data_51535 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51535 _Entry.Title ; Backbone assignment for Functional Amyloid in pseudomonas FapA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-28 _Entry.Accession_date 2022-07-28 _Entry.Last_release_date 2022-07-28 _Entry.Original_release_date 2022-07-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ben Shin . . . . 51535 2 Amit Kumar . . . . 51535 3 Yingqi Xu . . . . 51535 4 Steve Matthews . . . . 51535 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Life Sciences, Imperial College London' . 51535 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51535 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 136 51535 '15N chemical shifts' 90 51535 '1H chemical shifts' 90 51535 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 . . 2023-06-30 . original BMRB . 51535 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51538 'Functional Amyloid in pseudomonas FapB' 51535 BMRB 51539 'Functional Amyloid in pseudomonas FapC' 51535 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51535 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36368411 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; FapA is an Intrinsically Disordered Chaperone for Pseudomonas Functional Amyloid FapC ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 435 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167878 _Citation.Page_last 167878 _Citation.Year 2023 _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 Helena Ramussen . . . . 51535 1 2 Amit Kumar . . . . 51535 1 3 Ben Shin . . . . 51535 1 4 Fisentzos Stylianou . . . . 51535 1 5 Lee Sewell . . . . 51535 1 6 Yingqi Xu . . . . 51535 1 7 Daniel Otzen . . . . 51535 1 8 Jan Pedersen . . . . 51535 1 9 Steve Matthews . . . . 51535 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Fap 51535 1 IDP 51535 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51535 _Assembly.ID 1 _Assembly.Name FapA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FapA 1 $entity_1 . . yes native no no . . . 51535 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51535 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHHDYDIPTTENLY FQGEDGIIVTGRNVQGFMVG RPSFGKDPYPSTANANPSQQ ILRATGGELSDNDFAGVSSG STITRAILPNGDLPGLSNTL GNNSAGLGAGAAAGHASGNS LGGQISGSIERGLAPLNNIG AMMGVQP ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51535 1 2 . GLY . 51535 1 3 . HIS . 51535 1 4 . HIS . 51535 1 5 . HIS . 51535 1 6 . HIS . 51535 1 7 . HIS . 51535 1 8 . HIS . 51535 1 9 . HIS . 51535 1 10 . ASP . 51535 1 11 . TYR . 51535 1 12 . ASP . 51535 1 13 . ILE . 51535 1 14 . PRO . 51535 1 15 . THR . 51535 1 16 . THR . 51535 1 17 . GLU . 51535 1 18 . ASN . 51535 1 19 . LEU . 51535 1 20 . TYR . 51535 1 21 . PHE . 51535 1 22 . GLN . 51535 1 23 . GLY . 51535 1 24 . GLU . 51535 1 25 . ASP . 51535 1 26 . GLY . 51535 1 27 . ILE . 51535 1 28 . ILE . 51535 1 29 . VAL . 51535 1 30 . THR . 51535 1 31 . GLY . 51535 1 32 . ARG . 51535 1 33 . ASN . 51535 1 34 . VAL . 51535 1 35 . GLN . 51535 1 36 . GLY . 51535 1 37 . PHE . 51535 1 38 . MET . 51535 1 39 . VAL . 51535 1 40 . GLY . 51535 1 41 . ARG . 51535 1 42 . PRO . 51535 1 43 . SER . 51535 1 44 . PHE . 51535 1 45 . GLY . 51535 1 46 . LYS . 51535 1 47 . ASP . 51535 1 48 . PRO . 51535 1 49 . TYR . 51535 1 50 . PRO . 51535 1 51 . SER . 51535 1 52 . THR . 51535 1 53 . ALA . 51535 1 54 . ASN . 51535 1 55 . ALA . 51535 1 56 . ASN . 51535 1 57 . PRO . 51535 1 58 . SER . 51535 1 59 . GLN . 51535 1 60 . GLN . 51535 1 61 . ILE . 51535 1 62 . LEU . 51535 1 63 . ARG . 51535 1 64 . ALA . 51535 1 65 . THR . 51535 1 66 . GLY . 51535 1 67 . GLY . 51535 1 68 . GLU . 51535 1 69 . LEU . 51535 1 70 . SER . 51535 1 71 . ASP . 51535 1 72 . ASN . 51535 1 73 . ASP . 51535 1 74 . PHE . 51535 1 75 . ALA . 51535 1 76 . GLY . 51535 1 77 . VAL . 51535 1 78 . SER . 51535 1 79 . SER . 51535 1 80 . GLY . 51535 1 81 . SER . 51535 1 82 . THR . 51535 1 83 . ILE . 51535 1 84 . THR . 51535 1 85 . ARG . 51535 1 86 . ALA . 51535 1 87 . ILE . 51535 1 88 . LEU . 51535 1 89 . PRO . 51535 1 90 . ASN . 51535 1 91 . GLY . 51535 1 92 . ASP . 51535 1 93 . LEU . 51535 1 94 . PRO . 51535 1 95 . GLY . 51535 1 96 . LEU . 51535 1 97 . SER . 51535 1 98 . ASN . 51535 1 99 . THR . 51535 1 100 . LEU . 51535 1 101 . GLY . 51535 1 102 . ASN . 51535 1 103 . ASN . 51535 1 104 . SER . 51535 1 105 . ALA . 51535 1 106 . GLY . 51535 1 107 . LEU . 51535 1 108 . GLY . 51535 1 109 . ALA . 51535 1 110 . GLY . 51535 1 111 . ALA . 51535 1 112 . ALA . 51535 1 113 . ALA . 51535 1 114 . GLY . 51535 1 115 . HIS . 51535 1 116 . ALA . 51535 1 117 . SER . 51535 1 118 . GLY . 51535 1 119 . ASN . 51535 1 120 . SER . 51535 1 121 . LEU . 51535 1 122 . GLY . 51535 1 123 . GLY . 51535 1 124 . GLN . 51535 1 125 . ILE . 51535 1 126 . SER . 51535 1 127 . GLY . 51535 1 128 . SER . 51535 1 129 . ILE . 51535 1 130 . GLU . 51535 1 131 . ARG . 51535 1 132 . GLY . 51535 1 133 . LEU . 51535 1 134 . ALA . 51535 1 135 . PRO . 51535 1 136 . LEU . 51535 1 137 . ASN . 51535 1 138 . ASN . 51535 1 139 . ILE . 51535 1 140 . GLY . 51535 1 141 . ALA . 51535 1 142 . MET . 51535 1 143 . MET . 51535 1 144 . GLY . 51535 1 145 . VAL . 51535 1 146 . GLN . 51535 1 147 . PRO . 51535 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51535 1 . GLY 2 2 51535 1 . HIS 3 3 51535 1 . HIS 4 4 51535 1 . HIS 5 5 51535 1 . HIS 6 6 51535 1 . HIS 7 7 51535 1 . HIS 8 8 51535 1 . HIS 9 9 51535 1 . ASP 10 10 51535 1 . TYR 11 11 51535 1 . ASP 12 12 51535 1 . ILE 13 13 51535 1 . PRO 14 14 51535 1 . THR 15 15 51535 1 . THR 16 16 51535 1 . GLU 17 17 51535 1 . ASN 18 18 51535 1 . LEU 19 19 51535 1 . TYR 20 20 51535 1 . PHE 21 21 51535 1 . GLN 22 22 51535 1 . GLY 23 23 51535 1 . GLU 24 24 51535 1 . ASP 25 25 51535 1 . GLY 26 26 51535 1 . ILE 27 27 51535 1 . ILE 28 28 51535 1 . VAL 29 29 51535 1 . THR 30 30 51535 1 . GLY 31 31 51535 1 . ARG 32 32 51535 1 . ASN 33 33 51535 1 . VAL 34 34 51535 1 . GLN 35 35 51535 1 . GLY 36 36 51535 1 . PHE 37 37 51535 1 . MET 38 38 51535 1 . VAL 39 39 51535 1 . GLY 40 40 51535 1 . ARG 41 41 51535 1 . PRO 42 42 51535 1 . SER 43 43 51535 1 . PHE 44 44 51535 1 . GLY 45 45 51535 1 . LYS 46 46 51535 1 . ASP 47 47 51535 1 . PRO 48 48 51535 1 . TYR 49 49 51535 1 . PRO 50 50 51535 1 . SER 51 51 51535 1 . THR 52 52 51535 1 . ALA 53 53 51535 1 . ASN 54 54 51535 1 . ALA 55 55 51535 1 . ASN 56 56 51535 1 . PRO 57 57 51535 1 . SER 58 58 51535 1 . GLN 59 59 51535 1 . GLN 60 60 51535 1 . ILE 61 61 51535 1 . LEU 62 62 51535 1 . ARG 63 63 51535 1 . ALA 64 64 51535 1 . THR 65 65 51535 1 . GLY 66 66 51535 1 . GLY 67 67 51535 1 . GLU 68 68 51535 1 . LEU 69 69 51535 1 . SER 70 70 51535 1 . ASP 71 71 51535 1 . ASN 72 72 51535 1 . ASP 73 73 51535 1 . PHE 74 74 51535 1 . ALA 75 75 51535 1 . GLY 76 76 51535 1 . VAL 77 77 51535 1 . SER 78 78 51535 1 . SER 79 79 51535 1 . GLY 80 80 51535 1 . SER 81 81 51535 1 . THR 82 82 51535 1 . ILE 83 83 51535 1 . THR 84 84 51535 1 . ARG 85 85 51535 1 . ALA 86 86 51535 1 . ILE 87 87 51535 1 . LEU 88 88 51535 1 . PRO 89 89 51535 1 . ASN 90 90 51535 1 . GLY 91 91 51535 1 . ASP 92 92 51535 1 . LEU 93 93 51535 1 . PRO 94 94 51535 1 . GLY 95 95 51535 1 . LEU 96 96 51535 1 . SER 97 97 51535 1 . ASN 98 98 51535 1 . THR 99 99 51535 1 . LEU 100 100 51535 1 . GLY 101 101 51535 1 . ASN 102 102 51535 1 . ASN 103 103 51535 1 . SER 104 104 51535 1 . ALA 105 105 51535 1 . GLY 106 106 51535 1 . LEU 107 107 51535 1 . GLY 108 108 51535 1 . ALA 109 109 51535 1 . GLY 110 110 51535 1 . ALA 111 111 51535 1 . ALA 112 112 51535 1 . ALA 113 113 51535 1 . GLY 114 114 51535 1 . HIS 115 115 51535 1 . ALA 116 116 51535 1 . SER 117 117 51535 1 . GLY 118 118 51535 1 . ASN 119 119 51535 1 . SER 120 120 51535 1 . LEU 121 121 51535 1 . GLY 122 122 51535 1 . GLY 123 123 51535 1 . GLN 124 124 51535 1 . ILE 125 125 51535 1 . SER 126 126 51535 1 . GLY 127 127 51535 1 . SER 128 128 51535 1 . ILE 129 129 51535 1 . GLU 130 130 51535 1 . ARG 131 131 51535 1 . GLY 132 132 51535 1 . LEU 133 133 51535 1 . ALA 134 134 51535 1 . PRO 135 135 51535 1 . LEU 136 136 51535 1 . ASN 137 137 51535 1 . ASN 138 138 51535 1 . ILE 139 139 51535 1 . GLY 140 140 51535 1 . ALA 141 141 51535 1 . MET 142 142 51535 1 . MET 143 143 51535 1 . GLY 144 144 51535 1 . VAL 145 145 51535 1 . GLN 146 146 51535 1 . PRO 147 147 51535 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51535 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 303 organism . 'Pseudomonas putida' 'Pseudomonas putida' . . Bacteria . Pseudomonas putida . . . . . . . . . . . . . 51535 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51535 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pRSF1b . . . 51535 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51535 _Sample.ID 1 _Sample.Name FapA _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 FapA '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 51535 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51535 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 51535 _Sample_condition_list.ID 1 _Sample_condition_list.Name NMR _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' 0.02 . M 51535 1 pH 6.5 . pH 51535 1 pressure 1 . atm 51535 1 temperature 283 . K 51535 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51535 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51535 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51535 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 950 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51535 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51535 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51535 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51535 1 3 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51535 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51535 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51535 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51535 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _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 C 13 water protons . . . . ppm 4.916 internal indirect 0.251449530 . . . . . 51535 1 H 1 water protons . . . . ppm 4.916 internal direct 1 . . . . . 51535 1 N 15 water protons . . . . ppm 4.916 internal indirect 0.101329118 . . . . . 51535 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51535 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name A _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 $chem_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-13C HSQC' . . . 51535 1 2 '3D HNCACB' . . . 51535 1 3 '3D HN(CO)CACB' . . . 51535 1 4 '3D HNCO' . . . 51535 1 5 '3D HN(CA)CO' . . . 51535 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 $software_1 . . 51535 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 15 15 THR H H 1 8.39 0.03 . 1 . . . . . 15 THR H . 51535 1 2 . 1 . 1 15 15 THR CA C 13 61.84 0.20 . 1 . . . . . 15 THR CA . 51535 1 3 . 1 . 1 15 15 THR CB C 13 69.85 0.20 . 1 . . . . . 15 THR CB . 51535 1 4 . 1 . 1 15 15 THR N N 15 114.92 0.20 . 1 . . . . . 15 THR N . 51535 1 5 . 1 . 1 16 16 THR H H 1 8.16 0.03 . 1 . . . . . 16 THR H . 51535 1 6 . 1 . 1 16 16 THR CA C 13 62.08 0.20 . 1 . . . . . 16 THR CA . 51535 1 7 . 1 . 1 16 16 THR CB C 13 65.89 0.20 . 1 . . . . . 16 THR CB . 51535 1 8 . 1 . 1 16 16 THR N N 15 115.51 0.20 . 1 . . . . . 16 THR N . 51535 1 9 . 1 . 1 17 17 GLU H H 1 8.43 0.03 . 1 . . . . . 17 GLU H . 51535 1 10 . 1 . 1 17 17 GLU CA C 13 55.22 0.20 . 1 . . . . . 17 GLU CA . 51535 1 11 . 1 . 1 17 17 GLU N N 15 122.84 0.20 . 1 . . . . . 17 GLU N . 51535 1 12 . 1 . 1 18 18 ASN H H 1 8.57 0.03 . 1 . . . . . 18 ASN H . 51535 1 13 . 1 . 1 18 18 ASN CA C 13 53.04 0.20 . 1 . . . . . 18 ASN CA . 51535 1 14 . 1 . 1 18 18 ASN CB C 13 38.64 0.20 . 1 . . . . . 18 ASN CB . 51535 1 15 . 1 . 1 18 18 ASN N N 15 119.94 0.20 . 1 . . . . . 18 ASN N . 51535 1 16 . 1 . 1 20 20 TYR H H 1 8.03 0.03 . 1 . . . . . 20 TYR H . 51535 1 17 . 1 . 1 20 20 TYR CA C 13 58.82 0.20 . 1 . . . . . 20 TYR CA . 51535 1 18 . 1 . 1 20 20 TYR CB C 13 38.58 0.20 . 1 . . . . . 20 TYR CB . 51535 1 19 . 1 . 1 20 20 TYR N N 15 122.52 0.20 . 1 . . . . . 20 TYR N . 51535 1 20 . 1 . 1 22 22 GLN H H 1 8.36 0.03 . 1 . . . . . 22 GLN H . 51535 1 21 . 1 . 1 22 22 GLN CB C 13 29.70 0.20 . 1 . . . . . 22 GLN CB . 51535 1 22 . 1 . 1 22 22 GLN N N 15 122.89 0.20 . 1 . . . . . 22 GLN N . 51535 1 23 . 1 . 1 23 23 GLY H H 1 8.03 0.03 . 1 . . . . . 23 GLY H . 51535 1 24 . 1 . 1 23 23 GLY CA C 13 44.96 0.20 . 1 . . . . . 23 GLY CA . 51535 1 25 . 1 . 1 23 23 GLY N N 15 110.61 0.20 . 1 . . . . . 23 GLY N . 51535 1 26 . 1 . 1 24 24 GLU H H 1 8.61 0.03 . 1 . . . . . 24 GLU H . 51535 1 27 . 1 . 1 24 24 GLU CA C 13 57.17 0.20 . 1 . . . . . 24 GLU CA . 51535 1 28 . 1 . 1 24 24 GLU CB C 13 30.04 0.20 . 1 . . . . . 24 GLU CB . 51535 1 29 . 1 . 1 24 24 GLU N N 15 121.01 0.20 . 1 . . . . . 24 GLU N . 51535 1 30 . 1 . 1 29 29 VAL H H 1 8.29 0.03 . 1 . . . . . 29 VAL H . 51535 1 31 . 1 . 1 29 29 VAL N N 15 119.94 0.20 . 1 . . . . . 29 VAL N . 51535 1 32 . 1 . 1 30 30 THR H H 1 8.30 0.03 . 1 . . . . . 30 THR H . 51535 1 33 . 1 . 1 30 30 THR CA C 13 61.96 0.20 . 1 . . . . . 30 THR CA . 51535 1 34 . 1 . 1 30 30 THR CB C 13 69.87 0.20 . 1 . . . . . 30 THR CB . 51535 1 35 . 1 . 1 30 30 THR N N 15 117.90 0.20 . 1 . . . . . 30 THR N . 51535 1 36 . 1 . 1 31 31 GLY H H 1 8.54 0.03 . 1 . . . . . 31 GLY H . 51535 1 37 . 1 . 1 31 31 GLY CA C 13 45.28 0.20 . 1 . . . . . 31 GLY CA . 51535 1 38 . 1 . 1 31 31 GLY N N 15 111.55 0.20 . 1 . . . . . 31 GLY N . 51535 1 39 . 1 . 1 32 32 ARG H H 1 8.22 0.03 . 1 . . . . . 32 ARG H . 51535 1 40 . 1 . 1 32 32 ARG CA C 13 55.97 0.20 . 1 . . . . . 32 ARG CA . 51535 1 41 . 1 . 1 32 32 ARG CB C 13 30.33 0.20 . 1 . . . . . 32 ARG CB . 51535 1 42 . 1 . 1 32 32 ARG N N 15 119.12 0.20 . 1 . . . . . 32 ARG N . 51535 1 43 . 1 . 1 35 35 GLN H H 1 8.42 0.03 . 1 . . . . . 35 GLN H . 51535 1 44 . 1 . 1 35 35 GLN CA C 13 56.37 0.20 . 1 . . . . . 35 GLN CA . 51535 1 45 . 1 . 1 35 35 GLN CB C 13 29.16 0.20 . 1 . . . . . 35 GLN CB . 51535 1 46 . 1 . 1 35 35 GLN N N 15 123.17 0.20 . 1 . . . . . 35 GLN N . 51535 1 47 . 1 . 1 36 36 GLY H H 1 8.38 0.03 . 1 . . . . . 36 GLY H . 51535 1 48 . 1 . 1 36 36 GLY CA C 13 45.24 0.20 . 1 . . . . . 36 GLY CA . 51535 1 49 . 1 . 1 36 36 GLY N N 15 109.68 0.20 . 1 . . . . . 36 GLY N . 51535 1 50 . 1 . 1 37 37 PHE H H 1 8.05 0.03 . 1 . . . . . 37 PHE H . 51535 1 51 . 1 . 1 37 37 PHE CA C 13 57.83 0.20 . 1 . . . . . 37 PHE CA . 51535 1 52 . 1 . 1 37 37 PHE CB C 13 39.63 0.20 . 1 . . . . . 37 PHE CB . 51535 1 53 . 1 . 1 37 37 PHE N N 15 119.97 0.20 . 1 . . . . . 37 PHE N . 51535 1 54 . 1 . 1 38 38 MET H H 1 8.30 0.03 . 1 . . . . . 38 MET H . 51535 1 55 . 1 . 1 38 38 MET CA C 13 55.20 0.20 . 1 . . . . . 38 MET CA . 51535 1 56 . 1 . 1 38 38 MET CB C 13 32.80 0.20 . 1 . . . . . 38 MET CB . 51535 1 57 . 1 . 1 38 38 MET N N 15 122.29 0.20 . 1 . . . . . 38 MET N . 51535 1 58 . 1 . 1 39 39 VAL H H 1 8.12 0.03 . 1 . . . . . 39 VAL H . 51535 1 59 . 1 . 1 39 39 VAL CA C 13 62.64 0.20 . 1 . . . . . 39 VAL CA . 51535 1 60 . 1 . 1 39 39 VAL N N 15 121.83 0.20 . 1 . . . . . 39 VAL N . 51535 1 61 . 1 . 1 40 40 GLY H H 1 8.51 0.03 . 1 . . . . . 40 GLY H . 51535 1 62 . 1 . 1 40 40 GLY CA C 13 44.99 0.20 . 1 . . . . . 40 GLY CA . 51535 1 63 . 1 . 1 40 40 GLY N N 15 111.37 0.20 . 1 . . . . . 40 GLY N . 51535 1 64 . 1 . 1 41 41 ARG H H 1 8.12 0.03 . 1 . . . . . 41 ARG H . 51535 1 65 . 1 . 1 41 41 ARG N N 15 121.36 0.20 . 1 . . . . . 41 ARG N . 51535 1 66 . 1 . 1 44 44 PHE H H 1 8.30 0.03 . 1 . . . . . 44 PHE H . 51535 1 67 . 1 . 1 44 44 PHE CA C 13 57.91 0.20 . 1 . . . . . 44 PHE CA . 51535 1 68 . 1 . 1 44 44 PHE CB C 13 39.56 0.20 . 1 . . . . . 44 PHE CB . 51535 1 69 . 1 . 1 44 44 PHE N N 15 121.99 0.20 . 1 . . . . . 44 PHE N . 51535 1 70 . 1 . 1 45 45 GLY H H 1 8.37 0.03 . 1 . . . . . 45 GLY H . 51535 1 71 . 1 . 1 45 45 GLY CA C 13 45.15 0.20 . 1 . . . . . 45 GLY CA . 51535 1 72 . 1 . 1 45 45 GLY N N 15 110.63 0.20 . 1 . . . . . 45 GLY N . 51535 1 73 . 1 . 1 46 46 LYS H H 1 8.14 0.03 . 1 . . . . . 46 LYS H . 51535 1 74 . 1 . 1 46 46 LYS CB C 13 33.21 0.20 . 1 . . . . . 46 LYS CB . 51535 1 75 . 1 . 1 46 46 LYS N N 15 120.55 0.20 . 1 . . . . . 46 LYS N . 51535 1 76 . 1 . 1 52 52 THR H H 1 8.30 0.03 . 1 . . . . . 52 THR H . 51535 1 77 . 1 . 1 52 52 THR CA C 13 62.20 0.20 . 1 . . . . . 52 THR CA . 51535 1 78 . 1 . 1 52 52 THR CB C 13 69.65 0.20 . 1 . . . . . 52 THR CB . 51535 1 79 . 1 . 1 52 52 THR N N 15 116.63 0.20 . 1 . . . . . 52 THR N . 51535 1 80 . 1 . 1 53 53 ALA H H 1 8.30 0.03 . 1 . . . . . 53 ALA H . 51535 1 81 . 1 . 1 53 53 ALA CA C 13 52.79 0.20 . 1 . . . . . 53 ALA CA . 51535 1 82 . 1 . 1 53 53 ALA CB C 13 19.08 0.20 . 1 . . . . . 53 ALA CB . 51535 1 83 . 1 . 1 53 53 ALA N N 15 125.94 0.20 . 1 . . . . . 53 ALA N . 51535 1 84 . 1 . 1 54 54 ASN H H 1 8.36 0.03 . 1 . . . . . 54 ASN H . 51535 1 85 . 1 . 1 54 54 ASN CA C 13 53.00 0.20 . 1 . . . . . 54 ASN CA . 51535 1 86 . 1 . 1 54 54 ASN CB C 13 38.79 0.20 . 1 . . . . . 54 ASN CB . 51535 1 87 . 1 . 1 54 54 ASN N N 15 117.83 0.20 . 1 . . . . . 54 ASN N . 51535 1 88 . 1 . 1 55 55 ALA H H 1 8.22 0.03 . 1 . . . . . 55 ALA H . 51535 1 89 . 1 . 1 55 55 ALA CA C 13 52.48 0.20 . 1 . . . . . 55 ALA CA . 51535 1 90 . 1 . 1 55 55 ALA CB C 13 19.26 0.20 . 1 . . . . . 55 ALA CB . 51535 1 91 . 1 . 1 55 55 ALA N N 15 124.25 0.20 . 1 . . . . . 55 ALA N . 51535 1 92 . 1 . 1 56 56 ASN H H 1 8.46 0.03 . 1 . . . . . 56 ASN H . 51535 1 93 . 1 . 1 56 56 ASN CA C 13 51.27 0.20 . 1 . . . . . 56 ASN CA . 51535 1 94 . 1 . 1 56 56 ASN CB C 13 38.77 0.20 . 1 . . . . . 56 ASN CB . 51535 1 95 . 1 . 1 56 56 ASN N N 15 118.75 0.20 . 1 . . . . . 56 ASN N . 51535 1 96 . 1 . 1 64 64 ALA H H 1 8.45 0.03 . 1 . . . . . 64 ALA H . 51535 1 97 . 1 . 1 64 64 ALA CA C 13 52.60 0.20 . 1 . . . . . 64 ALA CA . 51535 1 98 . 1 . 1 64 64 ALA CB C 13 19.16 0.20 . 1 . . . . . 64 ALA CB . 51535 1 99 . 1 . 1 64 64 ALA N N 15 125.86 0.20 . 1 . . . . . 64 ALA N . 51535 1 100 . 1 . 1 65 65 THR H H 1 8.27 0.03 . 1 . . . . . 65 THR H . 51535 1 101 . 1 . 1 65 65 THR CA C 13 61.93 0.20 . 1 . . . . . 65 THR CA . 51535 1 102 . 1 . 1 65 65 THR CB C 13 69.94 0.20 . 1 . . . . . 65 THR CB . 51535 1 103 . 1 . 1 65 65 THR N N 15 113.09 0.20 . 1 . . . . . 65 THR N . 51535 1 104 . 1 . 1 66 66 GLY H H 1 8.52 0.03 . 1 . . . . . 66 GLY H . 51535 1 105 . 1 . 1 66 66 GLY CA C 13 45.41 0.20 . 1 . . . . . 66 GLY CA . 51535 1 106 . 1 . 1 66 66 GLY N N 15 111.29 0.20 . 1 . . . . . 66 GLY N . 51535 1 107 . 1 . 1 67 67 GLY H H 1 8.35 0.03 . 1 . . . . . 67 GLY H . 51535 1 108 . 1 . 1 67 67 GLY CA C 13 45.10 0.20 . 1 . . . . . 67 GLY CA . 51535 1 109 . 1 . 1 67 67 GLY N N 15 109.00 0.20 . 1 . . . . . 67 GLY N . 51535 1 110 . 1 . 1 69 69 LEU H H 1 8.43 0.03 . 1 . . . . . 69 LEU H . 51535 1 111 . 1 . 1 69 69 LEU CA C 13 55.22 0.20 . 1 . . . . . 69 LEU CA . 51535 1 112 . 1 . 1 69 69 LEU CB C 13 42.19 0.20 . 1 . . . . . 69 LEU CB . 51535 1 113 . 1 . 1 69 69 LEU N N 15 123.01 0.20 . 1 . . . . . 69 LEU N . 51535 1 114 . 1 . 1 70 70 SER H H 1 8.39 0.03 . 1 . . . . . 70 SER H . 51535 1 115 . 1 . 1 70 70 SER CA C 13 58.16 0.20 . 1 . . . . . 70 SER CA . 51535 1 116 . 1 . 1 70 70 SER CB C 13 64.00 0.20 . 1 . . . . . 70 SER CB . 51535 1 117 . 1 . 1 70 70 SER N N 15 116.51 0.20 . 1 . . . . . 70 SER N . 51535 1 118 . 1 . 1 71 71 ASP H H 1 8.41 0.03 . 1 . . . . . 71 ASP H . 51535 1 119 . 1 . 1 71 71 ASP CA C 13 54.74 0.20 . 1 . . . . . 71 ASP CA . 51535 1 120 . 1 . 1 71 71 ASP CB C 13 40.91 0.20 . 1 . . . . . 71 ASP CB . 51535 1 121 . 1 . 1 71 71 ASP N N 15 122.43 0.20 . 1 . . . . . 71 ASP N . 51535 1 122 . 1 . 1 72 72 ASN H H 1 8.33 0.03 . 1 . . . . . 72 ASN H . 51535 1 123 . 1 . 1 72 72 ASN CA C 13 53.55 0.20 . 1 . . . . . 72 ASN CA . 51535 1 124 . 1 . 1 72 72 ASN CB C 13 38.95 0.20 . 1 . . . . . 72 ASN CB . 51535 1 125 . 1 . 1 72 72 ASN N N 15 118.55 0.20 . 1 . . . . . 72 ASN N . 51535 1 126 . 1 . 1 75 75 ALA H H 1 8.20 0.03 . 1 . . . . . 75 ALA H . 51535 1 127 . 1 . 1 75 75 ALA CA C 13 52.78 0.20 . 1 . . . . . 75 ALA CA . 51535 1 128 . 1 . 1 75 75 ALA CB C 13 18.99 0.20 . 1 . . . . . 75 ALA CB . 51535 1 129 . 1 . 1 75 75 ALA N N 15 125.03 0.20 . 1 . . . . . 75 ALA N . 51535 1 130 . 1 . 1 76 76 GLY H H 1 8.48 0.03 . 1 . . . . . 76 GLY H . 51535 1 131 . 1 . 1 76 76 GLY N N 15 108.26 0.20 . 1 . . . . . 76 GLY N . 51535 1 132 . 1 . 1 77 77 VAL H H 1 8.53 0.03 . 1 . . . . . 77 VAL H . 51535 1 133 . 1 . 1 77 77 VAL N N 15 120.65 0.20 . 1 . . . . . 77 VAL N . 51535 1 134 . 1 . 1 78 78 SER H H 1 8.47 0.03 . 1 . . . . . 78 SER H . 51535 1 135 . 1 . 1 78 78 SER N N 15 118.19 0.20 . 1 . . . . . 78 SER N . 51535 1 136 . 1 . 1 79 79 SER H H 1 8.38 0.03 . 1 . . . . . 79 SER H . 51535 1 137 . 1 . 1 79 79 SER N N 15 115.93 0.20 . 1 . . . . . 79 SER N . 51535 1 138 . 1 . 1 82 82 THR H H 1 8.23 0.03 . 1 . . . . . 82 THR H . 51535 1 139 . 1 . 1 82 82 THR CA C 13 61.90 0.20 . 1 . . . . . 82 THR CA . 51535 1 140 . 1 . 1 82 82 THR CB C 13 69.60 0.20 . 1 . . . . . 82 THR CB . 51535 1 141 . 1 . 1 82 82 THR N N 15 115.73 0.20 . 1 . . . . . 82 THR N . 51535 1 142 . 1 . 1 83 83 ILE H H 1 8.21 0.03 . 1 . . . . . 83 ILE H . 51535 1 143 . 1 . 1 83 83 ILE CA C 13 61.18 0.20 . 1 . . . . . 83 ILE CA . 51535 1 144 . 1 . 1 83 83 ILE CB C 13 38.63 0.20 . 1 . . . . . 83 ILE CB . 51535 1 145 . 1 . 1 83 83 ILE N N 15 123.70 0.20 . 1 . . . . . 83 ILE N . 51535 1 146 . 1 . 1 84 84 THR H H 1 8.31 0.03 . 1 . . . . . 84 THR H . 51535 1 147 . 1 . 1 84 84 THR CA C 13 62.01 0.20 . 1 . . . . . 84 THR CA . 51535 1 148 . 1 . 1 84 84 THR CB C 13 69.69 0.20 . 1 . . . . . 84 THR CB . 51535 1 149 . 1 . 1 84 84 THR N N 15 119.75 0.20 . 1 . . . . . 84 THR N . 51535 1 150 . 1 . 1 85 85 ARG H H 1 8.38 0.03 . 1 . . . . . 85 ARG H . 51535 1 151 . 1 . 1 85 85 ARG CA C 13 55.80 0.20 . 1 . . . . . 85 ARG CA . 51535 1 152 . 1 . 1 85 85 ARG CB C 13 30.94 0.20 . 1 . . . . . 85 ARG CB . 51535 1 153 . 1 . 1 85 85 ARG N N 15 124.46 0.20 . 1 . . . . . 85 ARG N . 51535 1 154 . 1 . 1 86 86 ALA H H 1 8.36 0.03 . 1 . . . . . 86 ALA H . 51535 1 155 . 1 . 1 86 86 ALA CA C 13 52.32 0.20 . 1 . . . . . 86 ALA CA . 51535 1 156 . 1 . 1 86 86 ALA CB C 13 19.18 0.20 . 1 . . . . . 86 ALA CB . 51535 1 157 . 1 . 1 86 86 ALA N N 15 125.97 0.20 . 1 . . . . . 86 ALA N . 51535 1 158 . 1 . 1 87 87 ILE H H 1 8.21 0.03 . 1 . . . . . 87 ILE H . 51535 1 159 . 1 . 1 87 87 ILE CA C 13 61.30 0.20 . 1 . . . . . 87 ILE CA . 51535 1 160 . 1 . 1 87 87 ILE CB C 13 38.50 0.20 . 1 . . . . . 87 ILE CB . 51535 1 161 . 1 . 1 87 87 ILE N N 15 122.73 0.20 . 1 . . . . . 87 ILE N . 51535 1 162 . 1 . 1 88 88 LEU H H 1 8.35 0.03 . 1 . . . . . 88 LEU H . 51535 1 163 . 1 . 1 88 88 LEU CA C 13 55.09 0.20 . 1 . . . . . 88 LEU CA . 51535 1 164 . 1 . 1 88 88 LEU CB C 13 42.18 0.20 . 1 . . . . . 88 LEU CB . 51535 1 165 . 1 . 1 88 88 LEU N N 15 126.74 0.20 . 1 . . . . . 88 LEU N . 51535 1 166 . 1 . 1 95 95 GLY H H 1 7.89 0.03 . 1 . . . . . 95 GLY H . 51535 1 167 . 1 . 1 95 95 GLY CA C 13 45.33 0.20 . 1 . . . . . 95 GLY CA . 51535 1 168 . 1 . 1 95 95 GLY N N 15 107.49 0.20 . 1 . . . . . 95 GLY N . 51535 1 169 . 1 . 1 96 96 LEU H H 1 8.14 0.03 . 1 . . . . . 96 LEU H . 51535 1 170 . 1 . 1 96 96 LEU CA C 13 55.28 0.20 . 1 . . . . . 96 LEU CA . 51535 1 171 . 1 . 1 96 96 LEU CB C 13 42.41 0.20 . 1 . . . . . 96 LEU CB . 51535 1 172 . 1 . 1 96 96 LEU N N 15 121.63 0.20 . 1 . . . . . 96 LEU N . 51535 1 173 . 1 . 1 97 97 SER H H 1 8.39 0.03 . 1 . . . . . 97 SER H . 51535 1 174 . 1 . 1 97 97 SER CA C 13 58.44 0.20 . 1 . . . . . 97 SER CA . 51535 1 175 . 1 . 1 97 97 SER CB C 13 63.70 0.20 . 1 . . . . . 97 SER CB . 51535 1 176 . 1 . 1 97 97 SER N N 15 116.23 0.20 . 1 . . . . . 97 SER N . 51535 1 177 . 1 . 1 98 98 ASN H H 1 8.51 0.03 . 1 . . . . . 98 ASN H . 51535 1 178 . 1 . 1 98 98 ASN CA C 13 53.36 0.20 . 1 . . . . . 98 ASN CA . 51535 1 179 . 1 . 1 98 98 ASN CB C 13 38.72 0.20 . 1 . . . . . 98 ASN CB . 51535 1 180 . 1 . 1 98 98 ASN N N 15 120.93 0.20 . 1 . . . . . 98 ASN N . 51535 1 181 . 1 . 1 99 99 THR H H 1 8.19 0.03 . 1 . . . . . 99 THR H . 51535 1 182 . 1 . 1 99 99 THR CA C 13 62.18 0.20 . 1 . . . . . 99 THR CA . 51535 1 183 . 1 . 1 99 99 THR CB C 13 69.61 0.20 . 1 . . . . . 99 THR CB . 51535 1 184 . 1 . 1 99 99 THR N N 15 114.20 0.20 . 1 . . . . . 99 THR N . 51535 1 185 . 1 . 1 100 100 LEU H H 1 8.27 0.03 . 1 . . . . . 100 LEU H . 51535 1 186 . 1 . 1 100 100 LEU CA C 13 55.49 0.20 . 1 . . . . . 100 LEU CA . 51535 1 187 . 1 . 1 100 100 LEU CB C 13 42.14 0.20 . 1 . . . . . 100 LEU CB . 51535 1 188 . 1 . 1 100 100 LEU N N 15 123.88 0.20 . 1 . . . . . 100 LEU N . 51535 1 189 . 1 . 1 101 101 GLY H H 1 8.38 0.03 . 1 . . . . . 101 GLY H . 51535 1 190 . 1 . 1 101 101 GLY CA C 13 45.44 0.20 . 1 . . . . . 101 GLY CA . 51535 1 191 . 1 . 1 101 101 GLY N N 15 109.31 0.20 . 1 . . . . . 101 GLY N . 51535 1 192 . 1 . 1 102 102 ASN H H 1 8.33 0.03 . 1 . . . . . 102 ASN H . 51535 1 193 . 1 . 1 102 102 ASN N N 15 118.69 0.20 . 1 . . . . . 102 ASN N . 51535 1 194 . 1 . 1 104 104 SER H H 1 8.13 0.03 . 1 . . . . . 104 SER H . 51535 1 195 . 1 . 1 104 104 SER N N 15 120.29 0.20 . 1 . . . . . 104 SER N . 51535 1 196 . 1 . 1 105 105 ALA H H 1 8.35 0.03 . 1 . . . . . 105 ALA H . 51535 1 197 . 1 . 1 105 105 ALA CA C 13 52.84 0.20 . 1 . . . . . 105 ALA CA . 51535 1 198 . 1 . 1 105 105 ALA CB C 13 19.03 0.20 . 1 . . . . . 105 ALA CB . 51535 1 199 . 1 . 1 105 105 ALA N N 15 125.54 0.20 . 1 . . . . . 105 ALA N . 51535 1 200 . 1 . 1 106 106 GLY H H 1 8.29 0.03 . 1 . . . . . 106 GLY H . 51535 1 201 . 1 . 1 106 106 GLY CA C 13 45.29 0.20 . 1 . . . . . 106 GLY CA . 51535 1 202 . 1 . 1 106 106 GLY N N 15 107.67 0.20 . 1 . . . . . 106 GLY N . 51535 1 203 . 1 . 1 107 107 LEU H H 1 8.16 0.03 . 1 . . . . . 107 LEU H . 51535 1 204 . 1 . 1 107 107 LEU CA C 13 55.31 0.20 . 1 . . . . . 107 LEU CA . 51535 1 205 . 1 . 1 107 107 LEU CB C 13 42.33 0.20 . 1 . . . . . 107 LEU CB . 51535 1 206 . 1 . 1 107 107 LEU N N 15 121.47 0.20 . 1 . . . . . 107 LEU N . 51535 1 207 . 1 . 1 108 108 GLY H H 1 8.51 0.03 . 1 . . . . . 108 GLY H . 51535 1 208 . 1 . 1 108 108 GLY CA C 13 45.22 0.20 . 1 . . . . . 108 GLY CA . 51535 1 209 . 1 . 1 108 108 GLY N N 15 109.72 0.20 . 1 . . . . . 108 GLY N . 51535 1 210 . 1 . 1 109 109 ALA H H 1 8.28 0.03 . 1 . . . . . 109 ALA H . 51535 1 211 . 1 . 1 109 109 ALA CA C 13 52.81 0.20 . 1 . . . . . 109 ALA CA . 51535 1 212 . 1 . 1 109 109 ALA CB C 13 19.11 0.20 . 1 . . . . . 109 ALA CB . 51535 1 213 . 1 . 1 109 109 ALA N N 15 123.95 0.20 . 1 . . . . . 109 ALA N . 51535 1 214 . 1 . 1 110 110 GLY H H 1 8.48 0.03 . 1 . . . . . 110 GLY H . 51535 1 215 . 1 . 1 110 110 GLY CA C 13 45.24 0.20 . 1 . . . . . 110 GLY CA . 51535 1 216 . 1 . 1 110 110 GLY N N 15 108.26 0.20 . 1 . . . . . 110 GLY N . 51535 1 217 . 1 . 1 111 111 ALA H H 1 8.12 0.03 . 1 . . . . . 111 ALA H . 51535 1 218 . 1 . 1 111 111 ALA CA C 13 52.62 0.20 . 1 . . . . . 111 ALA CA . 51535 1 219 . 1 . 1 111 111 ALA CB C 13 19.20 0.20 . 1 . . . . . 111 ALA CB . 51535 1 220 . 1 . 1 111 111 ALA N N 15 123.82 0.20 . 1 . . . . . 111 ALA N . 51535 1 221 . 1 . 1 112 112 ALA H H 1 8.30 0.03 . 1 . . . . . 112 ALA H . 51535 1 222 . 1 . 1 112 112 ALA CA C 13 35.77 0.20 . 1 . . . . . 112 ALA CA . 51535 1 223 . 1 . 1 112 112 ALA N N 15 123.13 0.20 . 1 . . . . . 112 ALA N . 51535 1 224 . 1 . 1 113 113 ALA H H 1 8.22 0.03 . 1 . . . . . 113 ALA H . 51535 1 225 . 1 . 1 113 113 ALA CA C 13 52.65 0.20 . 1 . . . . . 113 ALA CA . 51535 1 226 . 1 . 1 113 113 ALA CB C 13 18.50 0.20 . 1 . . . . . 113 ALA CB . 51535 1 227 . 1 . 1 113 113 ALA N N 15 123.07 0.20 . 1 . . . . . 113 ALA N . 51535 1 228 . 1 . 1 114 114 GLY H H 1 8.32 0.03 . 1 . . . . . 114 GLY H . 51535 1 229 . 1 . 1 114 114 GLY CA C 13 45.20 0.20 . 1 . . . . . 114 GLY CA . 51535 1 230 . 1 . 1 114 114 GLY N N 15 107.84 0.20 . 1 . . . . . 114 GLY N . 51535 1 231 . 1 . 1 117 117 SER H H 1 8.46 0.03 . 1 . . . . . 117 SER H . 51535 1 232 . 1 . 1 117 117 SER CA C 13 58.59 0.20 . 1 . . . . . 117 SER CA . 51535 1 233 . 1 . 1 117 117 SER CB C 13 63.84 0.20 . 1 . . . . . 117 SER CB . 51535 1 234 . 1 . 1 117 117 SER N N 15 115.54 0.20 . 1 . . . . . 117 SER N . 51535 1 235 . 1 . 1 118 118 GLY H H 1 8.48 0.03 . 1 . . . . . 118 GLY H . 51535 1 236 . 1 . 1 118 118 GLY CA C 13 45.38 0.20 . 1 . . . . . 118 GLY CA . 51535 1 237 . 1 . 1 118 118 GLY N N 15 110.92 0.20 . 1 . . . . . 118 GLY N . 51535 1 238 . 1 . 1 120 120 SER H H 1 8.55 0.03 . 1 . . . . . 120 SER H . 51535 1 239 . 1 . 1 120 120 SER CA C 13 58.32 0.20 . 1 . . . . . 120 SER CA . 51535 1 240 . 1 . 1 120 120 SER CB C 13 63.80 0.20 . 1 . . . . . 120 SER CB . 51535 1 241 . 1 . 1 120 120 SER N N 15 119.57 0.20 . 1 . . . . . 120 SER N . 51535 1 242 . 1 . 1 121 121 LEU H H 1 8.39 0.03 . 1 . . . . . 121 LEU H . 51535 1 243 . 1 . 1 121 121 LEU CA C 13 55.43 0.20 . 1 . . . . . 121 LEU CA . 51535 1 244 . 1 . 1 121 121 LEU CB C 13 42.02 0.20 . 1 . . . . . 121 LEU CB . 51535 1 245 . 1 . 1 121 121 LEU N N 15 123.86 0.20 . 1 . . . . . 121 LEU N . 51535 1 246 . 1 . 1 122 122 GLY H H 1 8.41 0.03 . 1 . . . . . 122 GLY H . 51535 1 247 . 1 . 1 122 122 GLY CA C 13 45.44 0.20 . 1 . . . . . 122 GLY CA . 51535 1 248 . 1 . 1 122 122 GLY N N 15 109.39 0.20 . 1 . . . . . 122 GLY N . 51535 1 249 . 1 . 1 123 123 GLY H H 1 8.29 0.03 . 1 . . . . . 123 GLY H . 51535 1 250 . 1 . 1 123 123 GLY CA C 13 45.16 0.20 . 1 . . . . . 123 GLY CA . 51535 1 251 . 1 . 1 123 123 GLY N N 15 108.63 0.20 . 1 . . . . . 123 GLY N . 51535 1 252 . 1 . 1 127 127 GLY H H 1 8.47 0.03 . 1 . . . . . 127 GLY H . 51535 1 253 . 1 . 1 127 127 GLY CA C 13 45.42 0.20 . 1 . . . . . 127 GLY CA . 51535 1 254 . 1 . 1 127 127 GLY N N 15 110.75 0.20 . 1 . . . . . 127 GLY N . 51535 1 255 . 1 . 1 128 128 SER H H 1 8.04 0.03 . 1 . . . . . 128 SER H . 51535 1 256 . 1 . 1 128 128 SER CB C 13 62.39 0.20 . 1 . . . . . 128 SER CB . 51535 1 257 . 1 . 1 128 128 SER N N 15 119.29 0.20 . 1 . . . . . 128 SER N . 51535 1 258 . 1 . 1 129 129 ILE H H 1 8.25 0.03 . 1 . . . . . 129 ILE H . 51535 1 259 . 1 . 1 129 129 ILE CA C 13 61.43 0.20 . 1 . . . . . 129 ILE CA . 51535 1 260 . 1 . 1 129 129 ILE CB C 13 38.63 0.20 . 1 . . . . . 129 ILE CB . 51535 1 261 . 1 . 1 129 129 ILE N N 15 122.72 0.20 . 1 . . . . . 129 ILE N . 51535 1 262 . 1 . 1 130 130 GLU H H 1 8.53 0.03 . 1 . . . . . 130 GLU H . 51535 1 263 . 1 . 1 130 130 GLU CA C 13 56.83 0.20 . 1 . . . . . 130 GLU CA . 51535 1 264 . 1 . 1 130 130 GLU CB C 13 29.89 0.20 . 1 . . . . . 130 GLU CB . 51535 1 265 . 1 . 1 130 130 GLU N N 15 124.97 0.20 . 1 . . . . . 130 GLU N . 51535 1 266 . 1 . 1 131 131 ARG H H 1 8.43 0.03 . 1 . . . . . 131 ARG H . 51535 1 267 . 1 . 1 131 131 ARG CA C 13 54.35 0.20 . 1 . . . . . 131 ARG CA . 51535 1 268 . 1 . 1 131 131 ARG CB C 13 30.71 0.20 . 1 . . . . . 131 ARG CB . 51535 1 269 . 1 . 1 131 131 ARG N N 15 122.44 0.20 . 1 . . . . . 131 ARG N . 51535 1 270 . 1 . 1 132 132 GLY H H 1 8.44 0.03 . 1 . . . . . 132 GLY H . 51535 1 271 . 1 . 1 132 132 GLY N N 15 109.62 0.20 . 1 . . . . . 132 GLY N . 51535 1 272 . 1 . 1 133 133 LEU H H 1 8.11 0.03 . 1 . . . . . 133 LEU H . 51535 1 273 . 1 . 1 133 133 LEU CA C 13 54.74 0.20 . 1 . . . . . 133 LEU CA . 51535 1 274 . 1 . 1 133 133 LEU CB C 13 42.47 0.20 . 1 . . . . . 133 LEU CB . 51535 1 275 . 1 . 1 133 133 LEU N N 15 121.50 0.20 . 1 . . . . . 133 LEU N . 51535 1 276 . 1 . 1 134 134 ALA H H 1 8.29 0.03 . 1 . . . . . 134 ALA H . 51535 1 277 . 1 . 1 134 134 ALA CA C 13 50.55 0.20 . 1 . . . . . 134 ALA CA . 51535 1 278 . 1 . 1 134 134 ALA CB C 13 18.03 0.20 . 1 . . . . . 134 ALA CB . 51535 1 279 . 1 . 1 134 134 ALA N N 15 126.41 0.20 . 1 . . . . . 134 ALA N . 51535 1 280 . 1 . 1 137 137 ASN H H 1 8.23 0.03 . 1 . . . . . 137 ASN H . 51535 1 281 . 1 . 1 137 137 ASN CA C 13 54.37 0.20 . 1 . . . . . 137 ASN CA . 51535 1 282 . 1 . 1 137 137 ASN CB C 13 39.02 0.20 . 1 . . . . . 137 ASN CB . 51535 1 283 . 1 . 1 137 137 ASN N N 15 120.45 0.20 . 1 . . . . . 137 ASN N . 51535 1 284 . 1 . 1 138 138 ASN H H 1 8.18 0.03 . 1 . . . . . 138 ASN H . 51535 1 285 . 1 . 1 138 138 ASN CA C 13 53.09 0.20 . 1 . . . . . 138 ASN CA . 51535 1 286 . 1 . 1 138 138 ASN CB C 13 41.66 0.20 . 1 . . . . . 138 ASN CB . 51535 1 287 . 1 . 1 138 138 ASN N N 15 123.07 0.20 . 1 . . . . . 138 ASN N . 51535 1 288 . 1 . 1 139 139 ILE H H 1 8.12 0.03 . 1 . . . . . 139 ILE H . 51535 1 289 . 1 . 1 139 139 ILE CA C 13 61.84 0.20 . 1 . . . . . 139 ILE CA . 51535 1 290 . 1 . 1 139 139 ILE N N 15 120.87 0.20 . 1 . . . . . 139 ILE N . 51535 1 291 . 1 . 1 140 140 GLY H H 1 8.50 0.03 . 1 . . . . . 140 GLY H . 51535 1 292 . 1 . 1 140 140 GLY CA C 13 45.38 0.20 . 1 . . . . . 140 GLY CA . 51535 1 293 . 1 . 1 140 140 GLY N N 15 112.48 0.20 . 1 . . . . . 140 GLY N . 51535 1 294 . 1 . 1 141 141 ALA H H 1 8.10 0.03 . 1 . . . . . 141 ALA H . 51535 1 295 . 1 . 1 141 141 ALA CA C 13 52.63 0.20 . 1 . . . . . 141 ALA CA . 51535 1 296 . 1 . 1 141 141 ALA CB C 13 19.22 0.20 . 1 . . . . . 141 ALA CB . 51535 1 297 . 1 . 1 141 141 ALA N N 15 123.59 0.20 . 1 . . . . . 141 ALA N . 51535 1 298 . 1 . 1 142 142 MET H H 1 8.34 0.03 . 1 . . . . . 142 MET H . 51535 1 299 . 1 . 1 142 142 MET CA C 13 55.48 0.20 . 1 . . . . . 142 MET CA . 51535 1 300 . 1 . 1 142 142 MET CB C 13 32.47 0.20 . 1 . . . . . 142 MET CB . 51535 1 301 . 1 . 1 142 142 MET N N 15 119.08 0.20 . 1 . . . . . 142 MET N . 51535 1 302 . 1 . 1 143 143 MET H H 1 8.35 0.03 . 1 . . . . . 143 MET H . 51535 1 303 . 1 . 1 143 143 MET CA C 13 55.54 0.20 . 1 . . . . . 143 MET CA . 51535 1 304 . 1 . 1 143 143 MET CB C 13 32.06 0.20 . 1 . . . . . 143 MET CB . 51535 1 305 . 1 . 1 143 143 MET N N 15 121.42 0.20 . 1 . . . . . 143 MET N . 51535 1 306 . 1 . 1 144 144 GLY H H 1 8.44 0.03 . 1 . . . . . 144 GLY H . 51535 1 307 . 1 . 1 144 144 GLY CA C 13 45.12 0.20 . 1 . . . . . 144 GLY CA . 51535 1 308 . 1 . 1 144 144 GLY N N 15 110.27 0.20 . 1 . . . . . 144 GLY N . 51535 1 309 . 1 . 1 145 145 VAL H H 1 8.02 0.03 . 1 . . . . . 145 VAL H . 51535 1 310 . 1 . 1 145 145 VAL CA C 13 62.20 0.20 . 1 . . . . . 145 VAL CA . 51535 1 311 . 1 . 1 145 145 VAL CB C 13 32.74 0.20 . 1 . . . . . 145 VAL CB . 51535 1 312 . 1 . 1 145 145 VAL N N 15 119.77 0.20 . 1 . . . . . 145 VAL N . 51535 1 313 . 1 . 1 146 146 GLN H H 1 8.58 0.03 . 1 . . . . . 146 GLN H . 51535 1 314 . 1 . 1 146 146 GLN CA C 13 53.24 0.20 . 1 . . . . . 146 GLN CA . 51535 1 315 . 1 . 1 146 146 GLN CB C 13 28.92 0.20 . 1 . . . . . 146 GLN CB . 51535 1 316 . 1 . 1 146 146 GLN N N 15 126.75 0.20 . 1 . . . . . 146 GLN N . 51535 1 stop_ save_