data_26683 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26683 _Entry.Title ; Chemical shifts of ApoCaM34 (CaM D93A, D129A) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-07 _Entry.Accession_date 2015-10-07 _Entry.Last_release_date 2016-02-12 _Entry.Original_release_date 2016-02-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Michael Piazza . . . . 26683 2 Thorsten Dieckmann . . . . 26683 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26683 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Waterloo' . 26683 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26683 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 138 26683 '1H chemical shifts' 138 26683 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-08 2015-10-07 update BMRB 'update entry citation' 26683 1 . . 2016-02-12 2015-10-07 original author 'original release' 26683 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26681 'CaM1234 (apo form)' 26683 BMRB 26682 'CaM12 (apo form)' 26683 BMRB 26685 'CaM12 (complex with Ca)' 26683 BMRB 26686 'CaM34 (complex with Ca)' 26683 BMRB 26687 'CaM34 (complex with iNOS' 26683 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26683 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26743203 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of calmodulin constructs with EF hand mutations ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 193 _Citation.Page_last 198 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Piazza . . . . 26683 1 2 Guy Guillemette . . . . 26683 1 3 Thorsten Dieckmann . . . . 26683 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26683 _Assembly.ID 1 _Assembly.Name CaM34 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CaM34 1 $CaM34 A . yes native no no . . . 26683 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM34 _Entity.Sf_category entity _Entity.Sf_framecode CaM34 _Entity.Entry_ID 26683 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaM34 _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFAKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREAAIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 26683 1 2 . ASP . 26683 1 3 . GLN . 26683 1 4 . LEU . 26683 1 5 . THR . 26683 1 6 . GLU . 26683 1 7 . GLU . 26683 1 8 . GLN . 26683 1 9 . ILE . 26683 1 10 . ALA . 26683 1 11 . GLU . 26683 1 12 . PHE . 26683 1 13 . LYS . 26683 1 14 . GLU . 26683 1 15 . ALA . 26683 1 16 . PHE . 26683 1 17 . SER . 26683 1 18 . LEU . 26683 1 19 . PHE . 26683 1 20 . ASP . 26683 1 21 . LYS . 26683 1 22 . ASP . 26683 1 23 . GLY . 26683 1 24 . ASP . 26683 1 25 . GLY . 26683 1 26 . THR . 26683 1 27 . ILE . 26683 1 28 . THR . 26683 1 29 . THR . 26683 1 30 . LYS . 26683 1 31 . GLU . 26683 1 32 . LEU . 26683 1 33 . GLY . 26683 1 34 . THR . 26683 1 35 . VAL . 26683 1 36 . MET . 26683 1 37 . ARG . 26683 1 38 . SER . 26683 1 39 . LEU . 26683 1 40 . GLY . 26683 1 41 . GLN . 26683 1 42 . ASN . 26683 1 43 . PRO . 26683 1 44 . THR . 26683 1 45 . GLU . 26683 1 46 . ALA . 26683 1 47 . GLU . 26683 1 48 . LEU . 26683 1 49 . GLN . 26683 1 50 . ASP . 26683 1 51 . MET . 26683 1 52 . ILE . 26683 1 53 . ASN . 26683 1 54 . GLU . 26683 1 55 . VAL . 26683 1 56 . ASP . 26683 1 57 . ALA . 26683 1 58 . ASP . 26683 1 59 . GLY . 26683 1 60 . ASN . 26683 1 61 . GLY . 26683 1 62 . THR . 26683 1 63 . ILE . 26683 1 64 . ASP . 26683 1 65 . PHE . 26683 1 66 . PRO . 26683 1 67 . GLU . 26683 1 68 . PHE . 26683 1 69 . LEU . 26683 1 70 . THR . 26683 1 71 . MET . 26683 1 72 . MET . 26683 1 73 . ALA . 26683 1 74 . ARG . 26683 1 75 . LYS . 26683 1 76 . MET . 26683 1 77 . LYS . 26683 1 78 . ASP . 26683 1 79 . THR . 26683 1 80 . ASP . 26683 1 81 . SER . 26683 1 82 . GLU . 26683 1 83 . GLU . 26683 1 84 . GLU . 26683 1 85 . ILE . 26683 1 86 . ARG . 26683 1 87 . GLU . 26683 1 88 . ALA . 26683 1 89 . PHE . 26683 1 90 . ARG . 26683 1 91 . VAL . 26683 1 92 . PHE . 26683 1 93 . ALA . 26683 1 94 . LYS . 26683 1 95 . ASP . 26683 1 96 . GLY . 26683 1 97 . ASN . 26683 1 98 . GLY . 26683 1 99 . TYR . 26683 1 100 . ILE . 26683 1 101 . SER . 26683 1 102 . ALA . 26683 1 103 . ALA . 26683 1 104 . GLU . 26683 1 105 . LEU . 26683 1 106 . ARG . 26683 1 107 . HIS . 26683 1 108 . VAL . 26683 1 109 . MET . 26683 1 110 . THR . 26683 1 111 . ASN . 26683 1 112 . LEU . 26683 1 113 . GLY . 26683 1 114 . GLU . 26683 1 115 . LYS . 26683 1 116 . LEU . 26683 1 117 . THR . 26683 1 118 . ASP . 26683 1 119 . GLU . 26683 1 120 . GLU . 26683 1 121 . VAL . 26683 1 122 . ASP . 26683 1 123 . GLU . 26683 1 124 . MET . 26683 1 125 . ILE . 26683 1 126 . ARG . 26683 1 127 . GLU . 26683 1 128 . ALA . 26683 1 129 . ALA . 26683 1 130 . ILE . 26683 1 131 . ASP . 26683 1 132 . GLY . 26683 1 133 . ASP . 26683 1 134 . GLY . 26683 1 135 . GLN . 26683 1 136 . VAL . 26683 1 137 . ASN . 26683 1 138 . TYR . 26683 1 139 . GLU . 26683 1 140 . GLU . 26683 1 141 . PHE . 26683 1 142 . VAL . 26683 1 143 . GLN . 26683 1 144 . MET . 26683 1 145 . MET . 26683 1 146 . THR . 26683 1 147 . ALA . 26683 1 148 . LYS . 26683 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 26683 1 . ASP 2 2 26683 1 . GLN 3 3 26683 1 . LEU 4 4 26683 1 . THR 5 5 26683 1 . GLU 6 6 26683 1 . GLU 7 7 26683 1 . GLN 8 8 26683 1 . ILE 9 9 26683 1 . ALA 10 10 26683 1 . GLU 11 11 26683 1 . PHE 12 12 26683 1 . LYS 13 13 26683 1 . GLU 14 14 26683 1 . ALA 15 15 26683 1 . PHE 16 16 26683 1 . SER 17 17 26683 1 . LEU 18 18 26683 1 . PHE 19 19 26683 1 . ASP 20 20 26683 1 . LYS 21 21 26683 1 . ASP 22 22 26683 1 . GLY 23 23 26683 1 . ASP 24 24 26683 1 . GLY 25 25 26683 1 . THR 26 26 26683 1 . ILE 27 27 26683 1 . THR 28 28 26683 1 . THR 29 29 26683 1 . LYS 30 30 26683 1 . GLU 31 31 26683 1 . LEU 32 32 26683 1 . GLY 33 33 26683 1 . THR 34 34 26683 1 . VAL 35 35 26683 1 . MET 36 36 26683 1 . ARG 37 37 26683 1 . SER 38 38 26683 1 . LEU 39 39 26683 1 . GLY 40 40 26683 1 . GLN 41 41 26683 1 . ASN 42 42 26683 1 . PRO 43 43 26683 1 . THR 44 44 26683 1 . GLU 45 45 26683 1 . ALA 46 46 26683 1 . GLU 47 47 26683 1 . LEU 48 48 26683 1 . GLN 49 49 26683 1 . ASP 50 50 26683 1 . MET 51 51 26683 1 . ILE 52 52 26683 1 . ASN 53 53 26683 1 . GLU 54 54 26683 1 . VAL 55 55 26683 1 . ASP 56 56 26683 1 . ALA 57 57 26683 1 . ASP 58 58 26683 1 . GLY 59 59 26683 1 . ASN 60 60 26683 1 . GLY 61 61 26683 1 . THR 62 62 26683 1 . ILE 63 63 26683 1 . ASP 64 64 26683 1 . PHE 65 65 26683 1 . PRO 66 66 26683 1 . GLU 67 67 26683 1 . PHE 68 68 26683 1 . LEU 69 69 26683 1 . THR 70 70 26683 1 . MET 71 71 26683 1 . MET 72 72 26683 1 . ALA 73 73 26683 1 . ARG 74 74 26683 1 . LYS 75 75 26683 1 . MET 76 76 26683 1 . LYS 77 77 26683 1 . ASP 78 78 26683 1 . THR 79 79 26683 1 . ASP 80 80 26683 1 . SER 81 81 26683 1 . GLU 82 82 26683 1 . GLU 83 83 26683 1 . GLU 84 84 26683 1 . ILE 85 85 26683 1 . ARG 86 86 26683 1 . GLU 87 87 26683 1 . ALA 88 88 26683 1 . PHE 89 89 26683 1 . ARG 90 90 26683 1 . VAL 91 91 26683 1 . PHE 92 92 26683 1 . ALA 93 93 26683 1 . LYS 94 94 26683 1 . ASP 95 95 26683 1 . GLY 96 96 26683 1 . ASN 97 97 26683 1 . GLY 98 98 26683 1 . TYR 99 99 26683 1 . ILE 100 100 26683 1 . SER 101 101 26683 1 . ALA 102 102 26683 1 . ALA 103 103 26683 1 . GLU 104 104 26683 1 . LEU 105 105 26683 1 . ARG 106 106 26683 1 . HIS 107 107 26683 1 . VAL 108 108 26683 1 . MET 109 109 26683 1 . THR 110 110 26683 1 . ASN 111 111 26683 1 . LEU 112 112 26683 1 . GLY 113 113 26683 1 . GLU 114 114 26683 1 . LYS 115 115 26683 1 . LEU 116 116 26683 1 . THR 117 117 26683 1 . ASP 118 118 26683 1 . GLU 119 119 26683 1 . GLU 120 120 26683 1 . VAL 121 121 26683 1 . ASP 122 122 26683 1 . GLU 123 123 26683 1 . MET 124 124 26683 1 . ILE 125 125 26683 1 . ARG 126 126 26683 1 . GLU 127 127 26683 1 . ALA 128 128 26683 1 . ALA 129 129 26683 1 . ILE 130 130 26683 1 . ASP 131 131 26683 1 . GLY 132 132 26683 1 . ASP 133 133 26683 1 . GLY 134 134 26683 1 . GLN 135 135 26683 1 . VAL 136 136 26683 1 . ASN 137 137 26683 1 . TYR 138 138 26683 1 . GLU 139 139 26683 1 . GLU 140 140 26683 1 . PHE 141 141 26683 1 . VAL 142 142 26683 1 . GLN 143 143 26683 1 . MET 144 144 26683 1 . MET 145 145 26683 1 . THR 146 146 26683 1 . ALA 147 147 26683 1 . LYS 148 148 26683 1 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 26683 _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 $CaM34 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26683 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 26683 _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 $CaM34 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26683 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26683 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM34 '[U-99% 13C; U-99% 15N]' . . 1 $CaM34 . . 1 . . mM . . . . 26683 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26683 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26683 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mM . . . . 26683 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 26683 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 . M 26683 1 pH 6.5 . pH 26683 1 pressure 1 . atm 26683 1 temperature 298 . K 26683 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26683 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26683 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26683 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 26683 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26683 _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 DRX . 600 . . . 26683 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 26683 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26683 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26683 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26683 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26683 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26683 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26683 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 26683 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN H H 1 8.109 0.020 . 1 . . . . 3 GLN H . 26683 1 2 . 1 1 3 3 GLN N N 15 118.270 0.300 . 1 . . . . 3 GLN N . 26683 1 3 . 1 1 4 4 LEU H H 1 8.221 0.020 . 1 . . . . 4 LEU H . 26683 1 4 . 1 1 4 4 LEU N N 15 121.532 0.300 . 1 . . . . 4 LEU N . 26683 1 5 . 1 1 5 5 THR H H 1 8.691 0.020 . 1 . . . . 5 THR H . 26683 1 6 . 1 1 5 5 THR N N 15 112.733 0.300 . 1 . . . . 5 THR N . 26683 1 7 . 1 1 6 6 GLU H H 1 8.941 0.020 . 1 . . . . 6 GLU H . 26683 1 8 . 1 1 6 6 GLU N N 15 119.971 0.300 . 1 . . . . 6 GLU N . 26683 1 9 . 1 1 7 7 GLU H H 1 8.641 0.020 . 1 . . . . 7 GLU H . 26683 1 10 . 1 1 7 7 GLU N N 15 119.033 0.300 . 1 . . . . 7 GLU N . 26683 1 11 . 1 1 8 8 GLN H H 1 7.648 0.020 . 1 . . . . 8 GLN H . 26683 1 12 . 1 1 8 8 GLN N N 15 120.185 0.300 . 1 . . . . 8 GLN N . 26683 1 13 . 1 1 9 9 ILE H H 1 8.147 0.020 . 1 . . . . 9 ILE H . 26683 1 14 . 1 1 9 9 ILE N N 15 118.192 0.300 . 1 . . . . 9 ILE N . 26683 1 15 . 1 1 10 10 ALA H H 1 7.838 0.020 . 1 . . . . 10 ALA H . 26683 1 16 . 1 1 10 10 ALA N N 15 120.153 0.300 . 1 . . . . 10 ALA N . 26683 1 17 . 1 1 11 11 GLU H H 1 7.720 0.020 . 1 . . . . 11 GLU H . 26683 1 18 . 1 1 11 11 GLU N N 15 119.933 0.300 . 1 . . . . 11 GLU N . 26683 1 19 . 1 1 12 12 PHE H H 1 8.737 0.020 . 1 . . . . 12 PHE H . 26683 1 20 . 1 1 12 12 PHE N N 15 120.133 0.300 . 1 . . . . 12 PHE N . 26683 1 21 . 1 1 13 13 LYS H H 1 9.137 0.020 . 1 . . . . 13 LYS H . 26683 1 22 . 1 1 13 13 LYS N N 15 121.202 0.300 . 1 . . . . 13 LYS N . 26683 1 23 . 1 1 14 14 GLU H H 1 7.980 0.020 . 1 . . . . 14 GLU H . 26683 1 24 . 1 1 14 14 GLU N N 15 120.226 0.300 . 1 . . . . 14 GLU N . 26683 1 25 . 1 1 15 15 ALA H H 1 7.574 0.020 . 1 . . . . 15 ALA H . 26683 1 26 . 1 1 15 15 ALA N N 15 120.572 0.300 . 1 . . . . 15 ALA N . 26683 1 27 . 1 1 16 16 PHE H H 1 8.441 0.020 . 1 . . . . 16 PHE H . 26683 1 28 . 1 1 16 16 PHE N N 15 117.574 0.300 . 1 . . . . 16 PHE N . 26683 1 29 . 1 1 17 17 SER H H 1 8.339 0.020 . 1 . . . . 17 SER H . 26683 1 30 . 1 1 17 17 SER N N 15 110.792 0.300 . 1 . . . . 17 SER N . 26683 1 31 . 1 1 18 18 LEU H H 1 7.278 0.020 . 1 . . . . 18 LEU H . 26683 1 32 . 1 1 18 18 LEU N N 15 120.947 0.300 . 1 . . . . 18 LEU N . 26683 1 33 . 1 1 19 19 PHE H H 1 7.308 0.020 . 1 . . . . 19 PHE H . 26683 1 34 . 1 1 19 19 PHE N N 15 114.477 0.300 . 1 . . . . 19 PHE N . 26683 1 35 . 1 1 20 20 ASP H H 1 7.228 0.020 . 1 . . . . 20 ASP H . 26683 1 36 . 1 1 20 20 ASP N N 15 122.233 0.300 . 1 . . . . 20 ASP N . 26683 1 37 . 1 1 21 21 LYS H H 1 8.001 0.020 . 1 . . . . 21 LYS H . 26683 1 38 . 1 1 21 21 LYS N N 15 123.433 0.300 . 1 . . . . 21 LYS N . 26683 1 39 . 1 1 22 22 ASP H H 1 8.653 0.020 . 1 . . . . 22 ASP H . 26683 1 40 . 1 1 22 22 ASP N N 15 116.965 0.300 . 1 . . . . 22 ASP N . 26683 1 41 . 1 1 23 23 GLY H H 1 7.939 0.020 . 1 . . . . 23 GLY H . 26683 1 42 . 1 1 23 23 GLY N N 15 110.063 0.300 . 1 . . . . 23 GLY N . 26683 1 43 . 1 1 24 24 ASP H H 1 8.696 0.020 . 1 . . . . 24 ASP H . 26683 1 44 . 1 1 24 24 ASP N N 15 120.533 0.300 . 1 . . . . 24 ASP N . 26683 1 45 . 1 1 25 25 GLY H H 1 10.101 0.020 . 1 . . . . 25 GLY H . 26683 1 46 . 1 1 25 25 GLY N N 15 111.703 0.300 . 1 . . . . 25 GLY N . 26683 1 47 . 1 1 26 26 THR H H 1 7.511 0.020 . 1 . . . . 26 THR H . 26683 1 48 . 1 1 26 26 THR N N 15 109.533 0.300 . 1 . . . . 26 THR N . 26683 1 49 . 1 1 27 27 ILE H H 1 8.195 0.020 . 1 . . . . 27 ILE H . 26683 1 50 . 1 1 27 27 ILE N N 15 110.193 0.300 . 1 . . . . 27 ILE N . 26683 1 51 . 1 1 28 28 THR H H 1 8.258 0.020 . 1 . . . . 28 THR H . 26683 1 52 . 1 1 28 28 THR N N 15 110.521 0.300 . 1 . . . . 28 THR N . 26683 1 53 . 1 1 29 29 THR H H 1 8.224 0.020 . 1 . . . . 29 THR H . 26683 1 54 . 1 1 29 29 THR N N 15 112.262 0.300 . 1 . . . . 29 THR N . 26683 1 55 . 1 1 30 30 LYS H H 1 7.561 0.020 . 1 . . . . 30 LYS H . 26683 1 56 . 1 1 30 30 LYS N N 15 118.659 0.300 . 1 . . . . 30 LYS N . 26683 1 57 . 1 1 31 31 GLU H H 1 7.440 0.020 . 1 . . . . 31 GLU H . 26683 1 58 . 1 1 31 31 GLU N N 15 117.284 0.300 . 1 . . . . 31 GLU N . 26683 1 59 . 1 1 32 32 LEU H H 1 7.270 0.020 . 1 . . . . 32 LEU H . 26683 1 60 . 1 1 32 32 LEU N N 15 120.701 0.300 . 1 . . . . 32 LEU N . 26683 1 61 . 1 1 33 33 GLY H H 1 8.723 0.020 . 1 . . . . 33 GLY H . 26683 1 62 . 1 1 33 33 GLY N N 15 105.223 0.300 . 1 . . . . 33 GLY N . 26683 1 63 . 1 1 34 34 THR H H 1 7.436 0.020 . 1 . . . . 34 THR H . 26683 1 64 . 1 1 34 34 THR N N 15 118.155 0.300 . 1 . . . . 34 THR N . 26683 1 65 . 1 1 35 35 VAL H H 1 7.891 0.020 . 1 . . . . 35 VAL H . 26683 1 66 . 1 1 35 35 VAL N N 15 122.496 0.300 . 1 . . . . 35 VAL N . 26683 1 67 . 1 1 36 36 MET H H 1 8.386 0.020 . 1 . . . . 36 MET H . 26683 1 68 . 1 1 36 36 MET N N 15 118.307 0.300 . 1 . . . . 36 MET N . 26683 1 69 . 1 1 37 37 ARG H H 1 8.438 0.020 . 1 . . . . 37 ARG H . 26683 1 70 . 1 1 37 37 ARG N N 15 119.204 0.300 . 1 . . . . 37 ARG N . 26683 1 71 . 1 1 38 38 SER H H 1 8.040 0.020 . 1 . . . . 38 SER H . 26683 1 72 . 1 1 38 38 SER N N 15 118.782 0.300 . 1 . . . . 38 SER N . 26683 1 73 . 1 1 39 39 LEU H H 1 7.263 0.020 . 1 . . . . 39 LEU H . 26683 1 74 . 1 1 39 39 LEU N N 15 120.896 0.300 . 1 . . . . 39 LEU N . 26683 1 75 . 1 1 40 40 GLY H H 1 7.841 0.020 . 1 . . . . 40 GLY H . 26683 1 76 . 1 1 40 40 GLY N N 15 106.903 0.300 . 1 . . . . 40 GLY N . 26683 1 77 . 1 1 41 41 GLN H H 1 7.691 0.020 . 1 . . . . 41 GLN H . 26683 1 78 . 1 1 41 41 GLN N N 15 117.431 0.300 . 1 . . . . 41 GLN N . 26683 1 79 . 1 1 42 42 ASN H H 1 8.592 0.020 . 1 . . . . 42 ASN H . 26683 1 80 . 1 1 42 42 ASN N N 15 116.392 0.300 . 1 . . . . 42 ASN N . 26683 1 81 . 1 1 44 44 THR H H 1 8.711 0.020 . 1 . . . . 44 THR H . 26683 1 82 . 1 1 44 44 THR N N 15 113.033 0.300 . 1 . . . . 44 THR N . 26683 1 83 . 1 1 45 45 GLU H H 1 8.781 0.020 . 1 . . . . 45 GLU H . 26683 1 84 . 1 1 45 45 GLU N N 15 120.233 0.300 . 1 . . . . 45 GLU N . 26683 1 85 . 1 1 46 46 ALA H H 1 8.251 0.020 . 1 . . . . 46 ALA H . 26683 1 86 . 1 1 46 46 ALA N N 15 120.833 0.300 . 1 . . . . 46 ALA N . 26683 1 87 . 1 1 47 47 GLU H H 1 7.668 0.020 . 1 . . . . 47 GLU H . 26683 1 88 . 1 1 47 47 GLU N N 15 118.672 0.300 . 1 . . . . 47 GLU N . 26683 1 89 . 1 1 48 48 LEU H H 1 8.254 0.020 . 1 . . . . 48 LEU H . 26683 1 90 . 1 1 48 48 LEU N N 15 119.899 0.300 . 1 . . . . 48 LEU N . 26683 1 91 . 1 1 49 49 GLN H H 1 7.984 0.020 . 1 . . . . 49 GLN H . 26683 1 92 . 1 1 49 49 GLN N N 15 117.333 0.300 . 1 . . . . 49 GLN N . 26683 1 93 . 1 1 50 50 ASP H H 1 7.773 0.020 . 1 . . . . 50 ASP H . 26683 1 94 . 1 1 50 50 ASP N N 15 118.711 0.300 . 1 . . . . 50 ASP N . 26683 1 95 . 1 1 51 51 MET H H 1 7.891 0.020 . 1 . . . . 51 MET H . 26683 1 96 . 1 1 51 51 MET N N 15 118.933 0.300 . 1 . . . . 51 MET N . 26683 1 97 . 1 1 52 52 ILE H H 1 8.254 0.020 . 1 . . . . 52 ILE H . 26683 1 98 . 1 1 52 52 ILE N N 15 118.950 0.300 . 1 . . . . 52 ILE N . 26683 1 99 . 1 1 53 53 ASN H H 1 8.197 0.020 . 1 . . . . 53 ASN H . 26683 1 100 . 1 1 53 53 ASN N N 15 117.177 0.300 . 1 . . . . 53 ASN N . 26683 1 101 . 1 1 54 54 GLU H H 1 7.507 0.020 . 1 . . . . 54 GLU H . 26683 1 102 . 1 1 54 54 GLU N N 15 117.133 0.300 . 1 . . . . 54 GLU N . 26683 1 103 . 1 1 55 55 VAL H H 1 7.552 0.020 . 1 . . . . 55 VAL H . 26683 1 104 . 1 1 55 55 VAL N N 15 112.677 0.300 . 1 . . . . 55 VAL N . 26683 1 105 . 1 1 56 56 ASP H H 1 8.373 0.020 . 1 . . . . 56 ASP H . 26683 1 106 . 1 1 56 56 ASP N N 15 121.733 0.300 . 1 . . . . 56 ASP N . 26683 1 107 . 1 1 57 57 ALA H H 1 8.078 0.020 . 1 . . . . 57 ALA H . 26683 1 108 . 1 1 57 57 ALA N N 15 124.767 0.300 . 1 . . . . 57 ALA N . 26683 1 109 . 1 1 58 58 ASP H H 1 8.355 0.020 . 1 . . . . 58 ASP H . 26683 1 110 . 1 1 58 58 ASP N N 15 114.648 0.300 . 1 . . . . 58 ASP N . 26683 1 111 . 1 1 59 59 GLY H H 1 7.832 0.020 . 1 . . . . 59 GLY H . 26683 1 112 . 1 1 59 59 GLY N N 15 108.723 0.300 . 1 . . . . 59 GLY N . 26683 1 113 . 1 1 60 60 ASN H H 1 9.182 0.020 . 1 . . . . 60 ASN H . 26683 1 114 . 1 1 60 60 ASN N N 15 119.562 0.300 . 1 . . . . 60 ASN N . 26683 1 115 . 1 1 61 61 GLY H H 1 9.888 0.020 . 1 . . . . 61 GLY H . 26683 1 116 . 1 1 61 61 GLY N N 15 109.859 0.300 . 1 . . . . 61 GLY N . 26683 1 117 . 1 1 62 62 THR H H 1 7.497 0.020 . 1 . . . . 62 THR H . 26683 1 118 . 1 1 62 62 THR N N 15 110.650 0.300 . 1 . . . . 62 THR N . 26683 1 119 . 1 1 63 63 ILE H H 1 8.832 0.020 . 1 . . . . 63 ILE H . 26683 1 120 . 1 1 63 63 ILE N N 15 118.662 0.300 . 1 . . . . 63 ILE N . 26683 1 121 . 1 1 64 64 ASP H H 1 8.354 0.020 . 1 . . . . 64 ASP H . 26683 1 122 . 1 1 64 64 ASP N N 15 124.049 0.300 . 1 . . . . 64 ASP N . 26683 1 123 . 1 1 65 65 PHE H H 1 8.577 0.020 . 1 . . . . 65 PHE H . 26683 1 124 . 1 1 65 65 PHE N N 15 118.448 0.300 . 1 . . . . 65 PHE N . 26683 1 125 . 1 1 67 67 GLU H H 1 8.021 0.020 . 1 . . . . 67 GLU H . 26683 1 126 . 1 1 67 67 GLU N N 15 117.392 0.300 . 1 . . . . 67 GLU N . 26683 1 127 . 1 1 68 68 PHE H H 1 8.401 0.020 . 1 . . . . 68 PHE H . 26683 1 128 . 1 1 68 68 PHE N N 15 122.199 0.300 . 1 . . . . 68 PHE N . 26683 1 129 . 1 1 69 69 LEU H H 1 8.393 0.020 . 1 . . . . 69 LEU H . 26683 1 130 . 1 1 69 69 LEU N N 15 118.488 0.300 . 1 . . . . 69 LEU N . 26683 1 131 . 1 1 70 70 THR H H 1 7.651 0.020 . 1 . . . . 70 THR H . 26683 1 132 . 1 1 70 70 THR N N 15 115.233 0.300 . 1 . . . . 70 THR N . 26683 1 133 . 1 1 71 71 MET H H 1 7.668 0.020 . 1 . . . . 71 MET H . 26683 1 134 . 1 1 71 71 MET N N 15 121.155 0.300 . 1 . . . . 71 MET N . 26683 1 135 . 1 1 72 72 MET H H 1 7.948 0.020 . 1 . . . . 72 MET H . 26683 1 136 . 1 1 72 72 MET N N 15 117.240 0.300 . 1 . . . . 72 MET N . 26683 1 137 . 1 1 73 73 ALA H H 1 8.179 0.020 . 1 . . . . 73 ALA H . 26683 1 138 . 1 1 73 73 ALA N N 15 120.928 0.300 . 1 . . . . 73 ALA N . 26683 1 139 . 1 1 74 74 ARG H H 1 7.394 0.020 . 1 . . . . 74 ARG H . 26683 1 140 . 1 1 74 74 ARG N N 15 116.495 0.300 . 1 . . . . 74 ARG N . 26683 1 141 . 1 1 75 75 LYS H H 1 7.641 0.020 . 1 . . . . 75 LYS H . 26683 1 142 . 1 1 75 75 LYS N N 15 118.033 0.300 . 1 . . . . 75 LYS N . 26683 1 143 . 1 1 76 76 MET H H 1 7.871 0.020 . 1 . . . . 76 MET H . 26683 1 144 . 1 1 76 76 MET N N 15 117.633 0.300 . 1 . . . . 76 MET N . 26683 1 145 . 1 1 77 77 LYS H H 1 7.652 0.020 . 1 . . . . 77 LYS H . 26683 1 146 . 1 1 77 77 LYS N N 15 120.409 0.300 . 1 . . . . 77 LYS N . 26683 1 147 . 1 1 78 78 ASP H H 1 8.228 0.020 . 1 . . . . 78 ASP H . 26683 1 148 . 1 1 78 78 ASP N N 15 121.767 0.300 . 1 . . . . 78 ASP N . 26683 1 149 . 1 1 79 79 THR H H 1 8.039 0.020 . 1 . . . . 79 THR H . 26683 1 150 . 1 1 79 79 THR N N 15 114.252 0.300 . 1 . . . . 79 THR N . 26683 1 151 . 1 1 80 80 ASP H H 1 8.352 0.020 . 1 . . . . 80 ASP H . 26683 1 152 . 1 1 80 80 ASP N N 15 122.925 0.300 . 1 . . . . 80 ASP N . 26683 1 153 . 1 1 81 81 SER H H 1 8.320 0.020 . 1 . . . . 81 SER H . 26683 1 154 . 1 1 81 81 SER N N 15 116.613 0.300 . 1 . . . . 81 SER N . 26683 1 155 . 1 1 82 82 GLU H H 1 8.353 0.020 . 1 . . . . 82 GLU H . 26683 1 156 . 1 1 82 82 GLU N N 15 121.876 0.300 . 1 . . . . 82 GLU N . 26683 1 157 . 1 1 83 83 GLU H H 1 8.125 0.020 . 1 . . . . 83 GLU H . 26683 1 158 . 1 1 83 83 GLU N N 15 119.864 0.300 . 1 . . . . 83 GLU N . 26683 1 159 . 1 1 84 84 GLU H H 1 7.900 0.020 . 1 . . . . 84 GLU H . 26683 1 160 . 1 1 84 84 GLU N N 15 118.973 0.300 . 1 . . . . 84 GLU N . 26683 1 161 . 1 1 85 85 ILE H H 1 7.977 0.020 . 1 . . . . 85 ILE H . 26683 1 162 . 1 1 85 85 ILE N N 15 120.899 0.300 . 1 . . . . 85 ILE N . 26683 1 163 . 1 1 86 86 ARG H H 1 8.179 0.020 . 1 . . . . 86 ARG H . 26683 1 164 . 1 1 86 86 ARG N N 15 121.318 0.300 . 1 . . . . 86 ARG N . 26683 1 165 . 1 1 87 87 GLU H H 1 8.265 0.020 . 1 . . . . 87 GLU H . 26683 1 166 . 1 1 87 87 GLU N N 15 119.274 0.300 . 1 . . . . 87 GLU N . 26683 1 167 . 1 1 88 88 ALA H H 1 7.866 0.020 . 1 . . . . 88 ALA H . 26683 1 168 . 1 1 88 88 ALA N N 15 122.173 0.300 . 1 . . . . 88 ALA N . 26683 1 169 . 1 1 89 89 PHE H H 1 7.883 0.020 . 1 . . . . 89 PHE H . 26683 1 170 . 1 1 89 89 PHE N N 15 116.002 0.300 . 1 . . . . 89 PHE N . 26683 1 171 . 1 1 93 93 ALA H H 1 7.973 0.020 . 1 . . . . 93 ALA H . 26683 1 172 . 1 1 93 93 ALA N N 15 122.815 0.300 . 1 . . . . 93 ALA N . 26683 1 173 . 1 1 94 94 LYS H H 1 8.068 0.020 . 1 . . . . 94 LYS H . 26683 1 174 . 1 1 94 94 LYS N N 15 120.302 0.300 . 1 . . . . 94 LYS N . 26683 1 175 . 1 1 95 95 ASP H H 1 8.266 0.020 . 1 . . . . 95 ASP H . 26683 1 176 . 1 1 95 95 ASP N N 15 118.968 0.300 . 1 . . . . 95 ASP N . 26683 1 177 . 1 1 96 96 GLY H H 1 8.113 0.020 . 1 . . . . 96 GLY H . 26683 1 178 . 1 1 96 96 GLY N N 15 107.633 0.300 . 1 . . . . 96 GLY N . 26683 1 179 . 1 1 97 97 ASN H H 1 8.232 0.020 . 1 . . . . 97 ASN H . 26683 1 180 . 1 1 97 97 ASN N N 15 117.894 0.300 . 1 . . . . 97 ASN N . 26683 1 181 . 1 1 98 98 GLY H H 1 8.304 0.020 . 1 . . . . 98 GLY H . 26683 1 182 . 1 1 98 98 GLY N N 15 107.446 0.300 . 1 . . . . 98 GLY N . 26683 1 183 . 1 1 99 99 TYR H H 1 7.843 0.020 . 1 . . . . 99 TYR H . 26683 1 184 . 1 1 99 99 TYR N N 15 118.763 0.300 . 1 . . . . 99 TYR N . 26683 1 185 . 1 1 101 101 SER H H 1 8.508 0.020 . 1 . . . . 101 SER H . 26683 1 186 . 1 1 101 101 SER N N 15 119.086 0.300 . 1 . . . . 101 SER N . 26683 1 187 . 1 1 102 102 ALA H H 1 8.676 0.020 . 1 . . . . 102 ALA H . 26683 1 188 . 1 1 102 102 ALA N N 15 124.846 0.300 . 1 . . . . 102 ALA N . 26683 1 189 . 1 1 103 103 ALA H H 1 8.225 0.020 . 1 . . . . 103 ALA H . 26683 1 190 . 1 1 103 103 ALA N N 15 118.990 0.300 . 1 . . . . 103 ALA N . 26683 1 191 . 1 1 104 104 GLU H H 1 7.739 0.020 . 1 . . . . 104 GLU H . 26683 1 192 . 1 1 104 104 GLU N N 15 118.542 0.300 . 1 . . . . 104 GLU N . 26683 1 193 . 1 1 105 105 LEU H H 1 8.078 0.020 . 1 . . . . 105 LEU H . 26683 1 194 . 1 1 105 105 LEU N N 15 120.754 0.300 . 1 . . . . 105 LEU N . 26683 1 195 . 1 1 106 106 ARG H H 1 8.023 0.020 . 1 . . . . 106 ARG H . 26683 1 196 . 1 1 106 106 ARG N N 15 117.594 0.300 . 1 . . . . 106 ARG N . 26683 1 197 . 1 1 107 107 HIS H H 1 7.695 0.020 . 1 . . . . 107 HIS H . 26683 1 198 . 1 1 107 107 HIS N N 15 117.689 0.300 . 1 . . . . 107 HIS N . 26683 1 199 . 1 1 108 108 VAL H H 1 7.932 0.020 . 1 . . . . 108 VAL H . 26683 1 200 . 1 1 108 108 VAL N N 15 118.951 0.300 . 1 . . . . 108 VAL N . 26683 1 201 . 1 1 109 109 MET H H 1 8.140 0.020 . 1 . . . . 109 MET H . 26683 1 202 . 1 1 109 109 MET N N 15 117.489 0.300 . 1 . . . . 109 MET N . 26683 1 203 . 1 1 110 110 THR H H 1 7.914 0.020 . 1 . . . . 110 THR H . 26683 1 204 . 1 1 110 110 THR N N 15 112.447 0.300 . 1 . . . . 110 THR N . 26683 1 205 . 1 1 111 111 ASN H H 1 7.906 0.020 . 1 . . . . 111 ASN H . 26683 1 206 . 1 1 111 111 ASN N N 15 119.669 0.300 . 1 . . . . 111 ASN N . 26683 1 207 . 1 1 112 112 LEU H H 1 7.773 0.020 . 1 . . . . 112 LEU H . 26683 1 208 . 1 1 112 112 LEU N N 15 119.890 0.300 . 1 . . . . 112 LEU N . 26683 1 209 . 1 1 113 113 GLY H H 1 8.168 0.020 . 1 . . . . 113 GLY H . 26683 1 210 . 1 1 113 113 GLY N N 15 107.803 0.300 . 1 . . . . 113 GLY N . 26683 1 211 . 1 1 114 114 GLU H H 1 8.014 0.020 . 1 . . . . 114 GLU H . 26683 1 212 . 1 1 114 114 GLU N N 15 119.894 0.300 . 1 . . . . 114 GLU N . 26683 1 213 . 1 1 115 115 LYS H H 1 8.238 0.020 . 1 . . . . 115 LYS H . 26683 1 214 . 1 1 115 115 LYS N N 15 120.422 0.300 . 1 . . . . 115 LYS N . 26683 1 215 . 1 1 116 116 LEU H H 1 7.854 0.020 . 1 . . . . 116 LEU H . 26683 1 216 . 1 1 116 116 LEU N N 15 122.019 0.300 . 1 . . . . 116 LEU N . 26683 1 217 . 1 1 117 117 THR H H 1 8.774 0.020 . 1 . . . . 117 THR H . 26683 1 218 . 1 1 117 117 THR N N 15 113.451 0.300 . 1 . . . . 117 THR N . 26683 1 219 . 1 1 118 118 ASP H H 1 8.697 0.020 . 1 . . . . 118 ASP H . 26683 1 220 . 1 1 118 118 ASP N N 15 120.838 0.300 . 1 . . . . 118 ASP N . 26683 1 221 . 1 1 119 119 GLU H H 1 8.488 0.020 . 1 . . . . 119 GLU H . 26683 1 222 . 1 1 119 119 GLU N N 15 118.257 0.300 . 1 . . . . 119 GLU N . 26683 1 223 . 1 1 120 120 GLU H H 1 7.781 0.020 . 1 . . . . 120 GLU H . 26683 1 224 . 1 1 120 120 GLU N N 15 120.199 0.300 . 1 . . . . 120 GLU N . 26683 1 225 . 1 1 121 121 VAL H H 1 8.119 0.020 . 1 . . . . 121 VAL H . 26683 1 226 . 1 1 121 121 VAL N N 15 120.736 0.300 . 1 . . . . 121 VAL N . 26683 1 227 . 1 1 122 122 ASP H H 1 8.255 0.020 . 1 . . . . 122 ASP H . 26683 1 228 . 1 1 122 122 ASP N N 15 119.741 0.300 . 1 . . . . 122 ASP N . 26683 1 229 . 1 1 123 123 GLU H H 1 8.212 0.020 . 1 . . . . 123 GLU H . 26683 1 230 . 1 1 123 123 GLU N N 15 119.934 0.300 . 1 . . . . 123 GLU N . 26683 1 231 . 1 1 124 124 MET H H 1 7.853 0.020 . 1 . . . . 124 MET H . 26683 1 232 . 1 1 124 124 MET N N 15 119.225 0.300 . 1 . . . . 124 MET N . 26683 1 233 . 1 1 125 125 ILE H H 1 8.171 0.020 . 1 . . . . 125 ILE H . 26683 1 234 . 1 1 125 125 ILE N N 15 119.223 0.300 . 1 . . . . 125 ILE N . 26683 1 235 . 1 1 126 126 ARG H H 1 7.905 0.020 . 1 . . . . 126 ARG H . 26683 1 236 . 1 1 126 126 ARG N N 15 120.066 0.300 . 1 . . . . 126 ARG N . 26683 1 237 . 1 1 127 127 GLU H H 1 8.028 0.020 . 1 . . . . 127 GLU H . 26683 1 238 . 1 1 127 127 GLU N N 15 117.882 0.300 . 1 . . . . 127 GLU N . 26683 1 239 . 1 1 128 128 ALA H H 1 7.695 0.020 . 1 . . . . 128 ALA H . 26683 1 240 . 1 1 128 128 ALA N N 15 121.373 0.300 . 1 . . . . 128 ALA N . 26683 1 241 . 1 1 129 129 ALA H H 1 7.999 0.020 . 1 . . . . 129 ALA H . 26683 1 242 . 1 1 129 129 ALA N N 15 121.227 0.300 . 1 . . . . 129 ALA N . 26683 1 243 . 1 1 130 130 ILE H H 1 7.774 0.020 . 1 . . . . 130 ILE H . 26683 1 244 . 1 1 130 130 ILE N N 15 118.856 0.300 . 1 . . . . 130 ILE N . 26683 1 245 . 1 1 131 131 ASP H H 1 8.335 0.020 . 1 . . . . 131 ASP H . 26683 1 246 . 1 1 131 131 ASP N N 15 123.284 0.300 . 1 . . . . 131 ASP N . 26683 1 247 . 1 1 132 132 GLY H H 1 8.229 0.020 . 1 . . . . 132 GLY H . 26683 1 248 . 1 1 132 132 GLY N N 15 108.046 0.300 . 1 . . . . 132 GLY N . 26683 1 249 . 1 1 133 133 ASP H H 1 8.183 0.020 . 1 . . . . 133 ASP H . 26683 1 250 . 1 1 133 133 ASP N N 15 119.543 0.300 . 1 . . . . 133 ASP N . 26683 1 251 . 1 1 134 134 GLY H H 1 8.213 0.020 . 1 . . . . 134 GLY H . 26683 1 252 . 1 1 134 134 GLY N N 15 108.030 0.300 . 1 . . . . 134 GLY N . 26683 1 253 . 1 1 135 135 GLN H H 1 8.106 0.020 . 1 . . . . 135 GLN H . 26683 1 254 . 1 1 135 135 GLN N N 15 118.740 0.300 . 1 . . . . 135 GLN N . 26683 1 255 . 1 1 137 137 ASN H H 1 8.587 0.020 . 1 . . . . 137 ASN H . 26683 1 256 . 1 1 137 137 ASN N N 15 123.656 0.300 . 1 . . . . 137 ASN N . 26683 1 257 . 1 1 138 138 TYR H H 1 8.278 0.020 . 1 . . . . 138 TYR H . 26683 1 258 . 1 1 138 138 TYR N N 15 123.192 0.300 . 1 . . . . 138 TYR N . 26683 1 259 . 1 1 139 139 GLU H H 1 8.194 0.020 . 1 . . . . 139 GLU H . 26683 1 260 . 1 1 139 139 GLU N N 15 119.739 0.300 . 1 . . . . 139 GLU N . 26683 1 261 . 1 1 141 141 PHE H H 1 7.973 0.020 . 1 . . . . 141 PHE H . 26683 1 262 . 1 1 141 141 PHE N N 15 120.644 0.300 . 1 . . . . 141 PHE N . 26683 1 263 . 1 1 142 142 VAL H H 1 8.120 0.020 . 1 . . . . 142 VAL H . 26683 1 264 . 1 1 142 142 VAL N N 15 118.761 0.300 . 1 . . . . 142 VAL N . 26683 1 265 . 1 1 143 143 GLN H H 1 7.763 0.020 . 1 . . . . 143 GLN H . 26683 1 266 . 1 1 143 143 GLN N N 15 119.641 0.300 . 1 . . . . 143 GLN N . 26683 1 267 . 1 1 144 144 MET H H 1 7.788 0.020 . 1 . . . . 144 MET H . 26683 1 268 . 1 1 144 144 MET N N 15 116.758 0.300 . 1 . . . . 144 MET N . 26683 1 269 . 1 1 145 145 MET H H 1 7.870 0.020 . 1 . . . . 145 MET H . 26683 1 270 . 1 1 145 145 MET N N 15 117.399 0.300 . 1 . . . . 145 MET N . 26683 1 271 . 1 1 146 146 THR H H 1 7.649 0.020 . 1 . . . . 146 THR H . 26683 1 272 . 1 1 146 146 THR N N 15 111.439 0.300 . 1 . . . . 146 THR N . 26683 1 273 . 1 1 147 147 ALA H H 1 7.718 0.020 . 1 . . . . 147 ALA H . 26683 1 274 . 1 1 147 147 ALA N N 15 126.027 0.300 . 1 . . . . 147 ALA N . 26683 1 275 . 1 1 148 148 LYS H H 1 7.662 0.020 . 1 . . . . 148 LYS H . 26683 1 276 . 1 1 148 148 LYS N N 15 125.356 0.300 . 1 . . . . 148 LYS N . 26683 1 stop_ save_