data_4711 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4711 _Entry.Title ; NMR backbone assignments of the cold-regulated RNA-binding protein, RbpA1, in the cyanobacterium, Anabaena variabilis M3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-10 _Entry.Accession_date 2000-04-17 _Entry.Last_release_date 2000-09-25 _Entry.Original_release_date 2000-09-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hayato Morita . Eugene . 4711 2 Toshihide Murakami . . . 4711 3 Koichi Uegaki . . . 4711 4 Toshio Yamazaki . . . 4711 5 Naoki Sato . . . 4711 6 Yoshimasa Kyogoku . . . 4711 7 Hidenori Hayashi . . . 4711 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4711 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 101 4711 '15N chemical shifts' 96 4711 '1H chemical shifts' 96 4711 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 . . 2000-09-25 2000-04-10 original author . 4711 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4711 _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 ; Letter to the Editor: NMR backbone assignments of the cold-regulated RNA-binding protein, RbpA1, in the cyanobacterium, Anabaena variabilis M3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 4 _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 351 _Citation.Page_last 352 _Citation.Year 2000 _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 Eugene Morita . H. . 4711 1 2 Toshihide Murakami . . . 4711 1 3 Koichi Uegaki . . . 4711 1 4 Toshio Yamazaki . . . 4711 1 5 Naoki Sato . . . 4711 1 6 Yoshimasa Kyogoku . . . 4711 1 7 Hidenori Hayashi . . . 4711 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cold-regulation 4711 1 'NMR backbone assignments' 4711 1 RbpA1 4711 1 'RNA-binding protein' 4711 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RbpA1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RbpA1 _Assembly.Entry_ID 4711 _Assembly.ID 1 _Assembly.Name 'RNA-binding protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10962.9 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4711 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA-binding protein' 1 $RbpA1 . . . native . . . . . 4711 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RbpA1 abbreviation 4711 1 'RNA-binding protein' system 4711 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RbpA1 _Entity.Sf_category entity _Entity.Sf_framecode RbpA1 _Entity.Entry_ID 4711 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA-binding protein' _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 ; SIYVGNLSYEVTQDTLSAVF AEYGTVKRVQLPTDRETGQP RGFGFVEMGSEAEEAAAIEA LDGAEWMGRDLKVNKAKPRE DRGPSGGNRGGYGGGGGRNR Y ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 DBJ BAA04563 . "RNA-binding protein [Anabaena variabilis]" . . . . . 100.00 102 100.00 100.00 1.35e-64 . . . . 4711 1 2 no DBJ BAB72698 . "RNA-binding protein [Nostoc sp. PCC 7120]" . . . . . 100.00 102 100.00 100.00 1.35e-64 . . . . 4711 1 3 no GB ABA24239 . "RNA-binding region RNP-1 [Anabaena variabilis ATCC 29413]" . . . . . 100.00 102 100.00 100.00 1.35e-64 . . . . 4711 1 4 no REF WP_010994915 . "RNA-binding protein [Nostoc sp. PCC 7120]" . . . . . 100.00 102 100.00 100.00 1.35e-64 . . . . 4711 1 5 no SP Q44560 . "RecName: Full=Putative RNA-binding protein RbpA" . . . . . 100.00 102 100.00 100.00 1.35e-64 . . . . 4711 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RbpA1 abbreviation 4711 1 'RNA-binding protein' common 4711 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 . SER . 4711 1 2 . ILE . 4711 1 3 . TYR . 4711 1 4 . VAL . 4711 1 5 . GLY . 4711 1 6 . ASN . 4711 1 7 . LEU . 4711 1 8 . SER . 4711 1 9 . TYR . 4711 1 10 . GLU . 4711 1 11 . VAL . 4711 1 12 . THR . 4711 1 13 . GLN . 4711 1 14 . ASP . 4711 1 15 . THR . 4711 1 16 . LEU . 4711 1 17 . SER . 4711 1 18 . ALA . 4711 1 19 . VAL . 4711 1 20 . PHE . 4711 1 21 . ALA . 4711 1 22 . GLU . 4711 1 23 . TYR . 4711 1 24 . GLY . 4711 1 25 . THR . 4711 1 26 . VAL . 4711 1 27 . LYS . 4711 1 28 . ARG . 4711 1 29 . VAL . 4711 1 30 . GLN . 4711 1 31 . LEU . 4711 1 32 . PRO . 4711 1 33 . THR . 4711 1 34 . ASP . 4711 1 35 . ARG . 4711 1 36 . GLU . 4711 1 37 . THR . 4711 1 38 . GLY . 4711 1 39 . GLN . 4711 1 40 . PRO . 4711 1 41 . ARG . 4711 1 42 . GLY . 4711 1 43 . PHE . 4711 1 44 . GLY . 4711 1 45 . PHE . 4711 1 46 . VAL . 4711 1 47 . GLU . 4711 1 48 . MET . 4711 1 49 . GLY . 4711 1 50 . SER . 4711 1 51 . GLU . 4711 1 52 . ALA . 4711 1 53 . GLU . 4711 1 54 . GLU . 4711 1 55 . ALA . 4711 1 56 . ALA . 4711 1 57 . ALA . 4711 1 58 . ILE . 4711 1 59 . GLU . 4711 1 60 . ALA . 4711 1 61 . LEU . 4711 1 62 . ASP . 4711 1 63 . GLY . 4711 1 64 . ALA . 4711 1 65 . GLU . 4711 1 66 . TRP . 4711 1 67 . MET . 4711 1 68 . GLY . 4711 1 69 . ARG . 4711 1 70 . ASP . 4711 1 71 . LEU . 4711 1 72 . LYS . 4711 1 73 . VAL . 4711 1 74 . ASN . 4711 1 75 . LYS . 4711 1 76 . ALA . 4711 1 77 . LYS . 4711 1 78 . PRO . 4711 1 79 . ARG . 4711 1 80 . GLU . 4711 1 81 . ASP . 4711 1 82 . ARG . 4711 1 83 . GLY . 4711 1 84 . PRO . 4711 1 85 . SER . 4711 1 86 . GLY . 4711 1 87 . GLY . 4711 1 88 . ASN . 4711 1 89 . ARG . 4711 1 90 . GLY . 4711 1 91 . GLY . 4711 1 92 . TYR . 4711 1 93 . GLY . 4711 1 94 . GLY . 4711 1 95 . GLY . 4711 1 96 . GLY . 4711 1 97 . GLY . 4711 1 98 . ARG . 4711 1 99 . ASN . 4711 1 100 . ARG . 4711 1 101 . TYR . 4711 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 . SER 1 1 4711 1 . ILE 2 2 4711 1 . TYR 3 3 4711 1 . VAL 4 4 4711 1 . GLY 5 5 4711 1 . ASN 6 6 4711 1 . LEU 7 7 4711 1 . SER 8 8 4711 1 . TYR 9 9 4711 1 . GLU 10 10 4711 1 . VAL 11 11 4711 1 . THR 12 12 4711 1 . GLN 13 13 4711 1 . ASP 14 14 4711 1 . THR 15 15 4711 1 . LEU 16 16 4711 1 . SER 17 17 4711 1 . ALA 18 18 4711 1 . VAL 19 19 4711 1 . PHE 20 20 4711 1 . ALA 21 21 4711 1 . GLU 22 22 4711 1 . TYR 23 23 4711 1 . GLY 24 24 4711 1 . THR 25 25 4711 1 . VAL 26 26 4711 1 . LYS 27 27 4711 1 . ARG 28 28 4711 1 . VAL 29 29 4711 1 . GLN 30 30 4711 1 . LEU 31 31 4711 1 . PRO 32 32 4711 1 . THR 33 33 4711 1 . ASP 34 34 4711 1 . ARG 35 35 4711 1 . GLU 36 36 4711 1 . THR 37 37 4711 1 . GLY 38 38 4711 1 . GLN 39 39 4711 1 . PRO 40 40 4711 1 . ARG 41 41 4711 1 . GLY 42 42 4711 1 . PHE 43 43 4711 1 . GLY 44 44 4711 1 . PHE 45 45 4711 1 . VAL 46 46 4711 1 . GLU 47 47 4711 1 . MET 48 48 4711 1 . GLY 49 49 4711 1 . SER 50 50 4711 1 . GLU 51 51 4711 1 . ALA 52 52 4711 1 . GLU 53 53 4711 1 . GLU 54 54 4711 1 . ALA 55 55 4711 1 . ALA 56 56 4711 1 . ALA 57 57 4711 1 . ILE 58 58 4711 1 . GLU 59 59 4711 1 . ALA 60 60 4711 1 . LEU 61 61 4711 1 . ASP 62 62 4711 1 . GLY 63 63 4711 1 . ALA 64 64 4711 1 . GLU 65 65 4711 1 . TRP 66 66 4711 1 . MET 67 67 4711 1 . GLY 68 68 4711 1 . ARG 69 69 4711 1 . ASP 70 70 4711 1 . LEU 71 71 4711 1 . LYS 72 72 4711 1 . VAL 73 73 4711 1 . ASN 74 74 4711 1 . LYS 75 75 4711 1 . ALA 76 76 4711 1 . LYS 77 77 4711 1 . PRO 78 78 4711 1 . ARG 79 79 4711 1 . GLU 80 80 4711 1 . ASP 81 81 4711 1 . ARG 82 82 4711 1 . GLY 83 83 4711 1 . PRO 84 84 4711 1 . SER 85 85 4711 1 . GLY 86 86 4711 1 . GLY 87 87 4711 1 . ASN 88 88 4711 1 . ARG 89 89 4711 1 . GLY 90 90 4711 1 . GLY 91 91 4711 1 . TYR 92 92 4711 1 . GLY 93 93 4711 1 . GLY 94 94 4711 1 . GLY 95 95 4711 1 . GLY 96 96 4711 1 . GLY 97 97 4711 1 . ARG 98 98 4711 1 . ASN 99 99 4711 1 . ARG 100 100 4711 1 . TYR 101 101 4711 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 4711 _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 $RbpA1 . 1172 . . 'Anabaena variabilis' 'Anabaena variabilis M3' . . Eubacteria . Anabaena variabilis . . . . . . . . . . . . . . . . . . . . . 4711 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 4711 _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 $RbpA1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . peT-21b . . . 'Anabaena variabilis M3' . . 4711 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4711 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA-binding protein' '[U-13C; U-15N]' . . 1 $RbpA1 . . 0.5 . . mM . . . . 4711 1 2 H2O . . . . . . . 90 . . % . . . . 4711 1 3 D2O . . . . . . . 10 . . % . . . . 4711 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4711 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.05 n/a 4711 1 temperature 303 0.1 K 4711 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4711 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_1 1 $RbpA1 95 % 'SDS gel electrophoresis' . 4711 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR-PIPE _Software.Sf_category software _Software.Sf_framecode NMR-PIPE _Software.Entry_ID 4711 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 4711 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking and assignments' 4711 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4711 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4711 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 500 . . . 4711 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 4711 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4711 1 2 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4711 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4711 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4711 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N_HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4711 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4711 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4711 _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 0.0 internal indirect 0.2514495 . . . . . . . . . 4711 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4711 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.1013291 . . . . . . . . . 4711 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_chemical_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 4711 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 $sample_1 . 4711 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 SER CA C 13 57.16 0.35 . 1 . . . . . . . . 4711 1 2 . 1 1 2 2 ILE H H 1 9.44 0.04 . 1 . . . . . . . . 4711 1 3 . 1 1 2 2 ILE CA C 13 60.97 0.35 . 1 . . . . . . . . 4711 1 4 . 1 1 2 2 ILE N N 15 125.25 0.05 . 1 . . . . . . . . 4711 1 5 . 1 1 3 3 TYR H H 1 9.29 0.04 . 1 . . . . . . . . 4711 1 6 . 1 1 3 3 TYR CA C 13 57.66 0.35 . 1 . . . . . . . . 4711 1 7 . 1 1 3 3 TYR N N 15 128.32 0.05 . 1 . . . . . . . . 4711 1 8 . 1 1 4 4 VAL H H 1 8.07 0.04 . 1 . . . . . . . . 4711 1 9 . 1 1 4 4 VAL CA C 13 59.12 0.35 . 1 . . . . . . . . 4711 1 10 . 1 1 4 4 VAL N N 15 127.09 0.05 . 1 . . . . . . . . 4711 1 11 . 1 1 5 5 GLY H H 1 9.61 0.04 . 1 . . . . . . . . 4711 1 12 . 1 1 5 5 GLY CA C 13 43.14 0.35 . 1 . . . . . . . . 4711 1 13 . 1 1 5 5 GLY N N 15 113.20 0.05 . 1 . . . . . . . . 4711 1 14 . 1 1 6 6 ASN H H 1 8.36 0.04 . 1 . . . . . . . . 4711 1 15 . 1 1 6 6 ASN CA C 13 53.31 0.35 . 1 . . . . . . . . 4711 1 16 . 1 1 6 6 ASN N N 15 114.16 0.05 . 1 . . . . . . . . 4711 1 17 . 1 1 7 7 LEU H H 1 7.66 0.04 . 1 . . . . . . . . 4711 1 18 . 1 1 7 7 LEU CA C 13 53.62 0.35 . 1 . . . . . . . . 4711 1 19 . 1 1 7 7 LEU N N 15 114.47 0.05 . 1 . . . . . . . . 4711 1 20 . 1 1 8 8 SER H H 1 8.23 0.04 . 1 . . . . . . . . 4711 1 21 . 1 1 8 8 SER CA C 13 57.26 0.35 . 1 . . . . . . . . 4711 1 22 . 1 1 8 8 SER N N 15 115.88 0.05 . 1 . . . . . . . . 4711 1 23 . 1 1 9 9 TYR H H 1 8.20 0.04 . 1 . . . . . . . . 4711 1 24 . 1 1 9 9 TYR CA C 13 59.12 0.35 . 1 . . . . . . . . 4711 1 25 . 1 1 9 9 TYR N N 15 123.43 0.05 . 1 . . . . . . . . 4711 1 26 . 1 1 10 10 GLU H H 1 8.13 0.04 . 1 . . . . . . . . 4711 1 27 . 1 1 10 10 GLU CA C 13 56.55 0.35 . 1 . . . . . . . . 4711 1 28 . 1 1 10 10 GLU N N 15 116.79 0.05 . 1 . . . . . . . . 4711 1 29 . 1 1 11 11 VAL H H 1 7.14 0.04 . 1 . . . . . . . . 4711 1 30 . 1 1 11 11 VAL CA C 13 64.11 0.35 . 1 . . . . . . . . 4711 1 31 . 1 1 11 11 VAL N N 15 120.68 0.05 . 1 . . . . . . . . 4711 1 32 . 1 1 12 12 THR H H 1 7.34 0.04 . 1 . . . . . . . . 4711 1 33 . 1 1 12 12 THR CA C 13 58.86 0.35 . 1 . . . . . . . . 4711 1 34 . 1 1 12 12 THR N N 15 114.37 0.05 . 1 . . . . . . . . 4711 1 35 . 1 1 13 13 GLN H H 1 9.28 0.04 . 1 . . . . . . . . 4711 1 36 . 1 1 13 13 GLN CA C 13 58.85 0.35 . 1 . . . . . . . . 4711 1 37 . 1 1 13 13 GLN N N 15 120.43 0.05 . 1 . . . . . . . . 4711 1 38 . 1 1 14 14 ASP H H 1 8.41 0.04 . 1 . . . . . . . . 4711 1 39 . 1 1 14 14 ASP CA C 13 60.37 0.35 . 1 . . . . . . . . 4711 1 40 . 1 1 14 14 ASP N N 15 117.67 0.05 . 1 . . . . . . . . 4711 1 41 . 1 1 15 15 THR H H 1 7.87 0.04 . 1 . . . . . . . . 4711 1 42 . 1 1 15 15 THR CA C 13 64.96 0.35 . 1 . . . . . . . . 4711 1 43 . 1 1 15 15 THR N N 15 113.86 0.05 . 1 . . . . . . . . 4711 1 44 . 1 1 16 16 LEU H H 1 8.31 0.04 . 1 . . . . . . . . 4711 1 45 . 1 1 16 16 LEU CA C 13 57.66 0.35 . 1 . . . . . . . . 4711 1 46 . 1 1 16 16 LEU N N 15 123.05 0.05 . 1 . . . . . . . . 4711 1 47 . 1 1 17 17 SER H H 1 8.19 0.04 . 1 . . . . . . . . 4711 1 48 . 1 1 17 17 SER CA C 13 62.59 0.35 . 1 . . . . . . . . 4711 1 49 . 1 1 17 17 SER N N 15 112.35 0.05 . 1 . . . . . . . . 4711 1 50 . 1 1 18 18 ALA H H 1 7.30 0.04 . 1 . . . . . . . . 4711 1 51 . 1 1 18 18 ALA CA C 13 54.90 0.35 . 1 . . . . . . . . 4711 1 52 . 1 1 18 18 ALA N N 15 119.58 0.05 . 1 . . . . . . . . 4711 1 53 . 1 1 19 19 VAL H H 1 7.24 0.04 . 1 . . . . . . . . 4711 1 54 . 1 1 19 19 VAL CA C 13 65.36 0.35 . 1 . . . . . . . . 4711 1 55 . 1 1 19 19 VAL N N 15 117.64 0.05 . 1 . . . . . . . . 4711 1 56 . 1 1 20 20 PHE H H 1 7.14 0.04 . 1 . . . . . . . . 4711 1 57 . 1 1 20 20 PHE CA C 13 62.13 0.35 . 1 . . . . . . . . 4711 1 58 . 1 1 20 20 PHE N N 15 117.09 0.05 . 1 . . . . . . . . 4711 1 59 . 1 1 21 21 ALA H H 1 8.32 0.04 . 1 . . . . . . . . 4711 1 60 . 1 1 21 21 ALA CA C 13 53.66 0.35 . 1 . . . . . . . . 4711 1 61 . 1 1 21 21 ALA N N 15 121.92 0.05 . 1 . . . . . . . . 4711 1 62 . 1 1 22 22 GLU H H 1 6.65 0.04 . 1 . . . . . . . . 4711 1 63 . 1 1 22 22 GLU CA C 13 57.54 0.35 . 1 . . . . . . . . 4711 1 64 . 1 1 22 22 GLU N N 15 114.98 0.05 . 1 . . . . . . . . 4711 1 65 . 1 1 23 23 TYR H H 1 7.78 0.04 . 1 . . . . . . . . 4711 1 66 . 1 1 23 23 TYR CA C 13 58.34 0.35 . 1 . . . . . . . . 4711 1 67 . 1 1 23 23 TYR N N 15 115.17 0.05 . 1 . . . . . . . . 4711 1 68 . 1 1 24 24 GLY H H 1 7.11 0.04 . 1 . . . . . . . . 4711 1 69 . 1 1 24 24 GLY CA C 13 44.66 0.35 . 1 . . . . . . . . 4711 1 70 . 1 1 24 24 GLY N N 15 105.96 0.05 . 1 . . . . . . . . 4711 1 71 . 1 1 25 25 THR H H 1 8.89 0.04 . 1 . . . . . . . . 4711 1 72 . 1 1 25 25 THR CA C 13 62.55 0.35 . 1 . . . . . . . . 4711 1 73 . 1 1 25 25 THR N N 15 118.36 0.05 . 1 . . . . . . . . 4711 1 74 . 1 1 26 26 VAL H H 1 8.75 0.04 . 1 . . . . . . . . 4711 1 75 . 1 1 26 26 VAL CA C 13 62.70 0.35 . 1 . . . . . . . . 4711 1 76 . 1 1 26 26 VAL N N 15 127.39 0.05 . 1 . . . . . . . . 4711 1 77 . 1 1 27 27 LYS H H 1 9.03 0.04 . 1 . . . . . . . . 4711 1 78 . 1 1 27 27 LYS CA C 13 56.96 0.35 . 1 . . . . . . . . 4711 1 79 . 1 1 27 27 LYS N N 15 129.04 0.05 . 1 . . . . . . . . 4711 1 80 . 1 1 28 28 ARG H H 1 7.60 0.04 . 1 . . . . . . . . 4711 1 81 . 1 1 28 28 ARG CA C 13 56.39 0.35 . 1 . . . . . . . . 4711 1 82 . 1 1 28 28 ARG N N 15 116.57 0.05 . 1 . . . . . . . . 4711 1 83 . 1 1 29 29 VAL H H 1 8.44 0.04 . 1 . . . . . . . . 4711 1 84 . 1 1 29 29 VAL CA C 13 60.90 0.35 . 1 . . . . . . . . 4711 1 85 . 1 1 29 29 VAL N N 15 122.68 0.05 . 1 . . . . . . . . 4711 1 86 . 1 1 30 30 GLN H H 1 9.11 0.04 . 1 . . . . . . . . 4711 1 87 . 1 1 30 30 GLN CA C 13 54.77 0.35 . 1 . . . . . . . . 4711 1 88 . 1 1 30 30 GLN N N 15 125.35 0.05 . 1 . . . . . . . . 4711 1 89 . 1 1 31 31 LEU H H 1 8.80 0.04 . 1 . . . . . . . . 4711 1 90 . 1 1 31 31 LEU CA C 13 54.82 0.35 . 1 . . . . . . . . 4711 1 91 . 1 1 31 31 LEU N N 15 126.66 0.05 . 1 . . . . . . . . 4711 1 92 . 1 1 32 32 PRO CA C 13 63.20 0.35 . 1 . . . . . . . . 4711 1 93 . 1 1 33 33 THR H H 1 8.28 0.04 . 1 . . . . . . . . 4711 1 94 . 1 1 33 33 THR CA C 13 59.45 0.35 . 1 . . . . . . . . 4711 1 95 . 1 1 33 33 THR N N 15 112.53 0.05 . 1 . . . . . . . . 4711 1 96 . 1 1 34 34 ASP H H 1 8.72 0.04 . 1 . . . . . . . . 4711 1 97 . 1 1 34 34 ASP CA C 13 54.32 0.35 . 1 . . . . . . . . 4711 1 98 . 1 1 34 34 ASP N N 15 123.58 0.05 . 1 . . . . . . . . 4711 1 99 . 1 1 35 35 ARG H H 1 8.94 0.04 . 1 . . . . . . . . 4711 1 100 . 1 1 35 35 ARG CA C 13 58.80 0.35 . 1 . . . . . . . . 4711 1 101 . 1 1 35 35 ARG N N 15 127.97 0.05 . 1 . . . . . . . . 4711 1 102 . 1 1 36 36 GLU H H 1 8.56 0.04 . 1 . . . . . . . . 4711 1 103 . 1 1 36 36 GLU CA C 13 58.56 0.35 . 1 . . . . . . . . 4711 1 104 . 1 1 36 36 GLU N N 15 117.60 0.05 . 1 . . . . . . . . 4711 1 105 . 1 1 37 37 THR H H 1 8.16 0.04 . 1 . . . . . . . . 4711 1 106 . 1 1 37 37 THR CA C 13 61.87 0.35 . 1 . . . . . . . . 4711 1 107 . 1 1 37 37 THR N N 15 107.13 0.05 . 1 . . . . . . . . 4711 1 108 . 1 1 38 38 GLY H H 1 8.35 0.04 . 1 . . . . . . . . 4711 1 109 . 1 1 38 38 GLY CA C 13 45.65 0.35 . 1 . . . . . . . . 4711 1 110 . 1 1 38 38 GLY N N 15 111.28 0.05 . 1 . . . . . . . . 4711 1 111 . 1 1 39 39 GLN H H 1 7.74 0.04 . 1 . . . . . . . . 4711 1 112 . 1 1 39 39 GLN CA C 13 53.90 0.35 . 1 . . . . . . . . 4711 1 113 . 1 1 39 39 GLN N N 15 119.32 0.05 . 1 . . . . . . . . 4711 1 114 . 1 1 40 40 PRO CA C 13 63.50 0.35 . 1 . . . . . . . . 4711 1 115 . 1 1 41 41 ARG H H 1 7.86 0.04 . 1 . . . . . . . . 4711 1 116 . 1 1 41 41 ARG CA C 13 56.72 0.35 . 1 . . . . . . . . 4711 1 117 . 1 1 41 41 ARG N N 15 118.00 0.05 . 1 . . . . . . . . 4711 1 118 . 1 1 42 42 GLY H H 1 8.14 0.04 . 1 . . . . . . . . 4711 1 119 . 1 1 42 42 GLY CA C 13 45.78 0.35 . 1 . . . . . . . . 4711 1 120 . 1 1 42 42 GLY N N 15 106.50 0.05 . 1 . . . . . . . . 4711 1 121 . 1 1 43 43 PHE H H 1 6.85 0.04 . 1 . . . . . . . . 4711 1 122 . 1 1 43 43 PHE CA C 13 54.69 0.35 . 1 . . . . . . . . 4711 1 123 . 1 1 43 43 PHE N N 15 114.28 0.05 . 1 . . . . . . . . 4711 1 124 . 1 1 44 44 GLY H H 1 9.03 0.04 . 1 . . . . . . . . 4711 1 125 . 1 1 44 44 GLY CA C 13 44.88 0.35 . 1 . . . . . . . . 4711 1 126 . 1 1 44 44 GLY N N 15 107.12 0.05 . 1 . . . . . . . . 4711 1 127 . 1 1 45 45 PHE H H 1 8.66 0.04 . 1 . . . . . . . . 4711 1 128 . 1 1 45 45 PHE CA C 13 55.77 0.35 . 1 . . . . . . . . 4711 1 129 . 1 1 45 45 PHE N N 15 114.16 0.05 . 1 . . . . . . . . 4711 1 130 . 1 1 46 46 VAL H H 1 9.06 0.04 . 1 . . . . . . . . 4711 1 131 . 1 1 46 46 VAL CA C 13 60.79 0.35 . 1 . . . . . . . . 4711 1 132 . 1 1 46 46 VAL N N 15 122.19 0.05 . 1 . . . . . . . . 4711 1 133 . 1 1 47 47 GLU H H 1 8.73 0.04 . 1 . . . . . . . . 4711 1 134 . 1 1 47 47 GLU CA C 13 54.37 0.35 . 1 . . . . . . . . 4711 1 135 . 1 1 47 47 GLU N N 15 126.82 0.05 . 1 . . . . . . . . 4711 1 136 . 1 1 48 48 MET H H 1 9.36 0.04 . 1 . . . . . . . . 4711 1 137 . 1 1 48 48 MET CA C 13 53.59 0.35 . 1 . . . . . . . . 4711 1 138 . 1 1 48 48 MET N N 15 123.49 0.05 . 1 . . . . . . . . 4711 1 139 . 1 1 49 49 GLY H H 1 8.54 0.04 . 1 . . . . . . . . 4711 1 140 . 1 1 49 49 GLY CA C 13 47.02 0.35 . 1 . . . . . . . . 4711 1 141 . 1 1 49 49 GLY N N 15 107.40 0.05 . 1 . . . . . . . . 4711 1 142 . 1 1 50 50 SER H H 1 7.36 0.04 . 1 . . . . . . . . 4711 1 143 . 1 1 50 50 SER CA C 13 56.56 0.35 . 1 . . . . . . . . 4711 1 144 . 1 1 50 50 SER N N 15 110.03 0.05 . 1 . . . . . . . . 4711 1 145 . 1 1 51 51 GLU H H 1 9.06 0.04 . 1 . . . . . . . . 4711 1 146 . 1 1 51 51 GLU CA C 13 59.51 0.35 . 1 . . . . . . . . 4711 1 147 . 1 1 51 51 GLU N N 15 121.65 0.05 . 1 . . . . . . . . 4711 1 148 . 1 1 52 52 ALA H H 1 8.34 0.04 . 1 . . . . . . . . 4711 1 149 . 1 1 52 52 ALA CA C 13 55.10 0.35 . 1 . . . . . . . . 4711 1 150 . 1 1 52 52 ALA N N 15 122.86 0.05 . 1 . . . . . . . . 4711 1 151 . 1 1 53 53 GLU H H 1 7.68 0.04 . 1 . . . . . . . . 4711 1 152 . 1 1 53 53 GLU CA C 13 59.38 0.35 . 1 . . . . . . . . 4711 1 153 . 1 1 53 53 GLU N N 15 120.20 0.05 . 1 . . . . . . . . 4711 1 154 . 1 1 54 54 GLU H H 1 7.60 0.04 . 1 . . . . . . . . 4711 1 155 . 1 1 54 54 GLU CA C 13 60.25 0.35 . 1 . . . . . . . . 4711 1 156 . 1 1 54 54 GLU N N 15 116.46 0.05 . 1 . . . . . . . . 4711 1 157 . 1 1 55 55 ALA H H 1 8.30 0.04 . 1 . . . . . . . . 4711 1 158 . 1 1 55 55 ALA CA C 13 55.13 0.35 . 1 . . . . . . . . 4711 1 159 . 1 1 55 55 ALA N N 15 120.06 0.05 . 1 . . . . . . . . 4711 1 160 . 1 1 56 56 ALA H H 1 7.71 0.04 . 1 . . . . . . . . 4711 1 161 . 1 1 56 56 ALA CA C 13 54.85 0.35 . 1 . . . . . . . . 4711 1 162 . 1 1 56 56 ALA N N 15 120.71 0.05 . 1 . . . . . . . . 4711 1 163 . 1 1 57 57 ALA H H 1 8.00 0.04 . 1 . . . . . . . . 4711 1 164 . 1 1 57 57 ALA CA C 13 54.81 0.35 . 1 . . . . . . . . 4711 1 165 . 1 1 57 57 ALA N N 15 121.63 0.05 . 1 . . . . . . . . 4711 1 166 . 1 1 58 58 ILE H H 1 8.26 0.04 . 1 . . . . . . . . 4711 1 167 . 1 1 58 58 ILE CA C 13 65.84 0.35 . 1 . . . . . . . . 4711 1 168 . 1 1 58 58 ILE N N 15 117.51 0.05 . 1 . . . . . . . . 4711 1 169 . 1 1 59 59 GLU H H 1 7.56 0.04 . 1 . . . . . . . . 4711 1 170 . 1 1 59 59 GLU CA C 13 58.73 0.35 . 1 . . . . . . . . 4711 1 171 . 1 1 59 59 GLU N N 15 116.46 0.05 . 1 . . . . . . . . 4711 1 172 . 1 1 60 60 ALA H H 1 7.31 0.04 . 1 . . . . . . . . 4711 1 173 . 1 1 60 60 ALA CA C 13 54.21 0.35 . 1 . . . . . . . . 4711 1 174 . 1 1 60 60 ALA N N 15 118.03 0.05 . 1 . . . . . . . . 4711 1 175 . 1 1 61 61 LEU H H 1 7.85 0.04 . 1 . . . . . . . . 4711 1 176 . 1 1 61 61 LEU CA C 13 55.28 0.35 . 1 . . . . . . . . 4711 1 177 . 1 1 61 61 LEU N N 15 115.16 0.05 . 1 . . . . . . . . 4711 1 178 . 1 1 62 62 ASP H H 1 7.67 0.04 . 1 . . . . . . . . 4711 1 179 . 1 1 62 62 ASP CA C 13 58.13 0.35 . 1 . . . . . . . . 4711 1 180 . 1 1 62 62 ASP N N 15 118.14 0.05 . 1 . . . . . . . . 4711 1 181 . 1 1 63 63 GLY H H 1 8.75 0.04 . 1 . . . . . . . . 4711 1 182 . 1 1 63 63 GLY CA C 13 45.71 0.35 . 1 . . . . . . . . 4711 1 183 . 1 1 63 63 GLY N N 15 117.80 0.05 . 1 . . . . . . . . 4711 1 184 . 1 1 64 64 ALA H H 1 8.12 0.04 . 1 . . . . . . . . 4711 1 185 . 1 1 64 64 ALA CA C 13 51.81 0.35 . 1 . . . . . . . . 4711 1 186 . 1 1 64 64 ALA N N 15 124.47 0.05 . 1 . . . . . . . . 4711 1 187 . 1 1 65 65 GLU H H 1 8.28 0.04 . 1 . . . . . . . . 4711 1 188 . 1 1 65 65 GLU CA C 13 56.15 0.35 . 1 . . . . . . . . 4711 1 189 . 1 1 65 65 GLU N N 15 121.80 0.05 . 1 . . . . . . . . 4711 1 190 . 1 1 66 66 TRP H H 1 9.30 0.04 . 1 . . . . . . . . 4711 1 191 . 1 1 66 66 TRP CA C 13 58.55 0.35 . 1 . . . . . . . . 4711 1 192 . 1 1 66 66 TRP N N 15 128.42 0.05 . 1 . . . . . . . . 4711 1 193 . 1 1 67 67 MET H H 1 8.85 0.04 . 1 . . . . . . . . 4711 1 194 . 1 1 67 67 MET CA C 13 56.32 0.35 . 1 . . . . . . . . 4711 1 195 . 1 1 67 67 MET N N 15 124.91 0.05 . 1 . . . . . . . . 4711 1 196 . 1 1 68 68 GLY H H 1 8.72 0.04 . 1 . . . . . . . . 4711 1 197 . 1 1 68 68 GLY CA C 13 45.57 0.35 . 1 . . . . . . . . 4711 1 198 . 1 1 68 68 GLY N N 15 103.62 0.05 . 1 . . . . . . . . 4711 1 199 . 1 1 69 69 ARG H H 1 7.50 0.04 . 1 . . . . . . . . 4711 1 200 . 1 1 69 69 ARG CA C 13 54.02 0.35 . 1 . . . . . . . . 4711 1 201 . 1 1 69 69 ARG N N 15 119.33 0.05 . 1 . . . . . . . . 4711 1 202 . 1 1 70 70 ASP H H 1 8.39 0.04 . 1 . . . . . . . . 4711 1 203 . 1 1 70 70 ASP CA C 13 53.34 0.35 . 1 . . . . . . . . 4711 1 204 . 1 1 70 70 ASP N N 15 119.85 0.05 . 1 . . . . . . . . 4711 1 205 . 1 1 71 71 LEU H H 1 9.19 0.04 . 1 . . . . . . . . 4711 1 206 . 1 1 71 71 LEU CA C 13 55.95 0.35 . 1 . . . . . . . . 4711 1 207 . 1 1 71 71 LEU N N 15 126.79 0.05 . 1 . . . . . . . . 4711 1 208 . 1 1 72 72 LYS H H 1 7.55 0.04 . 1 . . . . . . . . 4711 1 209 . 1 1 72 72 LYS CA C 13 54.36 0.35 . 1 . . . . . . . . 4711 1 210 . 1 1 72 72 LYS N N 15 123.90 0.05 . 1 . . . . . . . . 4711 1 211 . 1 1 73 73 VAL H H 1 9.27 0.04 . 1 . . . . . . . . 4711 1 212 . 1 1 73 73 VAL CA C 13 60.81 0.35 . 1 . . . . . . . . 4711 1 213 . 1 1 73 73 VAL N N 15 126.17 0.05 . 1 . . . . . . . . 4711 1 214 . 1 1 74 74 ASN H H 1 9.05 0.04 . 1 . . . . . . . . 4711 1 215 . 1 1 74 74 ASN CA C 13 52.15 0.35 . 1 . . . . . . . . 4711 1 216 . 1 1 74 74 ASN N N 15 120.17 0.05 . 1 . . . . . . . . 4711 1 217 . 1 1 75 75 LYS H H 1 8.91 0.04 . 1 . . . . . . . . 4711 1 218 . 1 1 75 75 LYS CA C 13 57.17 0.35 . 1 . . . . . . . . 4711 1 219 . 1 1 75 75 LYS N N 15 122.10 0.05 . 1 . . . . . . . . 4711 1 220 . 1 1 76 76 ALA H H 1 8.64 0.04 . 1 . . . . . . . . 4711 1 221 . 1 1 76 76 ALA CA C 13 52.07 0.35 . 1 . . . . . . . . 4711 1 222 . 1 1 76 76 ALA N N 15 129.40 0.05 . 1 . . . . . . . . 4711 1 223 . 1 1 77 77 LYS H H 1 8.56 0.04 . 1 . . . . . . . . 4711 1 224 . 1 1 77 77 LYS CA C 13 54.34 0.35 . 1 . . . . . . . . 4711 1 225 . 1 1 77 77 LYS N N 15 123.38 0.05 . 1 . . . . . . . . 4711 1 226 . 1 1 78 78 PRO CA C 13 63.23 0.35 . 1 . . . . . . . . 4711 1 227 . 1 1 79 79 ARG H H 1 8.33 0.04 . 1 . . . . . . . . 4711 1 228 . 1 1 79 79 ARG CA C 13 56.46 0.35 . 1 . . . . . . . . 4711 1 229 . 1 1 79 79 ARG N N 15 120.96 0.05 . 1 . . . . . . . . 4711 1 230 . 1 1 80 80 GLU H H 1 8.40 0.04 . 1 . . . . . . . . 4711 1 231 . 1 1 80 80 GLU CA C 13 56.56 0.35 . 1 . . . . . . . . 4711 1 232 . 1 1 80 80 GLU N N 15 122.09 0.05 . 1 . . . . . . . . 4711 1 233 . 1 1 81 81 ASP H H 1 8.32 0.04 . 1 . . . . . . . . 4711 1 234 . 1 1 81 81 ASP CA C 13 54.08 0.35 . 1 . . . . . . . . 4711 1 235 . 1 1 81 81 ASP N N 15 121.68 0.05 . 1 . . . . . . . . 4711 1 236 . 1 1 82 82 ARG H H 1 8.18 0.04 . 1 . . . . . . . . 4711 1 237 . 1 1 82 82 ARG CA C 13 55.95 0.35 . 1 . . . . . . . . 4711 1 238 . 1 1 82 82 ARG N N 15 121.48 0.05 . 1 . . . . . . . . 4711 1 239 . 1 1 83 83 GLY H H 1 8.22 0.04 . 1 . . . . . . . . 4711 1 240 . 1 1 83 83 GLY CA C 13 44.70 0.35 . 1 . . . . . . . . 4711 1 241 . 1 1 83 83 GLY N N 15 109.60 0.05 . 1 . . . . . . . . 4711 1 242 . 1 1 84 84 PRO CA C 13 63.50 0.35 . 1 . . . . . . . . 4711 1 243 . 1 1 85 85 SER H H 1 8.45 0.04 . 1 . . . . . . . . 4711 1 244 . 1 1 85 85 SER CA C 13 58.67 0.35 . 1 . . . . . . . . 4711 1 245 . 1 1 85 85 SER N N 15 116.21 0.05 . 1 . . . . . . . . 4711 1 246 . 1 1 86 86 GLY H H 1 8.33 0.04 . 1 . . . . . . . . 4711 1 247 . 1 1 86 86 GLY CA C 13 45.65 0.35 . 1 . . . . . . . . 4711 1 248 . 1 1 86 86 GLY N N 15 110.78 0.05 . 1 . . . . . . . . 4711 1 249 . 1 1 87 87 GLY H H 1 8.21 0.04 . 1 . . . . . . . . 4711 1 250 . 1 1 87 87 GLY CA C 13 45.29 0.35 . 1 . . . . . . . . 4711 1 251 . 1 1 87 87 GLY N N 15 108.55 0.05 . 1 . . . . . . . . 4711 1 252 . 1 1 88 88 ASN H H 1 8.33 0.04 . 1 . . . . . . . . 4711 1 253 . 1 1 88 88 ASN CA C 13 53.32 0.35 . 1 . . . . . . . . 4711 1 254 . 1 1 88 88 ASN N N 15 118.81 0.05 . 1 . . . . . . . . 4711 1 255 . 1 1 89 89 ARG H H 1 8.39 0.04 . 1 . . . . . . . . 4711 1 256 . 1 1 89 89 ARG CA C 13 56.60 0.35 . 1 . . . . . . . . 4711 1 257 . 1 1 89 89 ARG N N 15 121.55 0.05 . 1 . . . . . . . . 4711 1 258 . 1 1 90 90 GLY H H 1 8.36 0.04 . 1 . . . . . . . . 4711 1 259 . 1 1 90 90 GLY CA C 13 45.45 0.35 . 1 . . . . . . . . 4711 1 260 . 1 1 90 90 GLY N N 15 109.54 0.05 . 1 . . . . . . . . 4711 1 261 . 1 1 91 91 GLY H H 1 8.14 0.04 . 1 . . . . . . . . 4711 1 262 . 1 1 91 91 GLY CA C 13 45.18 0.35 . 1 . . . . . . . . 4711 1 263 . 1 1 91 91 GLY N N 15 108.61 0.05 . 1 . . . . . . . . 4711 1 264 . 1 1 92 92 TYR H H 1 8.12 0.04 . 1 . . . . . . . . 4711 1 265 . 1 1 92 92 TYR CA C 13 58.21 0.35 . 1 . . . . . . . . 4711 1 266 . 1 1 92 92 TYR N N 15 120.33 0.05 . 1 . . . . . . . . 4711 1 267 . 1 1 93 93 GLY H H 1 8.41 0.04 . 1 . . . . . . . . 4711 1 268 . 1 1 93 93 GLY CA C 13 45.41 0.35 . 1 . . . . . . . . 4711 1 269 . 1 1 93 93 GLY N N 15 111.40 0.05 . 1 . . . . . . . . 4711 1 270 . 1 1 94 94 GLY H H 1 7.93 0.04 . 1 . . . . . . . . 4711 1 271 . 1 1 94 94 GLY CA C 13 45.32 0.35 . 1 . . . . . . . . 4711 1 272 . 1 1 94 94 GLY N N 15 108.54 0.05 . 1 . . . . . . . . 4711 1 273 . 1 1 95 95 GLY H H 1 8.36 0.04 . 1 . . . . . . . . 4711 1 274 . 1 1 95 95 GLY CA C 13 45.40 0.35 . 1 . . . . . . . . 4711 1 275 . 1 1 95 95 GLY N N 15 109.01 0.05 . 1 . . . . . . . . 4711 1 276 . 1 1 96 96 GLY H H 1 8.32 0.04 . 1 . . . . . . . . 4711 1 277 . 1 1 96 96 GLY CA C 13 45.37 0.35 . 1 . . . . . . . . 4711 1 278 . 1 1 96 96 GLY N N 15 108.96 0.05 . 1 . . . . . . . . 4711 1 279 . 1 1 97 97 GLY H H 1 8.29 0.04 . 1 . . . . . . . . 4711 1 280 . 1 1 97 97 GLY CA C 13 45.34 0.35 . 1 . . . . . . . . 4711 1 281 . 1 1 97 97 GLY N N 15 108.90 0.05 . 1 . . . . . . . . 4711 1 282 . 1 1 98 98 ARG H H 1 8.15 0.04 . 1 . . . . . . . . 4711 1 283 . 1 1 98 98 ARG CA C 13 56.14 0.35 . 1 . . . . . . . . 4711 1 284 . 1 1 98 98 ARG N N 15 120.33 0.05 . 1 . . . . . . . . 4711 1 285 . 1 1 99 99 ASN H H 1 8.40 0.04 . 1 . . . . . . . . 4711 1 286 . 1 1 99 99 ASN CA C 13 53.34 0.35 . 1 . . . . . . . . 4711 1 287 . 1 1 99 99 ASN N N 15 119.50 0.05 . 1 . . . . . . . . 4711 1 288 . 1 1 100 100 ARG H H 1 8.06 0.04 . 1 . . . . . . . . 4711 1 289 . 1 1 100 100 ARG CA C 13 56.10 0.35 . 1 . . . . . . . . 4711 1 290 . 1 1 100 100 ARG N N 15 121.17 0.05 . 1 . . . . . . . . 4711 1 291 . 1 1 101 101 TYR H H 1 7.66 0.04 . 1 . . . . . . . . 4711 1 292 . 1 1 101 101 TYR CA C 13 59.08 0.35 . 1 . . . . . . . . 4711 1 293 . 1 1 101 101 TYR N N 15 125.71 0.05 . 1 . . . . . . . . 4711 1 stop_ save_