data_19294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19294 _Entry.Title ; DNA-binding domain of T. brucei telomeric protein tbTRF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-09 _Entry.Accession_date 2013-06-09 _Entry.Last_release_date 2014-07-14 _Entry.Original_release_date 2014-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Xiaohua LI . . . 19294 2 Fei YE . . . 19294 3 Mingjie ZHANG . . . 19294 4 Yanxiang ZHAO . . . 19294 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' . 19294 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA-binding . 19294 'T. brucei' . 19294 'telomeric protein' . 19294 VSG . 19294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 98 19294 '1H chemical shifts' 97 19294 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 . . 2014-07-14 2013-06-09 original author . 19294 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2m9h 'BMRB Entry Tracking System' 19294 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19294 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'DNA-binding domain of T. brucei telomeric protein tbTRF' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiaohua LI . . . 19294 1 2 Fei YE . . . 19294 1 3 Mingjie ZHANG . . . 19294 1 4 Yanxiang ZHAO . . . 19294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19294 _Assembly.ID 1 _Assembly.Name 'DNA-binding domain of T. brucei telomeric protein tbTRF' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 'DNA-binding domain of T. brucei telomeric protein tbTRF' 1 $entity A . yes native no no . . . 19294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSLSNFANVGVGTSSGKQ KRYKFSASEDEAIIKGLARF TKGQQRFQQIYYAYRSVWHP ARTVSQLYDHWRGTLRYKVI QQQGYRGKNSVAARSPEKAS NMENNE ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12054.533 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M9H . "Dna-binding Domain Of T. Brucei Telomeric Protein Tbtrf" . . . . . 100.00 106 100.00 100.00 6.97e-71 . . . . 19294 1 2 no EMBL CBH16451 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 96.23 382 100.00 100.00 1.04e-65 . . . . 19294 1 3 no GB AAX86992 . "TTAGGG binding factor [Trypanosoma brucei]" . . . . . 96.23 382 100.00 100.00 1.09e-65 . . . . 19294 1 4 no GB EAN78659 . "hypothetical protein, conserved [Trypanosoma brucei brucei TREU927]" . . . . . 96.23 382 99.02 100.00 5.46e-65 . . . . 19294 1 5 no REF XP_011778715 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 96.23 382 100.00 100.00 1.04e-65 . . . . 19294 1 6 no REF XP_823487 . "hypothetical protein [Trypanosoma brucei brucei TREU927]" . . . . . 96.23 382 99.02 100.00 5.46e-65 . . . . 19294 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19294 1 2 . PRO . 19294 1 3 . GLY . 19294 1 4 . SER . 19294 1 5 . LEU . 19294 1 6 . SER . 19294 1 7 . ASN . 19294 1 8 . PHE . 19294 1 9 . ALA . 19294 1 10 . ASN . 19294 1 11 . VAL . 19294 1 12 . GLY . 19294 1 13 . VAL . 19294 1 14 . GLY . 19294 1 15 . THR . 19294 1 16 . SER . 19294 1 17 . SER . 19294 1 18 . GLY . 19294 1 19 . LYS . 19294 1 20 . GLN . 19294 1 21 . LYS . 19294 1 22 . ARG . 19294 1 23 . TYR . 19294 1 24 . LYS . 19294 1 25 . PHE . 19294 1 26 . SER . 19294 1 27 . ALA . 19294 1 28 . SER . 19294 1 29 . GLU . 19294 1 30 . ASP . 19294 1 31 . GLU . 19294 1 32 . ALA . 19294 1 33 . ILE . 19294 1 34 . ILE . 19294 1 35 . LYS . 19294 1 36 . GLY . 19294 1 37 . LEU . 19294 1 38 . ALA . 19294 1 39 . ARG . 19294 1 40 . PHE . 19294 1 41 . THR . 19294 1 42 . LYS . 19294 1 43 . GLY . 19294 1 44 . GLN . 19294 1 45 . GLN . 19294 1 46 . ARG . 19294 1 47 . PHE . 19294 1 48 . GLN . 19294 1 49 . GLN . 19294 1 50 . ILE . 19294 1 51 . TYR . 19294 1 52 . TYR . 19294 1 53 . ALA . 19294 1 54 . TYR . 19294 1 55 . ARG . 19294 1 56 . SER . 19294 1 57 . VAL . 19294 1 58 . TRP . 19294 1 59 . HIS . 19294 1 60 . PRO . 19294 1 61 . ALA . 19294 1 62 . ARG . 19294 1 63 . THR . 19294 1 64 . VAL . 19294 1 65 . SER . 19294 1 66 . GLN . 19294 1 67 . LEU . 19294 1 68 . TYR . 19294 1 69 . ASP . 19294 1 70 . HIS . 19294 1 71 . TRP . 19294 1 72 . ARG . 19294 1 73 . GLY . 19294 1 74 . THR . 19294 1 75 . LEU . 19294 1 76 . ARG . 19294 1 77 . TYR . 19294 1 78 . LYS . 19294 1 79 . VAL . 19294 1 80 . ILE . 19294 1 81 . GLN . 19294 1 82 . GLN . 19294 1 83 . GLN . 19294 1 84 . GLY . 19294 1 85 . TYR . 19294 1 86 . ARG . 19294 1 87 . GLY . 19294 1 88 . LYS . 19294 1 89 . ASN . 19294 1 90 . SER . 19294 1 91 . VAL . 19294 1 92 . ALA . 19294 1 93 . ALA . 19294 1 94 . ARG . 19294 1 95 . SER . 19294 1 96 . PRO . 19294 1 97 . GLU . 19294 1 98 . LYS . 19294 1 99 . ALA . 19294 1 100 . SER . 19294 1 101 . ASN . 19294 1 102 . MET . 19294 1 103 . GLU . 19294 1 104 . ASN . 19294 1 105 . ASN . 19294 1 106 . GLU . 19294 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 . GLY 1 1 19294 1 . PRO 2 2 19294 1 . GLY 3 3 19294 1 . SER 4 4 19294 1 . LEU 5 5 19294 1 . SER 6 6 19294 1 . ASN 7 7 19294 1 . PHE 8 8 19294 1 . ALA 9 9 19294 1 . ASN 10 10 19294 1 . VAL 11 11 19294 1 . GLY 12 12 19294 1 . VAL 13 13 19294 1 . GLY 14 14 19294 1 . THR 15 15 19294 1 . SER 16 16 19294 1 . SER 17 17 19294 1 . GLY 18 18 19294 1 . LYS 19 19 19294 1 . GLN 20 20 19294 1 . LYS 21 21 19294 1 . ARG 22 22 19294 1 . TYR 23 23 19294 1 . LYS 24 24 19294 1 . PHE 25 25 19294 1 . SER 26 26 19294 1 . ALA 27 27 19294 1 . SER 28 28 19294 1 . GLU 29 29 19294 1 . ASP 30 30 19294 1 . GLU 31 31 19294 1 . ALA 32 32 19294 1 . ILE 33 33 19294 1 . ILE 34 34 19294 1 . LYS 35 35 19294 1 . GLY 36 36 19294 1 . LEU 37 37 19294 1 . ALA 38 38 19294 1 . ARG 39 39 19294 1 . PHE 40 40 19294 1 . THR 41 41 19294 1 . LYS 42 42 19294 1 . GLY 43 43 19294 1 . GLN 44 44 19294 1 . GLN 45 45 19294 1 . ARG 46 46 19294 1 . PHE 47 47 19294 1 . GLN 48 48 19294 1 . GLN 49 49 19294 1 . ILE 50 50 19294 1 . TYR 51 51 19294 1 . TYR 52 52 19294 1 . ALA 53 53 19294 1 . TYR 54 54 19294 1 . ARG 55 55 19294 1 . SER 56 56 19294 1 . VAL 57 57 19294 1 . TRP 58 58 19294 1 . HIS 59 59 19294 1 . PRO 60 60 19294 1 . ALA 61 61 19294 1 . ARG 62 62 19294 1 . THR 63 63 19294 1 . VAL 64 64 19294 1 . SER 65 65 19294 1 . GLN 66 66 19294 1 . LEU 67 67 19294 1 . TYR 68 68 19294 1 . ASP 69 69 19294 1 . HIS 70 70 19294 1 . TRP 71 71 19294 1 . ARG 72 72 19294 1 . GLY 73 73 19294 1 . THR 74 74 19294 1 . LEU 75 75 19294 1 . ARG 76 76 19294 1 . TYR 77 77 19294 1 . LYS 78 78 19294 1 . VAL 79 79 19294 1 . ILE 80 80 19294 1 . GLN 81 81 19294 1 . GLN 82 82 19294 1 . GLN 83 83 19294 1 . GLY 84 84 19294 1 . TYR 85 85 19294 1 . ARG 86 86 19294 1 . GLY 87 87 19294 1 . LYS 88 88 19294 1 . ASN 89 89 19294 1 . SER 90 90 19294 1 . VAL 91 91 19294 1 . ALA 92 92 19294 1 . ALA 93 93 19294 1 . ARG 94 94 19294 1 . SER 95 95 19294 1 . PRO 96 96 19294 1 . GLU 97 97 19294 1 . LYS 98 98 19294 1 . ALA 99 99 19294 1 . SER 100 100 19294 1 . ASN 101 101 19294 1 . MET 102 102 19294 1 . GLU 103 103 19294 1 . ASN 104 104 19294 1 . ASN 105 105 19294 1 . GLU 106 106 19294 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 19294 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9615 organism . 'Canis familiaris' dog . . Eukaryota Metazoa Canis familiaris . . . . . . . . . . . . . . . . . . . . . 19294 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 19294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM . . . . . . 19294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19294 _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 'DNA-binding domain of T. brucei telomeric protein tbTRF' 'natural abundance' . . 1 $entity . . . . . mM . . . . 19294 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19294 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 19294 _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' 0.1 . M 19294 1 pH 5.6 . pH 19294 1 pressure 1 . atm 19294 1 temperature 303 . K 19294 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19294 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19294 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19294 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 19294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19294 _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 Varian INOVA . 500 . . . 19294 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 19294 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1 2 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1 3 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1 5 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19294 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CNS _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19294 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19294 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19294 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19294 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 19294 _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' . . . 19294 1 2 '3D 1H-15N NOESY' . . . 19294 1 4 '3D HNCACB' . . . 19294 1 5 '3D 1H-13C NOESY' . . . 19294 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 1 1 GLY N N 15 110.7530 . . . . . . A 1 GLY N . 19294 1 2 . 1 1 3 3 GLY H H 1 8.5850 . . . . . . . 3 GLY HN . 19294 1 3 . 1 1 3 3 GLY N N 15 109.8510 . . . . . . A 3 GLY N . 19294 1 4 . 1 1 4 4 SER H H 1 8.1290 . . . . . . . 4 SER HN . 19294 1 5 . 1 1 4 4 SER N N 15 115.5420 . . . . . . A 4 SER N . 19294 1 6 . 1 1 5 5 LEU H H 1 8.3150 . . . . . . . 5 LEU HN . 19294 1 7 . 1 1 5 5 LEU N N 15 123.9290 . . . . . . A 5 LEU N . 19294 1 8 . 1 1 6 6 SER H H 1 8.1910 . . . . . . . 6 SER HN . 19294 1 9 . 1 1 6 6 SER N N 15 115.9120 . . . . . . A 6 SER N . 19294 1 10 . 1 1 7 7 ASN H H 1 8.4000 . . . . . . . 7 ASN HN . 19294 1 11 . 1 1 7 7 ASN N N 15 120.4070 . . . . . . A 7 ASN N . 19294 1 12 . 1 1 8 8 PHE H H 1 8.0830 . . . . . . . 8 PHE HN . 19294 1 13 . 1 1 8 8 PHE N N 15 120.0590 . . . . . . A 8 PHE N . 19294 1 14 . 1 1 9 9 ALA H H 1 8.0720 . . . . . . . 9 ALA HN . 19294 1 15 . 1 1 9 9 ALA N N 15 124.3250 . . . . . . A 9 ALA N . 19294 1 16 . 1 1 10 10 ASN H H 1 8.2370 . . . . . . . 10 ASN HN . 19294 1 17 . 1 1 10 10 ASN N N 15 117.5590 . . . . . . A 10 ASN N . 19294 1 18 . 1 1 11 11 VAL H H 1 7.9490 . . . . . . . 11 VAL HN . 19294 1 19 . 1 1 11 11 VAL N N 15 119.3910 . . . . . . A 11 VAL N . 19294 1 20 . 1 1 12 12 GLY H H 1 8.4260 . . . . . . . 12 GLY HN . 19294 1 21 . 1 1 12 12 GLY N N 15 112.1240 . . . . . . A 12 GLY N . 19294 1 22 . 1 1 13 13 VAL H H 1 7.9800 . . . . . . . 13 VAL HN . 19294 1 23 . 1 1 13 13 VAL N N 15 118.9780 . . . . . . A 13 VAL N . 19294 1 24 . 1 1 14 14 GLY H H 1 8.5100 . . . . . . . 14 GLY HN . 19294 1 25 . 1 1 14 14 GLY N N 15 112.2590 . . . . . . A 14 GLY N . 19294 1 26 . 1 1 15 15 THR H H 1 8.0580 . . . . . . . 15 THR HN . 19294 1 27 . 1 1 15 15 THR N N 15 113.2940 . . . . . . A 15 THR N . 19294 1 28 . 1 1 16 16 SER H H 1 8.4090 . . . . . . . 16 SER HN . 19294 1 29 . 1 1 16 16 SER N N 15 118.0150 . . . . . . A 16 SER N . 19294 1 30 . 1 1 17 17 SER H H 1 8.3360 . . . . . . . 17 SER HN . 19294 1 31 . 1 1 17 17 SER N N 15 117.6420 . . . . . . A 17 SER N . 19294 1 32 . 1 1 18 18 GLY H H 1 8.3690 . . . . . . . 18 GLY HN . 19294 1 33 . 1 1 18 18 GLY N N 15 110.6610 . . . . . . A 18 GLY N . 19294 1 34 . 1 1 19 19 LYS H H 1 8.1050 . . . . . . . 19 LYS HN . 19294 1 35 . 1 1 19 19 LYS N N 15 120.5100 . . . . . . . 19 LYS N . 19294 1 36 . 1 1 20 20 GLN H H 1 8.2550 . . . . . . . 20 GLN HN . 19294 1 37 . 1 1 20 20 GLN N N 15 120.8150 . . . . . . A 20 GLN N . 19294 1 38 . 1 1 21 21 LYS H H 1 8.2350 . . . . . . . 21 LYS HN . 19294 1 39 . 1 1 21 21 LYS N N 15 123.1900 . . . . . . . 21 LYS N . 19294 1 40 . 1 1 22 22 ARG H H 1 8.0050 . . . . . . . 22 ARG HN . 19294 1 41 . 1 1 22 22 ARG N N 15 122.0380 . . . . . . . 22 ARG N . 19294 1 42 . 1 1 23 23 TYR H H 1 8.3320 . . . . . . . 23 TYR HN . 19294 1 43 . 1 1 23 23 TYR N N 15 122.2490 . . . . . . A 23 TYR N . 19294 1 44 . 1 1 24 24 LYS H H 1 8.5910 . . . . . . . 24 LYS HN . 19294 1 45 . 1 1 24 24 LYS N N 15 125.906 . . . . . . . 24 LYS N . 19294 1 46 . 1 1 25 25 PHE H H 1 8.8750 . . . . . . . 25 PHE HN . 19294 1 47 . 1 1 25 25 PHE N N 15 124.526 . . . . . . A 25 PHE N . 19294 1 48 . 1 1 26 26 SER H H 1 9.5360 . . . . . . . 26 SER HN . 19294 1 49 . 1 1 26 26 SER N N 15 121.585 . . . . . . A 26 SER N . 19294 1 50 . 1 1 27 27 ALA H H 1 9.0420 . . . . . . . 27 ALA HN . 19294 1 51 . 1 1 27 27 ALA N N 15 124.035 . . . . . . A 27 ALA N . 19294 1 52 . 1 1 28 28 SER H H 1 8.3230 . . . . . . . 28 SER HN . 19294 1 53 . 1 1 28 28 SER N N 15 112.803 . . . . . . A 28 SER N . 19294 1 54 . 1 1 29 29 GLU H H 1 7.8600 . . . . . . . 29 GLU HN . 19294 1 55 . 1 1 29 29 GLU N N 15 123.527 . . . . . . A 29 GLU N . 19294 1 56 . 1 1 30 30 ASP H H 1 8.2620 . . . . . . . 30 ASP HN . 19294 1 57 . 1 1 30 30 ASP N N 15 120.1940 . . . . . . A 30 ASP N . 19294 1 58 . 1 1 31 31 GLU H H 1 8.1790 . . . . . . . 31 GLU HN . 19294 1 59 . 1 1 31 31 GLU N N 15 117.806 . . . . . . A 31 GLU N . 19294 1 60 . 1 1 32 32 ALA H H 1 7.6390 . . . . . . . 32 ALA HN . 19294 1 61 . 1 1 32 32 ALA N N 15 121.610 . . . . . . A 32 ALA N . 19294 1 62 . 1 1 33 33 ILE H H 1 8.1440 . . . . . . . 33 ILE HN . 19294 1 63 . 1 1 33 33 ILE N N 15 117.076 . . . . . . A 33 ILE N . 19294 1 64 . 1 1 34 34 ILE H H 1 7.925 . . . . . . . 34 ILE HN . 19294 1 65 . 1 1 34 34 ILE N N 15 118.607 . . . . . . A 34 ILE N . 19294 1 66 . 1 1 35 35 LYS H H 1 8.578 . . . . . . . 35 LYS HN . 19294 1 67 . 1 1 35 35 LYS N N 15 120.394 . . . . . . . 35 LYS N . 19294 1 68 . 1 1 36 36 GLY H H 1 8.8660 . . . . . . . 36 GLY HN . 19294 1 69 . 1 1 36 36 GLY N N 15 110.322 . . . . . . A 36 GLY N . 19294 1 70 . 1 1 37 37 LEU H H 1 8.6100 . . . . . . . 37 LEU HN . 19294 1 71 . 1 1 37 37 LEU N N 15 123.178 . . . . . . A 37 LEU N . 19294 1 72 . 1 1 38 38 ALA H H 1 7.0160 . . . . . . . 38 ALA HN . 19294 1 73 . 1 1 38 38 ALA N N 15 117.618 . . . . . . A 38 ALA N . 19294 1 74 . 1 1 39 39 ARG H H 1 7.2740 . . . . . . . 39 ARG HN . 19294 1 75 . 1 1 39 39 ARG N N 15 118.101 . . . . . . . 39 ARG N . 19294 1 76 . 1 1 40 40 PHE H H 1 8.3170 . . . . . . . 40 PHE HN . 19294 1 77 . 1 1 40 40 PHE N N 15 120.820 . . . . . . A 40 PHE N . 19294 1 78 . 1 1 41 41 THR H H 1 7.9670 . . . . . . . 41 THR HN . 19294 1 79 . 1 1 41 41 THR N N 15 111.784 . . . . . . A 41 THR N . 19294 1 80 . 1 1 42 42 LYS H H 1 7.909 . . . . . . . 42 LYS HN . 19294 1 81 . 1 1 42 42 LYS N N 15 119.745 . . . . . . . 42 LYS N . 19294 1 82 . 1 1 43 43 GLY H H 1 8.413 . . . . . . . 43 GLY HN . 19294 1 83 . 1 1 43 43 GLY N N 15 109.836 . . . . . . A 43 GLY N . 19294 1 84 . 1 1 44 44 GLN H H 1 8.7010 . . . . . . . 44 GLN HN . 19294 1 85 . 1 1 44 44 GLN N N 15 119.3850 . . . . . . A 44 GLN N . 19294 1 86 . 1 1 45 45 GLN H H 1 8.7010 . . . . . . . 45 GLN HN . 19294 1 87 . 1 1 45 45 GLN N N 15 117.9450 . . . . . . A 45 GLN N . 19294 1 88 . 1 1 46 46 ARG H H 1 7.5080 . . . . . . . 46 ARG HN . 19294 1 89 . 1 1 46 46 ARG N N 15 120.0310 . . . . . . . 46 ARG N . 19294 1 90 . 1 1 47 47 PHE H H 1 8.1920 . . . . . . . 47 PHE HN . 19294 1 91 . 1 1 47 47 PHE N N 15 114.9420 . . . . . . A 47 PHE N . 19294 1 92 . 1 1 48 48 GLN H H 1 7.9520 . . . . . . . 48 GLN HN . 19294 1 93 . 1 1 48 48 GLN N N 15 122.0790 . . . . . . A 48 GLN N . 19294 1 94 . 1 1 49 49 GLN H H 1 7.8730 . . . . . . . 49 GLN HN . 19294 1 95 . 1 1 49 49 GLN N N 15 117.5120 . . . . . . A 49 GLN N . 19294 1 96 . 1 1 50 50 ILE H H 1 8.0000 . . . . . . . 50 ILE HN . 19294 1 97 . 1 1 50 50 ILE N N 15 119.8700 . . . . . . A 50 ILE N . 19294 1 98 . 1 1 51 51 TYR H H 1 8.3490 . . . . . . . 51 TYR HN . 19294 1 99 . 1 1 51 51 TYR N N 15 119.3290 . . . . . . A 51 TYR N . 19294 1 100 . 1 1 52 52 TYR H H 1 8.0420 . . . . . . . 52 TYR HN . 19294 1 101 . 1 1 52 52 TYR N N 15 114.6380 . . . . . . A 52 TYR N . 19294 1 102 . 1 1 53 53 ALA H H 1 8.3320 . . . . . . . 53 ALA HN . 19294 1 103 . 1 1 53 53 ALA N N 15 122.2390 . . . . . . A 53 ALA N . 19294 1 104 . 1 1 54 54 TYR H H 1 7.3580 . . . . . . . 54 TYR HN . 19294 1 105 . 1 1 54 54 TYR N N 15 115.4350 . . . . . . A 54 TYR N . 19294 1 106 . 1 1 55 55 ARG H H 1 6.6250 . . . . . . . 55 ARG HN . 19294 1 107 . 1 1 55 55 ARG N N 15 118.1540 . . . . . . . 55 ARG N . 19294 1 108 . 1 1 56 56 SER H H 1 8.1490 . . . . . . . 56 SER HN . 19294 1 109 . 1 1 56 56 SER N N 15 110.8070 . . . . . . A 56 SER N . 19294 1 110 . 1 1 57 57 VAL H H 1 7.7900 . . . . . . . 57 VAL HN . 19294 1 111 . 1 1 57 57 VAL N N 15 120.6480 . . . . . . A 57 VAL N . 19294 1 112 . 1 1 58 58 TRP H H 1 5.9020 . . . . . . . 58 TRP HN . 19294 1 113 . 1 1 58 58 TRP N N 15 114.0040 . . . . . . A 58 TRP N . 19294 1 114 . 1 1 59 59 HIS H H 1 8.6580 . . . . . . . 59 HIS HN . 19294 1 115 . 1 1 59 59 HIS N N 15 125.0340 . . . . . . . 59 HIS N . 19294 1 116 . 1 1 61 61 ALA H H 1 8.2200 . . . . . . . 61 ALA HN . 19294 1 117 . 1 1 61 61 ALA N N 15 123.7400 . . . . . . A 61 ALA N . 19294 1 118 . 1 1 62 62 ARG H H 1 8.2210 . . . . . . . 62 ARG HN . 19294 1 119 . 1 1 62 62 ARG N N 15 120.1180 . . . . . . . 62 ARG N . 19294 1 120 . 1 1 63 63 THR H H 1 6.8600 . . . . . . . 63 THR HN . 19294 1 121 . 1 1 63 63 THR N N 15 114.0280 . . . . . . A 63 THR N . 19294 1 122 . 1 1 64 64 VAL H H 1 8.1040 . . . . . . . 64 VAL HN . 19294 1 123 . 1 1 64 64 VAL N N 15 120.4980 . . . . . . A 64 VAL N . 19294 1 124 . 1 1 65 65 SER H H 1 8.2100 . . . . . . . 65 SER HN . 19294 1 125 . 1 1 65 65 SER N N 15 113.8180 . . . . . . A 65 SER N . 19294 1 126 . 1 1 66 66 GLN H H 1 7.4710 . . . . . . . 66 GLN HN . 19294 1 127 . 1 1 66 66 GLN N N 15 119.3040 . . . . . . A 66 GLN N . 19294 1 128 . 1 1 67 67 LEU H H 1 7.7240 . . . . . . . 67 LEU HN . 19294 1 129 . 1 1 67 67 LEU N N 15 118.9870 . . . . . . A 67 LEU N . 19294 1 130 . 1 1 68 68 TYR H H 1 7.5600 . . . . . . . 68 TYR HN . 19294 1 131 . 1 1 68 68 TYR N N 15 118.9180 . . . . . . A 68 TYR N . 19294 1 132 . 1 1 69 69 ASP H H 1 8.6110 . . . . . . . 69 ASP HN . 19294 1 133 . 1 1 69 69 ASP N N 15 119.0210 . . . . . . A 69 ASP N . 19294 1 134 . 1 1 70 70 HIS H H 1 8.2170 . . . . . . . 70 HIS HN . 19294 1 135 . 1 1 70 70 HIS N N 15 119.5660 . . . . . . . 70 HIS N . 19294 1 136 . 1 1 71 71 TRP H H 1 8.5100 . . . . . . . 71 TRP HN . 19294 1 137 . 1 1 71 71 TRP N N 15 122.0740 . . . . . . A 71 TRP N . 19294 1 138 . 1 1 73 73 GLY H H 1 7.9770 . . . . . . . 73 GLY HN . 19294 1 139 . 1 1 73 73 GLY N N 15 102.1710 . . . . . . A 73 GLY N . 19294 1 140 . 1 1 74 74 THR H H 1 7.1900 . . . . . . . 74 THR HN . 19294 1 141 . 1 1 74 74 THR N N 15 112.3060 . . . . . . A 74 THR N . 19294 1 142 . 1 1 75 75 LEU H H 1 7.7350 . . . . . . . 75 LEU HN . 19294 1 143 . 1 1 75 75 LEU N N 15 122.3190 . . . . . . A 75 LEU N . 19294 1 144 . 1 1 76 76 ARG H H 1 8.1880 . . . . . . . 76 ARG HN . 19294 1 145 . 1 1 76 76 ARG N N 15 116.9560 . . . . . . . 76 ARG N . 19294 1 146 . 1 1 80 80 ILE H H 1 7.8620 . . . . . . . 80 ILE HN . 19294 1 147 . 1 1 80 80 ILE N N 15 122.0690 . . . . . . A 80 ILE N . 19294 1 148 . 1 1 81 81 GLN H H 1 8.1610 . . . . . . . 81 GLN HN . 19294 1 149 . 1 1 81 81 GLN N N 15 122.5360 . . . . . . A 81 GLN N . 19294 1 150 . 1 1 83 83 GLN H H 1 8.3420 . . . . . . . 83 GLN HN . 19294 1 151 . 1 1 83 83 GLN N N 15 120.7320 . . . . . . A 83 GLN N . 19294 1 152 . 1 1 84 84 GLY H H 1 8.3100 . . . . . . . 84 GLY HN . 19294 1 153 . 1 1 84 84 GLY N N 15 109.3580 . . . . . . A 84 GLY N . 19294 1 154 . 1 1 85 85 TYR H H 1 8.0260 . . . . . . . 85 TYR HN . 19294 1 155 . 1 1 85 85 TYR N N 15 120.2750 . . . . . . A 85 TYR N . 19294 1 156 . 1 1 86 86 ARG H H 1 8.2170 . . . . . . . 86 ARG HN . 19294 1 157 . 1 1 86 86 ARG N N 15 123.5130 . . . . . . . 86 ARG N . 19294 1 158 . 1 1 87 87 GLY H H 1 7.7600 . . . . . . . 87 GLY HN . 19294 1 159 . 1 1 87 87 GLY N N 15 108.9520 . . . . . . A 87 GLY N . 19294 1 160 . 1 1 88 88 LYS H H 1 8.1930 . . . . . . . 88 LYS HN . 19294 1 161 . 1 1 88 88 LYS N N 15 120.7040 . . . . . . . 88 LYS N . 19294 1 162 . 1 1 89 89 ASN H H 1 8.4690 . . . . . . . 89 ASN HN . 19294 1 163 . 1 1 89 89 ASN N N 15 119.2950 . . . . . . A 89 ASN N . 19294 1 164 . 1 1 90 90 SER H H 1 8.1640 . . . . . . . 90 SER HN . 19294 1 165 . 1 1 90 90 SER N N 15 116.1720 . . . . . . A 90 SER N . 19294 1 166 . 1 1 91 91 VAL H H 1 8.0760 . . . . . . . 91 VAL HN . 19294 1 167 . 1 1 91 91 VAL N N 15 121.4040 . . . . . . A 91 VAL N . 19294 1 168 . 1 1 92 92 ALA H H 1 8.2240 . . . . . . . 92 ALA HN . 19294 1 169 . 1 1 92 92 ALA N N 15 127.0630 . . . . . . A 92 ALA N . 19294 1 170 . 1 1 93 93 ALA H H 1 8.1280 . . . . . . . 93 ALA HN . 19294 1 171 . 1 1 93 93 ALA N N 15 123.1460 . . . . . . A 93 ALA N . 19294 1 172 . 1 1 94 94 ARG H H 1 8.1780 . . . . . . . 94 ARG HN . 19294 1 173 . 1 1 94 94 ARG N N 15 120.0400 . . . . . . . 94 ARG N . 19294 1 174 . 1 1 95 95 SER H H 1 8.3250 . . . . . . . 95 SER HN . 19294 1 175 . 1 1 95 95 SER N N 15 118.5240 . . . . . . A 95 SER N . 19294 1 176 . 1 1 97 97 GLU H H 1 8.4810 . . . . . . . 97 GLU HN . 19294 1 177 . 1 1 97 97 GLU N N 15 120.8280 . . . . . . A 97 GLU N . 19294 1 178 . 1 1 98 98 LYS H H 1 8.2110 . . . . . . . 98 LYS HN . 19294 1 179 . 1 1 98 98 LYS N N 15 122.0840 . . . . . . . 98 LYS N . 19294 1 180 . 1 1 99 99 ALA H H 1 8.2800 . . . . . . . 99 ALA HN . 19294 1 181 . 1 1 99 99 ALA N N 15 125.3180 . . . . . . A 99 ALA N . 19294 1 182 . 1 1 100 100 SER H H 1 8.2620 . . . . . . . 100 SER HN . 19294 1 183 . 1 1 100 100 SER N N 15 114.8430 . . . . . . A 100 SER N . 19294 1 184 . 1 1 101 101 ASN H H 1 8.2600 . . . . . . . 101 ASN HN . 19294 1 185 . 1 1 101 101 ASN N N 15 120.1690 . . . . . . A 101 ASN N . 19294 1 186 . 1 1 102 102 MET H H 1 8.2620 . . . . . . . 102 MET HN . 19294 1 187 . 1 1 102 102 MET N N 15 120.3090 . . . . . . A 102 MET N . 19294 1 188 . 1 1 103 103 GLU H H 1 8.3450 . . . . . . . 103 GLU HN . 19294 1 189 . 1 1 103 103 GLU N N 15 121.1990 . . . . . . A 103 GLU N . 19294 1 190 . 1 1 104 104 ASN H H 1 8.3850 . . . . . . . 104 ASN HN . 19294 1 191 . 1 1 104 104 ASN N N 15 119.1390 . . . . . . A 104 ASN N . 19294 1 192 . 1 1 105 105 ASN H H 1 8.4000 . . . . . . . 105 ASN HN . 19294 1 193 . 1 1 105 105 ASN N N 15 119.6400 . . . . . . A 105 ASN N . 19294 1 194 . 1 1 106 106 GLU H H 1 7.9260 . . . . . . . 106 GLU HN . 19294 1 195 . 1 1 106 106 GLU N N 15 125.7410 . . . . . . A 106 GLU N . 19294 1 stop_ save_