 0.74 . . . . . . . 7415 1 34 . 1 1 44 44 LYS N . . 15.20 0.76 . . . . . . . 7415 1 35 . 1 1 45 45 PHE N . . 15.74 0.79 . . . . . . . 7415 1 36 . 1 1 46 46 SER N . . 15.17 0.76 . . . . . . . 7415 1 37 . 1 1 47 47 LYS N . . 16.27 0.81 . . . . . . . 7415 1 38 . 1 1 48 48 ILE N . . 16.41 0.82 . . . . . . . 7415 1 39 . 1 1 51 51 GLY N . . 17.93 0.90 . . . . . . . 7415 1 40 . 1 1 52 52 MET N . . 17.32 0.87 . . . . . . . 7415 1 41 . 1 1 53 53 ALA N . . 12.22 0.61 . . . . . . . 7415 1 42 . 1 1 55 55 ILE N . . 21.54 1.08 . . . . . . . 7415 1 43 . 1 1 56 56 LEU N . . 16.67 0.83 . . . . . . . 7415 1 44 . 1 1 57 57 VAL N . . 15.55 0.78 . . . . . . . 7415 1 45 . 1 1 58 58 VAL N . . 15.82 0.79 . . . . . . . 7415 1 46 . 1 1 59 59 PHE N . . 15.55 0.78 . . . . . . . 7415 1 47 . 1 1 60 60 ALA N . . 16.23 0.81 . . . . . . . 7415 1 48 . 1 1 61 61 ARG N . . 15.90 0.80 . . . . . . . 7415 1 49 . 1 1 62 62 GLY N . . 19.58 0.98 . . . . . . . 7415 1 50 . 1 1 64 64 HIS N . . 17.41 0.87 . . . . . . . 7415 1 51 . 1 1 69 69 ALA N . . 21.34 1.07 . . . . . . . 7415 1 52 . 1 1 70 70 PHE N . . 14.76 0.74 . . . . . . . 7415 1 53 . 1 1 71 71 ASP N . . 16.94 0.85 . . . . . . . 7415 1 54 . 1 1 72 72 GLY N . . 18.11 0.91 . . . . . . . 7415 1 55 . 1 1 73 73 LYS N . . 17.27 0.86 . . . . . . . 7415 1 56 . 1 1 74 74 GLY N . . 16.48 0.82 . . . . . . . 7415 1 57 . 1 1 75 75 GLY N . . 17.90 0.90 . . . . . . . 7415 1 58 . 1 1 76 76 ILE N . . 16.41 0.82 . . . . . . . 7415 1 59 . 1 1 77 77 LEU N . . 17.27 0.86 . . . . . . . 7415 1 60 . 1 1 78 78 ALA N . . 16.42 0.82 . . . . . . . 7415 1 61 . 1 1 79 79 HIS N . . 17.30 0.87 . . . . . . . 7415 1 62 . 1 1 80 80 ALA N . . 9.56 0.48 . . . . . . . 7415 1 63 . 1 1 82 82 GLY N . . 15.98 0.80 . . . . . . . 7415 1 64 . 1 1 84 84 GLY N . . 16.39 0.82 . . . . . . . 7415 1 65 . 1 1 88 88 GLY N . . 19.60 0.98 . . . . . . . 7415 1 66 . 1 1 89 89 GLY N . . 22.46 1.12 . . . . . . . 7415 1 67 . 1 1 90 90 ASP N . . 16.40 0.82 . . . . . . . 7415 1 68 . 1 1 91 91 ALA N . . 17.90 0.90 . . . . . . . 7415 1 69 . 1 1 92 92 HIS N . . 17.36 0.87 . . . . . . . 7415 1 70 . 1 1 93 93 PHE N . . 16.83 0.84 . . . . . . . 7415 1 71 . 1 1 95 95 GLU N . . 9.07 0.45 . . . . . . . 7415 1 72 . 1 1 96 96 ASP N . . 17.84 0.89 . . . . . . . 7415 1 73 . 1 1 97 97 GLU N . . 18.23 0.91 . . . . . . . 7415 1 74 . 1 1 98 98 PHE N . . 20.00 1.00 . . . . . . . 7415 1 75 . 1 1 99 99 TRP N . . 18.85 0.94 . . . . . . . 7415 1 76 . 1 1 100 100 THR N . . 18.78 0.94 . . . . . . . 7415 1 77 . 1 1 101 101 THR N . . 17.47 0.87 . . . . . . . 7415 1 78 . 1 1 102 102 HIS N . . 19.97 1.00 . . . . . . . 7415 1 79 . 1 1 105 105 GLY N . . 14.41 0.72 . . . . . . . 7415 1 80 . 1 1 106 106 THR N . . 15.98 0.80 . . . . . . . 7415 1 81 . 1 1 107 107 ASN N . . 16.84 0.84 . . . . . . . 7415 1 82 . 1 1 108 108 LEU N . . 17.82 0.89 . . . . . . . 7415 1 83 . 1 1 109 109 PHE N . . 16.97 0.85 . . . . . . . 7415 1 84 . 1 1 110 110 LEU N . . 19.29 0.96 . . . . . . . 7415 1 85 . 1 1 111 111 THR N . . 15.57 0.78 . . . . . . . 7415 1 86 . 1 1 112 112 ALA N . . 16.49 0.82 . . . . . . . 7415 1 87 . 1 1 113 113 VAL N . . 17.24 0.86 . . . . . . . 7415 1 88 . 1 1 114 114 HIS N . . 18.04 0.90 . . . . . . . 7415 1 89 . 1 1 115 115 GLU N . . 17.18 0.86 . . . . . . . 7415 1 90 . 1 1 116 116 ILE N . . 17.15 0.86 . . . . . . . 7415 1 91 . 1 1 117 117 GLY N . . 17.49 0.87 . . . . . . . 7415 1 92 . 1 1 118 118 HIS N . . 17.43 0.87 . . . . . . . 7415 1 93 . 1 1 119 119 SER N . . 18.70 0.94 . . . . . . . 7415 1 94 . 1 1 120 120 LEU N . . 17.11 0.86 . . . . . . . 7415 1 95 . 1 1 121 121 GLY N . . 17.81 0.89 . . . . . . . 7415 1 96 . 1 1 122 122 LEU N . . 18.88 0.94 . . . . . . . 7415 1 97 . 1 1 123 123 GLY N . . 17.66 0.88 . . . . . . . 7415 1 98 . 1 1 124 124 HIS N . . 12.38 0.62 . . . . . . . 7415 1 99 . 1 1 125 125 SER N . . 16.31 0.82 . . . . . . . 7415 1 100 . 1 1 126 126 SER N . . 17.76 0.89 . . . . . . . 7415 1 101 . 1 1 127 127 ASP N . . 16.92 0.85 . . . . . . . 7415 1 102 . 1 1 129 129 LYS N . . 16.71 0.84 . . . . . . . 7415 1 103 . 1 1 130 130 ALA N . . 16.40 0.82 . . . . . . . 7415 1 104 . 1 1 131 131 VAL N . . 17.25 0.86 . . . . . . . 7415 1 105 . 1 1 132 132 MET N . . 17.24 0.86 . . . . . . . 7415 1 106 . 1 1 133 133 PHE N . . 18.28 0.91 . . . . . . . 7415 1 107 . 1 1 135 135 THR N . . 14.92 0.75 . . . . . . . 7415 1 108 . 1 1 136 136 TYR N . . 16.33 0.82 . . . . . . . 7415 1 109 . 1 1 137 137 LYS N . . 15.47 0.77 . . . . . . . 7415 1 110 . 1 1 138 138 TYR N . . 15.07 0.75 . . . . . . . 7415 1 111 . 1 1 139 139 VAL N . . 15.04 0.75 . . . . . . . 7415 1 112 . 1 1 140 140 ASP N . . 15.29 0.76 . . . . . . . 7415 1 113 . 1 1 141 141 ILE N . . 15.68 0.78 . . . . . . . 7415 1 114 . 1 1 142 142 ASN N . . 17.72 0.89 . . . . . . . 7415 1 115 . 1 1 143 143 THR N . . 15.84 0.79 . . . . . . . 7415 1 116 . 1 1 144 144 PHE N . . 15.47 0.77 . . . . . . . 7415 1 117 . 1 1 145 145 ARG N . . 14.30 0.72 . . . . . . . 7415 1 118 . 1 1 146 146 LEU N . . 15.39 0.77 . . . . . . . 7415 1 119 . 1 1 147 147 SER N . . 16.41 0.82 . . . . . . . 7415 1 120 . 1 1 150 150 ASP N . . 17.84 0.89 . . . . . . . 7415 1 121 . 1 1 151 151 ILE N . . 17.32 0.87 . . . . . . . 7415 1 122 . 1 1 152 152 ARG N . . 17.22 0.86 . . . . . . . 7415 1 123 . 1 1 153 153 GLY N . . 16.42 0.82 . . . . . . . 7415 1 124 . 1 1 154 154 ILE N . . 16.08 0.80 . . . . . . . 7415 1 125 . 1 1 155 155 GLN N . . 18.08 0.90 . . . . . . . 7415 1 126 . 1 1 156 156 SER N . . 13.24 0.66 . . . . . . . 7415 1 127 . 1 1 157 157 LEU N . . 16.51 0.83 . . . . . . . 7415 1 128 . 1 1 158 158 TYR N . . 17.14 0.86 . . . . . . . 7415 1 129 . 1 1 159 159 GLY N . . 17.72 0.89 . . . . . . . 7415 1 stop_ save_