data_52261 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52261 _Entry.Title ; 15N relaxation rates for apo G126 PHPT1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-05 _Entry.Accession_date 2024-01-05 _Entry.Last_release_date 2024-01-06 _Entry.Original_release_date 2024-01-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Erik Zavala . . . 0000-0001-6293-3461 52261 2 Stephen Dansereau . . . . 52261 3 Joseph Loria . P. . . 52261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 52261 heteronucl_T1_relaxation 1 52261 heteronucl_T2_relaxation 1 52261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 83 52261 'T2 relaxation values' 87 52261 'heteronuclear NOE values' 85 52261 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 . . 2024-05-15 . original BMRB . 52261 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52260 '15N relaxation rates for apo WT PHPT1 (R1, R2, NOE)' 52261 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52261 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38747379 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A salt bridge of the C-terminal carboxyl group regulates PHPT1 substrate affinity and catalytic activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 6 _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 e5009 _Citation.Page_last e5009 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Erik Zavala . . . . 52261 1 2 Stephen Dansereau . . . . 52261 1 3 Michael Burke . J. . . 52261 1 4 James Lipchock . M. . . 52261 1 5 Federica Maschietto . . . . 52261 1 6 Victor Batista . . . . 52261 1 7 Joseph Loria . P. . . 52261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52261 _Assembly.ID 1 _Assembly.Name 'Apo G126 PHPT1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PHPT1 1 $entity_1 . . yes native yes no . . . 52261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAVADLALIPDVDIDSDGVF KYVLIRVHSAPRSGAPAAES KEIVRGYKWAEYHADIYDKV SGDMQKQGCDCECLGGGRIS HQSQDKKIHVYGYSMAYGPA QHAISTEKIKAKYPDYEVTW ANDGYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . MET . 52261 1 2 . ALA . 52261 1 3 . VAL . 52261 1 4 . ALA . 52261 1 5 . ASP . 52261 1 6 . LEU . 52261 1 7 . ALA . 52261 1 8 . LEU . 52261 1 9 . ILE . 52261 1 10 . PRO . 52261 1 11 . ASP . 52261 1 12 . VAL . 52261 1 13 . ASP . 52261 1 14 . ILE . 52261 1 15 . ASP . 52261 1 16 . SER . 52261 1 17 . ASP . 52261 1 18 . GLY . 52261 1 19 . VAL . 52261 1 20 . PHE . 52261 1 21 . LYS . 52261 1 22 . TYR . 52261 1 23 . VAL . 52261 1 24 . LEU . 52261 1 25 . ILE . 52261 1 26 . ARG . 52261 1 27 . VAL . 52261 1 28 . HIS . 52261 1 29 . SER . 52261 1 30 . ALA . 52261 1 31 . PRO . 52261 1 32 . ARG . 52261 1 33 . SER . 52261 1 34 . GLY . 52261 1 35 . ALA . 52261 1 36 . PRO . 52261 1 37 . ALA . 52261 1 38 . ALA . 52261 1 39 . GLU . 52261 1 40 . SER . 52261 1 41 . LYS . 52261 1 42 . GLU . 52261 1 43 . ILE . 52261 1 44 . VAL . 52261 1 45 . ARG . 52261 1 46 . GLY . 52261 1 47 . TYR . 52261 1 48 . LYS . 52261 1 49 . TRP . 52261 1 50 . ALA . 52261 1 51 . GLU . 52261 1 52 . TYR . 52261 1 53 . HIS . 52261 1 54 . ALA . 52261 1 55 . ASP . 52261 1 56 . ILE . 52261 1 57 . TYR . 52261 1 58 . ASP . 52261 1 59 . LYS . 52261 1 60 . VAL . 52261 1 61 . SER . 52261 1 62 . GLY . 52261 1 63 . ASP . 52261 1 64 . MET . 52261 1 65 . GLN . 52261 1 66 . LYS . 52261 1 67 . GLN . 52261 1 68 . GLY . 52261 1 69 . CYS . 52261 1 70 . ASP . 52261 1 71 . CYS . 52261 1 72 . GLU . 52261 1 73 . CYS . 52261 1 74 . LEU . 52261 1 75 . GLY . 52261 1 76 . GLY . 52261 1 77 . GLY . 52261 1 78 . ARG . 52261 1 79 . ILE . 52261 1 80 . SER . 52261 1 81 . HIS . 52261 1 82 . GLN . 52261 1 83 . SER . 52261 1 84 . GLN . 52261 1 85 . ASP . 52261 1 86 . LYS . 52261 1 87 . LYS . 52261 1 88 . ILE . 52261 1 89 . HIS . 52261 1 90 . VAL . 52261 1 91 . TYR . 52261 1 92 . GLY . 52261 1 93 . TYR . 52261 1 94 . SER . 52261 1 95 . MET . 52261 1 96 . ALA . 52261 1 97 . TYR . 52261 1 98 . GLY . 52261 1 99 . PRO . 52261 1 100 . ALA . 52261 1 101 . GLN . 52261 1 102 . HIS . 52261 1 103 . ALA . 52261 1 104 . ILE . 52261 1 105 . SER . 52261 1 106 . THR . 52261 1 107 . GLU . 52261 1 108 . LYS . 52261 1 109 . ILE . 52261 1 110 . LYS . 52261 1 111 . ALA . 52261 1 112 . LYS . 52261 1 113 . TYR . 52261 1 114 . PRO . 52261 1 115 . ASP . 52261 1 116 . TYR . 52261 1 117 . GLU . 52261 1 118 . VAL . 52261 1 119 . THR . 52261 1 120 . TRP . 52261 1 121 . ALA . 52261 1 122 . ASN . 52261 1 123 . ASP . 52261 1 124 . GLY . 52261 1 125 . TYR . 52261 1 126 . GLY . 52261 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 52261 1 . ALA 2 2 52261 1 . VAL 3 3 52261 1 . ALA 4 4 52261 1 . ASP 5 5 52261 1 . LEU 6 6 52261 1 . ALA 7 7 52261 1 . LEU 8 8 52261 1 . ILE 9 9 52261 1 . PRO 10 10 52261 1 . ASP 11 11 52261 1 . VAL 12 12 52261 1 . ASP 13 13 52261 1 . ILE 14 14 52261 1 . ASP 15 15 52261 1 . SER 16 16 52261 1 . ASP 17 17 52261 1 . GLY 18 18 52261 1 . VAL 19 19 52261 1 . PHE 20 20 52261 1 . LYS 21 21 52261 1 . TYR 22 22 52261 1 . VAL 23 23 52261 1 . LEU 24 24 52261 1 . ILE 25 25 52261 1 . ARG 26 26 52261 1 . VAL 27 27 52261 1 . HIS 28 28 52261 1 . SER 29 29 52261 1 . ALA 30 30 52261 1 . PRO 31 31 52261 1 . ARG 32 32 52261 1 . SER 33 33 52261 1 . GLY 34 34 52261 1 . ALA 35 35 52261 1 . PRO 36 36 52261 1 . ALA 37 37 52261 1 . ALA 38 38 52261 1 . GLU 39 39 52261 1 . SER 40 40 52261 1 . LYS 41 41 52261 1 . GLU 42 42 52261 1 . ILE 43 43 52261 1 . VAL 44 44 52261 1 . ARG 45 45 52261 1 . GLY 46 46 52261 1 . TYR 47 47 52261 1 . LYS 48 48 52261 1 . TRP 49 49 52261 1 . ALA 50 50 52261 1 . GLU 51 51 52261 1 . TYR 52 52 52261 1 . HIS 53 53 52261 1 . ALA 54 54 52261 1 . ASP 55 55 52261 1 . ILE 56 56 52261 1 . TYR 57 57 52261 1 . ASP 58 58 52261 1 . LYS 59 59 52261 1 . VAL 60 60 52261 1 . SER 61 61 52261 1 . GLY 62 62 52261 1 . ASP 63 63 52261 1 . MET 64 64 52261 1 . GLN 65 65 52261 1 . LYS 66 66 52261 1 . GLN 67 67 52261 1 . GLY 68 68 52261 1 . CYS 69 69 52261 1 . ASP 70 70 52261 1 . CYS 71 71 52261 1 . GLU 72 72 52261 1 . CYS 73 73 52261 1 . LEU 74 74 52261 1 . GLY 75 75 52261 1 . GLY 76 76 52261 1 . GLY 77 77 52261 1 . ARG 78 78 52261 1 . ILE 79 79 52261 1 . SER 80 80 52261 1 . HIS 81 81 52261 1 . GLN 82 82 52261 1 . SER 83 83 52261 1 . GLN 84 84 52261 1 . ASP 85 85 52261 1 . LYS 86 86 52261 1 . LYS 87 87 52261 1 . ILE 88 88 52261 1 . HIS 89 89 52261 1 . VAL 90 90 52261 1 . TYR 91 91 52261 1 . GLY 92 92 52261 1 . TYR 93 93 52261 1 . SER 94 94 52261 1 . MET 95 95 52261 1 . ALA 96 96 52261 1 . TYR 97 97 52261 1 . GLY 98 98 52261 1 . PRO 99 99 52261 1 . ALA 100 100 52261 1 . GLN 101 101 52261 1 . HIS 102 102 52261 1 . ALA 103 103 52261 1 . ILE 104 104 52261 1 . SER 105 105 52261 1 . THR 106 106 52261 1 . GLU 107 107 52261 1 . LYS 108 108 52261 1 . ILE 109 109 52261 1 . LYS 110 110 52261 1 . ALA 111 111 52261 1 . LYS 112 112 52261 1 . TYR 113 113 52261 1 . PRO 114 114 52261 1 . ASP 115 115 52261 1 . TYR 116 116 52261 1 . GLU 117 117 52261 1 . VAL 118 118 52261 1 . THR 119 119 52261 1 . TRP 120 120 52261 1 . ALA 121 121 52261 1 . ASN 122 122 52261 1 . ASP 123 123 52261 1 . GLY 124 124 52261 1 . TYR 125 125 52261 1 . GLY 126 126 52261 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52261 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52261 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52261 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-43.1b(+) . . . 52261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52261 _Sample.ID 1 _Sample.Name 'Apo G126 PHPT1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Apo G126 PHPT1' '[U-100% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 52261 1 2 'TRIS HCl' 'natural abundance' . . . . . . 50 . . mM . . . . 52261 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52261 1 4 DTT 'natural abundance' . . . . . . 30 . . mM . . . . 52261 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52261 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 52261 _Sample_condition_list.ID 1 _Sample_condition_list.Name simple _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 7.2 . pH 52261 1 temperature 298.15 . K 52261 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52261 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52261 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52261 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52261 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52261 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52261 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52261 _Software.ID 4 _Software.Type . _Software.Name 'in house software' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52261 4 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 52261 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52261 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52261 1 2 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52261 1 3 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52261 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 52261 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'Apo G126 PHPT1 NOEs' _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 height' _Heteronucl_NOE_list.NOE_ref_val 0 _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 3 '1H-15N heteronoe' . . . 52261 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 4 $software_4 . . 52261 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 ALA N N 15 . 1 1 2 2 ALA H H 1 0.317101 0.0128485 . . . . . . . . . . 52261 1 2 . 1 1 3 3 VAL N N 15 . 1 1 3 3 VAL H H 1 0.42299 0.00835125 . . . . . . . . . . 52261 1 3 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.42963 0.0118478 . . . . . . . . . . 52261 1 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.740166 0.0229958 . . . . . . . . . . 52261 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.680106 0.00987496 . . . . . . . . . . 52261 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.712472 0.0186099 . . . . . . . . . . 52261 1 7 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 0.779386 0.0169995 . . . . . . . . . . 52261 1 8 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.786657 0.0218345 . . . . . . . . . . 52261 1 9 . 1 1 19 19 VAL N N 15 . 1 1 19 19 VAL H H 1 0.744911 0.0173574 . . . . . . . . . . 52261 1 10 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.765964 0.0195443 . . . . . . . . . . 52261 1 11 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.862095 0.0322172 . . . . . . . . . . 52261 1 12 . 1 1 23 23 VAL N N 15 . 1 1 23 23 VAL H H 1 0.85857 0.0270226 . . . . . . . . . . 52261 1 13 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.818381 0.0229972 . . . . . . . . . . 52261 1 14 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.847194 0.0284045 . . . . . . . . . . 52261 1 15 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.8157 0.0260224 . . . . . . . . . . 52261 1 16 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.738111 0.0237513 . . . . . . . . . . 52261 1 17 . 1 1 28 28 HIS N N 15 . 1 1 28 28 HIS H H 1 0.819014 0.0246986 . . . . . . . . . . 52261 1 18 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.748392 0.0197348 . . . . . . . . . . 52261 1 19 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.607112 0.0149694 . . . . . . . . . . 52261 1 20 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.510907 0.0200703 . . . . . . . . . . 52261 1 21 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.424083 0.0078483 . . . . . . . . . . 52261 1 22 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.306954 0.00777301 . . . . . . . . . . 52261 1 23 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.354799 0.0107748 . . . . . . . . . . 52261 1 24 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.49497 0.0109414 . . . . . . . . . . 52261 1 25 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.697329 0.0139213 . . . . . . . . . . 52261 1 26 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.784469 0.0212357 . . . . . . . . . . 52261 1 27 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.754956 0.0233271 . . . . . . . . . . 52261 1 28 . 1 1 43 43 ILE N N 15 . 1 1 43 43 ILE H H 1 0.862964 0.0286681 . . . . . . . . . . 52261 1 29 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.765698 0.0295888 . . . . . . . . . . 52261 1 30 . 1 1 45 45 ARG N N 15 . 1 1 45 45 ARG H H 1 0.866927 0.0252418 . . . . . . . . . . 52261 1 31 . 1 1 47 47 TYR N N 15 . 1 1 47 47 TYR H H 1 0.823837 0.0176082 . . . . . . . . . . 52261 1 32 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.845695 0.0164815 . . . . . . . . . . 52261 1 33 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.780148 0.0360623 . . . . . . . . . . 52261 1 34 . 1 1 52 52 TYR N N 15 . 1 1 52 52 TYR H H 1 0.765361 0.0228809 . . . . . . . . . . 52261 1 35 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.821067 0.027664 . . . . . . . . . . 52261 1 36 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.813897 0.019981 . . . . . . . . . . 52261 1 37 . 1 1 56 56 ILE N N 15 . 1 1 56 56 ILE H H 1 0.851506 0.0255679 . . . . . . . . . . 52261 1 38 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.808938 0.0208683 . . . . . . . . . . 52261 1 39 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.891234 0.0233291 . . . . . . . . . . 52261 1 40 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.846684 0.0235094 . . . . . . . . . . 52261 1 41 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.762 0.0166824 . . . . . . . . . . 52261 1 42 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.811729 0.0200015 . . . . . . . . . . 52261 1 43 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.720222 0.0157646 . . . . . . . . . . 52261 1 44 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.765964 0.0195443 . . . . . . . . . . 52261 1 45 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.859932 0.0222082 . . . . . . . . . . 52261 1 46 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.75327 0.018182 . . . . . . . . . . 52261 1 47 . 1 1 67 67 GLN N N 15 . 1 1 67 67 GLN H H 1 0.740813 0.0169687 . . . . . . . . . . 52261 1 48 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.722114 0.015806 . . . . . . . . . . 52261 1 49 . 1 1 69 69 CYS N N 15 . 1 1 69 69 CYS H H 1 0.74597 0.0201621 . . . . . . . . . . 52261 1 50 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.663605 0.0168423 . . . . . . . . . . 52261 1 51 . 1 1 71 71 CYS N N 15 . 1 1 71 71 CYS H H 1 0.77692 0.0215643 . . . . . . . . . . 52261 1 52 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.75112 0.0211489 . . . . . . . . . . 52261 1 53 . 1 1 73 73 CYS N N 15 . 1 1 73 73 CYS H H 1 0.847837 0.0474533 . . . . . . . . . . 52261 1 54 . 1 1 74 74 LEU N N 15 . 1 1 74 74 LEU H H 1 0.841678 0.0280872 . . . . . . . . . . 52261 1 55 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.689074 0.0142922 . . . . . . . . . . 52261 1 56 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.846774 0.0260233 . . . . . . . . . . 52261 1 57 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.898987 0.0345956 . . . . . . . . . . 52261 1 58 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.772333 0.021995 . . . . . . . . . . 52261 1 59 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.885396 0.0310023 . . . . . . . . . . 52261 1 60 . 1 1 91 91 TYR N N 15 . 1 1 91 91 TYR H H 1 0.894638 0.0271665 . . . . . . . . . . 52261 1 61 . 1 1 93 93 TYR N N 15 . 1 1 93 93 TYR H H 1 0.821976 0.0225238 . . . . . . . . . . 52261 1 62 . 1 1 94 94 SER N N 15 . 1 1 94 94 SER H H 1 0.793889 0.0589099 . . . . . . . . . . 52261 1 63 . 1 1 97 97 TYR N N 15 . 1 1 97 97 TYR H H 1 0.803699 0.0265402 . . . . . . . . . . 52261 1 64 . 1 1 98 98 GLY N N 15 . 1 1 98 98 GLY H H 1 0.807709 0.023396 . . . . . . . . . . 52261 1 65 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 0.877363 0.030721 . . . . . . . . . . 52261 1 66 . 1 1 101 101 GLN N N 15 . 1 1 101 101 GLN H H 1 0.689574 0.0182031 . . . . . . . . . . 52261 1 67 . 1 1 102 102 HIS N N 15 . 1 1 102 102 HIS H H 1 0.791488 0.0204181 . . . . . . . . . . 52261 1 68 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.514713 0.0191556 . . . . . . . . . . 52261 1 69 . 1 1 104 104 ILE N N 15 . 1 1 104 104 ILE H H 1 0.802556 0.0185958 . . . . . . . . . . 52261 1 70 . 1 1 105 105 SER N N 15 . 1 1 105 105 SER H H 1 0.83502 0.0181426 . . . . . . . . . . 52261 1 71 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.865859 0.0316075 . . . . . . . . . . 52261 1 72 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.780003 0.0153423 . . . . . . . . . . 52261 1 73 . 1 1 108 108 LYS N N 15 . 1 1 108 108 LYS H H 1 0.834173 0.0204056 . . . . . . . . . . 52261 1 74 . 1 1 109 109 ILE N N 15 . 1 1 109 109 ILE H H 1 0.760601 0.029587 . . . . . . . . . . 52261 1 75 . 1 1 111 111 ALA N N 15 . 1 1 111 111 ALA H H 1 0.798806 0.0230351 . . . . . . . . . . 52261 1 76 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.796543 0.0249331 . . . . . . . . . . 52261 1 77 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.824961 0.0419262 . . . . . . . . . . 52261 1 78 . 1 1 119 119 THR N N 15 . 1 1 119 119 THR H H 1 0.934028 0.0534245 . . . . . . . . . . 52261 1 79 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.988972 0.0529119 . . . . . . . . . . 52261 1 80 . 1 1 121 121 ALA N N 15 . 1 1 121 121 ALA H H 1 0.796502 0.0278326 . . . . . . . . . . 52261 1 81 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.656658 0.0456012 . . . . . . . . . . 52261 1 82 . 1 1 123 123 ASP N N 15 . 1 1 123 123 ASP H H 1 0.38281 0.0111517 . . . . . . . . . . 52261 1 83 . 1 1 124 124 GLY N N 15 . 1 1 124 124 GLY H H 1 0.53048 0.0230916 . . . . . . . . . . 52261 1 84 . 1 1 125 125 TYR N N 15 . 1 1 125 125 TYR H H 1 0.541997 0.0112867 . . . . . . . . . . 52261 1 85 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 -0.203538 0.00510135 . . . . . . . . . . 52261 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52261 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'Apo G126 PHPT1 R1 rates' _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 Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 'T1/R1 relaxation' . . . 52261 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 4 $software_4 . . 52261 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 1.55497 0.0483585 . . . . . 52261 1 2 . 1 1 3 3 VAL N N 15 1.33976 0.027822 . . . . . 52261 1 3 . 1 1 4 4 ALA N N 15 1.50263 0.0201856 . . . . . 52261 1 4 . 1 1 6 6 LEU N N 15 1.10363 0.0331296 . . . . . 52261 1 5 . 1 1 7 7 ALA N N 15 1.13276 0.0296406 . . . . . 52261 1 6 . 1 1 8 8 LEU N N 15 1.01823 0.00385684 . . . . . 52261 1 7 . 1 1 9 9 ILE N N 15 1.07747 0.0118416 . . . . . 52261 1 8 . 1 1 13 13 ASP N N 15 1.11458 0.0195039 . . . . . 52261 1 9 . 1 1 19 19 VAL N N 15 1.06101 0.0119328 . . . . . 52261 1 10 . 1 1 21 21 LYS N N 15 1.10558 0.0172346 . . . . . 52261 1 11 . 1 1 22 22 TYR N N 15 1.08601 0.0146248 . . . . . 52261 1 12 . 1 1 23 23 VAL N N 15 1.17041 0.0195891 . . . . . 52261 1 13 . 1 1 24 24 LEU N N 15 1.16509 0.0218548 . . . . . 52261 1 14 . 1 1 25 25 ILE N N 15 1.08331 0.0103273 . . . . . 52261 1 15 . 1 1 26 26 ARG N N 15 1.13675 0.00957523 . . . . . 52261 1 16 . 1 1 27 27 VAL N N 15 1.08061 0.0455413 . . . . . 52261 1 17 . 1 1 28 28 HIS N N 15 1.10779 0.0293299 . . . . . 52261 1 18 . 1 1 29 29 SER N N 15 1.16144 0.0186154 . . . . . 52261 1 19 . 1 1 30 30 ALA N N 15 1.25676 0.0150362 . . . . . 52261 1 20 . 1 1 32 32 ARG N N 15 1.31234 0.0289334 . . . . . 52261 1 21 . 1 1 35 35 ALA N N 15 1.37287 0.0327951 . . . . . 52261 1 22 . 1 1 37 37 ALA N N 15 1.31423 0.0404167 . . . . . 52261 1 23 . 1 1 38 38 ALA N N 15 1.26791 0.0315088 . . . . . 52261 1 24 . 1 1 39 39 GLU N N 15 1.24301 0.013952 . . . . . 52261 1 25 . 1 1 40 40 SER N N 15 1.14325 0.0257483 . . . . . 52261 1 26 . 1 1 41 41 LYS N N 15 1.1302 0.0155837 . . . . . 52261 1 27 . 1 1 42 42 GLU N N 15 1.04592 0.00846709 . . . . . 52261 1 28 . 1 1 43 43 ILE N N 15 1.0686 0.0231809 . . . . . 52261 1 29 . 1 1 44 44 VAL N N 15 1.08284 0.0315412 . . . . . 52261 1 30 . 1 1 45 45 ARG N N 15 1.16564 0.0216035 . . . . . 52261 1 31 . 1 1 47 47 TYR N N 15 1.12448 0.0220015 . . . . . 52261 1 32 . 1 1 50 50 ALA N N 15 1.17675 0.0146782 . . . . . 52261 1 33 . 1 1 51 51 GLU N N 15 0.944287 0.0169419 . . . . . 52261 1 34 . 1 1 52 52 TYR N N 15 1.0015 0.0361082 . . . . . 52261 1 35 . 1 1 54 54 ALA N N 15 1.14416 0.0179348 . . . . . 52261 1 36 . 1 1 55 55 ASP N N 15 0.970874 0.0103686 . . . . . 52261 1 37 . 1 1 58 58 ASP N N 15 1 0.00601 . . . . . 52261 1 38 . 1 1 59 59 LYS N N 15 0.938967 0.0209835 . . . . . 52261 1 39 . 1 1 60 60 VAL N N 15 0.982318 0.00930211 . . . . . 52261 1 40 . 1 1 61 61 SER N N 15 1.03939 0.0279807 . . . . . 52261 1 41 . 1 1 62 62 GLY N N 15 0.976562 0.00425339 . . . . . 52261 1 42 . 1 1 63 63 ASP N N 15 0.938967 0.00657718 . . . . . 52261 1 43 . 1 1 64 64 MET N N 15 0.986193 0.0304417 . . . . . 52261 1 44 . 1 1 65 65 GLN N N 15 1.00472 0.0111041 . . . . . 52261 1 45 . 1 1 66 66 LYS N N 15 1.03093 0.0142417 . . . . . 52261 1 46 . 1 1 67 67 GLN N N 15 0.97371 0.00913979 . . . . . 52261 1 47 . 1 1 68 68 GLY N N 15 1.16387 0.0131667 . . . . . 52261 1 48 . 1 1 69 69 CYS N N 15 1.05731 0.0198985 . . . . . 52261 1 49 . 1 1 70 70 ASP N N 15 1.06474 0.00942074 . . . . . 52261 1 50 . 1 1 71 71 CYS N N 15 0.995025 0.00983144 . . . . . 52261 1 51 . 1 1 72 72 GLU N N 15 1.06815 0.0476913 . . . . . 52261 1 52 . 1 1 73 73 CYS N N 15 1.1422 0.0681017 . . . . . 52261 1 53 . 1 1 74 74 LEU N N 15 1.09987 0.0162101 . . . . . 52261 1 54 . 1 1 75 75 GLY N N 15 0.878735 0.00541294 . . . . . 52261 1 55 . 1 1 77 77 GLY N N 15 1.04037 0.0365838 . . . . . 52261 1 56 . 1 1 78 78 ARG N N 15 1.17619 0.019368 . . . . . 52261 1 57 . 1 1 84 84 GLN N N 15 1.27567 0.0724167 . . . . . 52261 1 58 . 1 1 90 90 VAL N N 15 1.11882 0.0284148 . . . . . 52261 1 59 . 1 1 91 91 TYR N N 15 1.15009 0.0275121 . . . . . 52261 1 60 . 1 1 93 93 TYR N N 15 1.15234 0.0297446 . . . . . 52261 1 61 . 1 1 94 94 SER N N 15 1.03466 0.0226951 . . . . . 52261 1 62 . 1 1 97 97 TYR N N 15 1.02124 0.0175213 . . . . . 52261 1 63 . 1 1 98 98 GLY N N 15 1.1302 0.0526268 . . . . . 52261 1 64 . 1 1 100 100 ALA N N 15 1.01989 0.0190351 . . . . . 52261 1 65 . 1 1 101 101 GLN N N 15 0.868056 0.0212493 . . . . . 52261 1 66 . 1 1 102 102 HIS N N 15 1.06168 0.0154423 . . . . . 52261 1 67 . 1 1 103 103 ALA N N 15 1.15848 0.013555 . . . . . 52261 1 68 . 1 1 104 104 ILE N N 15 1.10035 0.015619 . . . . . 52261 1 69 . 1 1 105 105 SER N N 15 1.1274 0.0183027 . . . . . 52261 1 70 . 1 1 106 106 THR N N 15 1.08849 0.049644 . . . . . 52261 1 71 . 1 1 107 107 GLU N N 15 1.15996 0.0107775 . . . . . 52261 1 72 . 1 1 109 109 ILE N N 15 1.14038 0.0132648 . . . . . 52261 1 73 . 1 1 111 111 ALA N N 15 1.10632 0.0197054 . . . . . 52261 1 74 . 1 1 112 112 LYS N N 15 1.06326 0.0221584 . . . . . 52261 1 75 . 1 1 118 118 VAL N N 15 1.18092 0.022313 . . . . . 52261 1 76 . 1 1 119 119 THR N N 15 1.22041 0.0332134 . . . . . 52261 1 77 . 1 1 120 120 TRP N N 15 1.15902 0.0769723 . . . . . 52261 1 78 . 1 1 121 121 ALA N N 15 1.14038 0.0188568 . . . . . 52261 1 79 . 1 1 122 122 ASN N N 15 1.12183 0.0466905 . . . . . 52261 1 80 . 1 1 123 123 ASP N N 15 1.59058 0.0222383 . . . . . 52261 1 81 . 1 1 124 124 GLY N N 15 1.4518 0.129203 . . . . . 52261 1 82 . 1 1 125 125 TYR N N 15 1.21699 0.0189576 . . . . . 52261 1 83 . 1 1 126 126 GLY N N 15 1.18175 0.0194119 . . . . . 52261 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 52261 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'Apo G126 PHPT1 R2 rates' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 52261 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 4 $software_4 . . 52261 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 5.33049 0.117919 . . . . . . . 52261 1 2 . 1 1 3 3 VAL N N 15 6.60502 0.223803 . . . . . . . 52261 1 3 . 1 1 4 4 ALA N N 15 8.05153 0.220412 . . . . . . . 52261 1 4 . 1 1 6 6 LEU N N 15 13.5796 0.29136 . . . . . . . 52261 1 5 . 1 1 7 7 ALA N N 15 12.0294 0.347293 . . . . . . . 52261 1 6 . 1 1 8 8 LEU N N 15 12.8551 0.287542 . . . . . . . 52261 1 7 . 1 1 9 9 ILE N N 15 12.4378 0.491943 . . . . . . . 52261 1 8 . 1 1 12 12 VAL N N 15 13.1216 0.352964 . . . . . . . 52261 1 9 . 1 1 13 13 ASP N N 15 12.8337 0.531991 . . . . . . . 52261 1 10 . 1 1 14 14 ILE N N 15 13.1216 0.339189 . . . . . . . 52261 1 11 . 1 1 19 19 VAL N N 15 12.3274 0.405747 . . . . . . . 52261 1 12 . 1 1 21 21 LYS N N 15 13.3815 0.216668 . . . . . . . 52261 1 13 . 1 1 22 22 TYR N N 15 14.817 0.30297 . . . . . . . 52261 1 14 . 1 1 23 23 VAL N N 15 13.7533 0.264813 . . . . . . . 52261 1 15 . 1 1 24 24 LEU N N 15 13.2608 0.395662 . . . . . . . 52261 1 16 . 1 1 25 25 ILE N N 15 13.1562 0.268281 . . . . . . . 52261 1 17 . 1 1 26 26 ARG N N 15 13.0736 0.276889 . . . . . . . 52261 1 18 . 1 1 27 27 VAL N N 15 13.2485 0.363334 . . . . . . . 52261 1 19 . 1 1 28 28 HIS N N 15 13.3887 0.188219 . . . . . . . 52261 1 20 . 1 1 29 29 SER N N 15 12.3824 0.360309 . . . . . . . 52261 1 21 . 1 1 30 30 ALA N N 15 11.1111 0.474074 . . . . . . . 52261 1 22 . 1 1 32 32 ARG N N 15 10.3466 0.199117 . . . . . . . 52261 1 23 . 1 1 35 35 ALA N N 15 6.95894 0.252304 . . . . . . . 52261 1 24 . 1 1 37 37 ALA N N 15 6.25782 0.0485588 . . . . . . . 52261 1 25 . 1 1 38 38 ALA N N 15 6.25782 0.201284 . . . . . . . 52261 1 26 . 1 1 39 39 GLU N N 15 8.2713 0.240819 . . . . . . . 52261 1 27 . 1 1 40 40 SER N N 15 11.1297 0.281183 . . . . . . . 52261 1 28 . 1 1 41 41 LYS N N 15 13.0327 0.176646 . . . . . . . 52261 1 29 . 1 1 42 42 GLU N N 15 12.4906 0.571018 . . . . . . . 52261 1 30 . 1 1 43 43 ILE N N 15 12.3885 0.313089 . . . . . . . 52261 1 31 . 1 1 44 44 VAL N N 15 13.8831 0.397046 . . . . . . . 52261 1 32 . 1 1 45 45 ARG N N 15 12.6279 0.42736 . . . . . . . 52261 1 33 . 1 1 47 47 TYR N N 15 12.5313 0.389445 . . . . . . . 52261 1 34 . 1 1 50 50 ALA N N 15 13.0873 0.647428 . . . . . . . 52261 1 35 . 1 1 51 51 GLU N N 15 13.7024 0.34547 . . . . . . . 52261 1 36 . 1 1 52 52 TYR N N 15 12.6936 0.27875 . . . . . . . 52261 1 37 . 1 1 54 54 ALA N N 15 15.2346 0.27387 . . . . . . . 52261 1 38 . 1 1 55 55 ASP N N 15 14.9993 0.60294 . . . . . . . 52261 1 39 . 1 1 56 56 ILE N N 15 13.5814 0.322796 . . . . . . . 52261 1 40 . 1 1 58 58 ASP N N 15 15.8203 0.407959 . . . . . . . 52261 1 41 . 1 1 59 59 LYS N N 15 15.8907 0.464625 . . . . . . . 52261 1 42 . 1 1 60 60 VAL N N 15 15.6838 0.403411 . . . . . . . 52261 1 43 . 1 1 61 61 SER N N 15 14.8368 0.711021 . . . . . . . 52261 1 44 . 1 1 62 62 GLY N N 15 15.4943 0.216065 . . . . . . . 52261 1 45 . 1 1 63 63 ASP N N 15 15.2509 0.272129 . . . . . . . 52261 1 46 . 1 1 64 64 MET N N 15 15.0534 0.58691 . . . . . . . 52261 1 47 . 1 1 65 65 GLN N N 15 15.4655 0.173407 . . . . . . . 52261 1 48 . 1 1 66 66 LYS N N 15 15.2718 0.186117 . . . . . . . 52261 1 49 . 1 1 67 67 GLN N N 15 13.2979 0.217505 . . . . . . . 52261 1 50 . 1 1 68 68 GLY N N 15 12.5945 0.37593 . . . . . . . 52261 1 51 . 1 1 69 69 CYS N N 15 12.5581 0.184515 . . . . . . . 52261 1 52 . 1 1 70 70 ASP N N 15 11.0072 0.334395 . . . . . . . 52261 1 53 . 1 1 71 71 CYS N N 15 11.7426 0.515704 . . . . . . . 52261 1 54 . 1 1 72 72 GLU N N 15 12.3548 0.431976 . . . . . . . 52261 1 55 . 1 1 73 73 CYS N N 15 13.5667 0.228228 . . . . . . . 52261 1 56 . 1 1 74 74 LEU N N 15 12.4906 0.48677 . . . . . . . 52261 1 57 . 1 1 75 75 GLY N N 15 11.8977 0.377951 . . . . . . . 52261 1 58 . 1 1 77 77 GLY N N 15 14.4259 0.272618 . . . . . . . 52261 1 59 . 1 1 78 78 ARG N N 15 14.2268 0.313722 . . . . . . . 52261 1 60 . 1 1 84 84 GLN N N 15 13.3032 0.247764 . . . . . . . 52261 1 61 . 1 1 90 90 VAL N N 15 13.0446 0.549623 . . . . . . . 52261 1 62 . 1 1 91 91 TYR N N 15 14.5815 0.66125 . . . . . . . 52261 1 63 . 1 1 93 93 TYR N N 15 16.6834 0.609552 . . . . . . . 52261 1 64 . 1 1 94 94 SER N N 15 13.8447 0.962207 . . . . . . . 52261 1 65 . 1 1 97 97 TYR N N 15 15.3257 0.497937 . . . . . . . 52261 1 66 . 1 1 98 98 GLY N N 15 12.9584 0.362708 . . . . . . . 52261 1 67 . 1 1 100 100 ALA N N 15 13.4807 0.288951 . . . . . . . 52261 1 68 . 1 1 101 101 GLN N N 15 13.7118 0.344064 . . . . . . . 52261 1 69 . 1 1 102 102 HIS N N 15 14.4404 0.596385 . . . . . . . 52261 1 70 . 1 1 103 103 ALA N N 15 10.3767 0.249807 . . . . . . . 52261 1 71 . 1 1 104 104 ILE N N 15 13.9082 0.268879 . . . . . . . 52261 1 72 . 1 1 105 105 SER N N 15 12.9567 0.579175 . . . . . . . 52261 1 73 . 1 1 106 106 THR N N 15 15.0625 0.893904 . . . . . . . 52261 1 74 . 1 1 107 107 GLU N N 15 13.5465 0.447756 . . . . . . . 52261 1 75 . 1 1 108 108 LYS N N 15 13.5814 0.394734 . . . . . . . 52261 1 76 . 1 1 109 109 ILE N N 15 13.8179 0.330316 . . . . . . . 52261 1 77 . 1 1 111 111 ALA N N 15 13.1492 0.418424 . . . . . . . 52261 1 78 . 1 1 112 112 LYS N N 15 12.7975 0.325916 . . . . . . . 52261 1 79 . 1 1 118 118 VAL N N 15 13.5263 0.154053 . . . . . . . 52261 1 80 . 1 1 119 119 THR N N 15 15.3894 0.793388 . . . . . . . 52261 1 81 . 1 1 120 120 TRP N N 15 15.9363 0.688243 . . . . . . . 52261 1 82 . 1 1 121 121 ALA N N 15 15.1814 0.47017 . . . . . . . 52261 1 83 . 1 1 122 122 ASN N N 15 12.41 0.489748 . . . . . . . 52261 1 84 . 1 1 123 123 ASP N N 15 5.6243 0.244837 . . . . . . . 52261 1 85 . 1 1 124 124 GLY N N 15 6.82594 0.273969 . . . . . . . 52261 1 86 . 1 1 125 125 TYR N N 15 8.86525 0.146968 . . . . . . . 52261 1 87 . 1 1 126 126 GLY N N 15 3.39674 0.158068 . . . . . . . 52261 1 stop_ save_