data_51538 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51538 _Entry.Title ; Backbone assignment for Functional Amyloid in pseudomonas FapB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-01 _Entry.Accession_date 2022-08-01 _Entry.Last_release_date 2022-08-01 _Entry.Original_release_date 2022-08-01 _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 Lee Sewell . . . . 51538 2 Fisentzos Stylianou . . . . 51538 3 Yingqi Xu . . . . 51538 4 Steve Matthews . . . . 51538 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' . 51538 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51538 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 51538 '15N chemical shifts' 158 51538 '1H chemical shifts' 158 51538 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 . 51538 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51535 'Functional Amyloid in pseudomonas FapA' 51538 BMRB 51539 'Functional Amyloid in pseudomonas FapC' 51538 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51538 _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 Rasmussen . . . . 51538 1 2 Amit Kumar . . . . 51538 1 3 Ben Shin . . . . 51538 1 4 Fisentzos Stylianou . . . . 51538 1 5 Lee Sewell . . . . 51538 1 6 Yingqi Xu . . . . 51538 1 7 Daniel Otzen . . . . 51538 1 8 Jan Pedersen . . . . 51538 1 9 Steve Matthews . . . . 51538 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51538 _Assembly.ID 1 _Assembly.Name FapB _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 FapB 1 $entity_1 . . yes native no no . . . 51538 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51538 _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 ; MSHHHHHHGTDSNNQALIDN AGKQYTGVLSVNQAAGNQHQ QINSRAISLGGQASDALIQK LDGKVDPSLNASAAIQGSAF SNGNGILGVNQSAGANNQMI NAVRISTGPQSVDDNVLSQQ NMTLLPDSRSPSTTGSRQVV TSDQAFTGSRGVVQVNQSAG VGNRMANTLGVTIK ; _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 174 _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 . 51538 1 2 . SER . 51538 1 3 . HIS . 51538 1 4 . HIS . 51538 1 5 . HIS . 51538 1 6 . HIS . 51538 1 7 . HIS . 51538 1 8 . HIS . 51538 1 9 . GLY . 51538 1 10 . THR . 51538 1 11 . ASP . 51538 1 12 . SER . 51538 1 13 . ASN . 51538 1 14 . ASN . 51538 1 15 . GLN . 51538 1 16 . ALA . 51538 1 17 . LEU . 51538 1 18 . ILE . 51538 1 19 . ASP . 51538 1 20 . ASN . 51538 1 21 . ALA . 51538 1 22 . GLY . 51538 1 23 . LYS . 51538 1 24 . GLN . 51538 1 25 . TYR . 51538 1 26 . THR . 51538 1 27 . GLY . 51538 1 28 . VAL . 51538 1 29 . LEU . 51538 1 30 . SER . 51538 1 31 . VAL . 51538 1 32 . ASN . 51538 1 33 . GLN . 51538 1 34 . ALA . 51538 1 35 . ALA . 51538 1 36 . GLY . 51538 1 37 . ASN . 51538 1 38 . GLN . 51538 1 39 . HIS . 51538 1 40 . GLN . 51538 1 41 . GLN . 51538 1 42 . ILE . 51538 1 43 . ASN . 51538 1 44 . SER . 51538 1 45 . ARG . 51538 1 46 . ALA . 51538 1 47 . ILE . 51538 1 48 . SER . 51538 1 49 . LEU . 51538 1 50 . GLY . 51538 1 51 . GLY . 51538 1 52 . GLN . 51538 1 53 . ALA . 51538 1 54 . SER . 51538 1 55 . ASP . 51538 1 56 . ALA . 51538 1 57 . LEU . 51538 1 58 . ILE . 51538 1 59 . GLN . 51538 1 60 . LYS . 51538 1 61 . LEU . 51538 1 62 . ASP . 51538 1 63 . GLY . 51538 1 64 . LYS . 51538 1 65 . VAL . 51538 1 66 . ASP . 51538 1 67 . PRO . 51538 1 68 . SER . 51538 1 69 . LEU . 51538 1 70 . ASN . 51538 1 71 . ALA . 51538 1 72 . SER . 51538 1 73 . ALA . 51538 1 74 . ALA . 51538 1 75 . ILE . 51538 1 76 . GLN . 51538 1 77 . GLY . 51538 1 78 . SER . 51538 1 79 . ALA . 51538 1 80 . PHE . 51538 1 81 . SER . 51538 1 82 . ASN . 51538 1 83 . GLY . 51538 1 84 . ASN . 51538 1 85 . GLY . 51538 1 86 . ILE . 51538 1 87 . LEU . 51538 1 88 . GLY . 51538 1 89 . VAL . 51538 1 90 . ASN . 51538 1 91 . GLN . 51538 1 92 . SER . 51538 1 93 . ALA . 51538 1 94 . GLY . 51538 1 95 . ALA . 51538 1 96 . ASN . 51538 1 97 . ASN . 51538 1 98 . GLN . 51538 1 99 . MET . 51538 1 100 . ILE . 51538 1 101 . ASN . 51538 1 102 . ALA . 51538 1 103 . VAL . 51538 1 104 . ARG . 51538 1 105 . ILE . 51538 1 106 . SER . 51538 1 107 . THR . 51538 1 108 . GLY . 51538 1 109 . PRO . 51538 1 110 . GLN . 51538 1 111 . SER . 51538 1 112 . VAL . 51538 1 113 . ASP . 51538 1 114 . ASP . 51538 1 115 . ASN . 51538 1 116 . VAL . 51538 1 117 . LEU . 51538 1 118 . SER . 51538 1 119 . GLN . 51538 1 120 . GLN . 51538 1 121 . ASN . 51538 1 122 . MET . 51538 1 123 . THR . 51538 1 124 . LEU . 51538 1 125 . LEU . 51538 1 126 . PRO . 51538 1 127 . ASP . 51538 1 128 . SER . 51538 1 129 . ARG . 51538 1 130 . SER . 51538 1 131 . PRO . 51538 1 132 . SER . 51538 1 133 . THR . 51538 1 134 . THR . 51538 1 135 . GLY . 51538 1 136 . SER . 51538 1 137 . ARG . 51538 1 138 . GLN . 51538 1 139 . VAL . 51538 1 140 . VAL . 51538 1 141 . THR . 51538 1 142 . SER . 51538 1 143 . ASP . 51538 1 144 . GLN . 51538 1 145 . ALA . 51538 1 146 . PHE . 51538 1 147 . THR . 51538 1 148 . GLY . 51538 1 149 . SER . 51538 1 150 . ARG . 51538 1 151 . GLY . 51538 1 152 . VAL . 51538 1 153 . VAL . 51538 1 154 . GLN . 51538 1 155 . VAL . 51538 1 156 . ASN . 51538 1 157 . GLN . 51538 1 158 . SER . 51538 1 159 . ALA . 51538 1 160 . GLY . 51538 1 161 . VAL . 51538 1 162 . GLY . 51538 1 163 . ASN . 51538 1 164 . ARG . 51538 1 165 . MET . 51538 1 166 . ALA . 51538 1 167 . ASN . 51538 1 168 . THR . 51538 1 169 . LEU . 51538 1 170 . GLY . 51538 1 171 . VAL . 51538 1 172 . THR . 51538 1 173 . ILE . 51538 1 174 . LYS . 51538 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 51538 1 . SER 2 2 51538 1 . HIS 3 3 51538 1 . HIS 4 4 51538 1 . HIS 5 5 51538 1 . HIS 6 6 51538 1 . HIS 7 7 51538 1 . HIS 8 8 51538 1 . GLY 9 9 51538 1 . THR 10 10 51538 1 . ASP 11 11 51538 1 . SER 12 12 51538 1 . ASN 13 13 51538 1 . ASN 14 14 51538 1 . GLN 15 15 51538 1 . ALA 16 16 51538 1 . LEU 17 17 51538 1 . ILE 18 18 51538 1 . ASP 19 19 51538 1 . ASN 20 20 51538 1 . ALA 21 21 51538 1 . GLY 22 22 51538 1 . LYS 23 23 51538 1 . GLN 24 24 51538 1 . TYR 25 25 51538 1 . THR 26 26 51538 1 . GLY 27 27 51538 1 . VAL 28 28 51538 1 . LEU 29 29 51538 1 . SER 30 30 51538 1 . VAL 31 31 51538 1 . ASN 32 32 51538 1 . GLN 33 33 51538 1 . ALA 34 34 51538 1 . ALA 35 35 51538 1 . GLY 36 36 51538 1 . ASN 37 37 51538 1 . GLN 38 38 51538 1 . HIS 39 39 51538 1 . GLN 40 40 51538 1 . GLN 41 41 51538 1 . ILE 42 42 51538 1 . ASN 43 43 51538 1 . SER 44 44 51538 1 . ARG 45 45 51538 1 . ALA 46 46 51538 1 . ILE 47 47 51538 1 . SER 48 48 51538 1 . LEU 49 49 51538 1 . GLY 50 50 51538 1 . GLY 51 51 51538 1 . GLN 52 52 51538 1 . ALA 53 53 51538 1 . SER 54 54 51538 1 . ASP 55 55 51538 1 . ALA 56 56 51538 1 . LEU 57 57 51538 1 . ILE 58 58 51538 1 . GLN 59 59 51538 1 . LYS 60 60 51538 1 . LEU 61 61 51538 1 . ASP 62 62 51538 1 . GLY 63 63 51538 1 . LYS 64 64 51538 1 . VAL 65 65 51538 1 . ASP 66 66 51538 1 . PRO 67 67 51538 1 . SER 68 68 51538 1 . LEU 69 69 51538 1 . ASN 70 70 51538 1 . ALA 71 71 51538 1 . SER 72 72 51538 1 . ALA 73 73 51538 1 . ALA 74 74 51538 1 . ILE 75 75 51538 1 . GLN 76 76 51538 1 . GLY 77 77 51538 1 . SER 78 78 51538 1 . ALA 79 79 51538 1 . PHE 80 80 51538 1 . SER 81 81 51538 1 . ASN 82 82 51538 1 . GLY 83 83 51538 1 . ASN 84 84 51538 1 . GLY 85 85 51538 1 . ILE 86 86 51538 1 . LEU 87 87 51538 1 . GLY 88 88 51538 1 . VAL 89 89 51538 1 . ASN 90 90 51538 1 . GLN 91 91 51538 1 . SER 92 92 51538 1 . ALA 93 93 51538 1 . GLY 94 94 51538 1 . ALA 95 95 51538 1 . ASN 96 96 51538 1 . ASN 97 97 51538 1 . GLN 98 98 51538 1 . MET 99 99 51538 1 . ILE 100 100 51538 1 . ASN 101 101 51538 1 . ALA 102 102 51538 1 . VAL 103 103 51538 1 . ARG 104 104 51538 1 . ILE 105 105 51538 1 . SER 106 106 51538 1 . THR 107 107 51538 1 . GLY 108 108 51538 1 . PRO 109 109 51538 1 . GLN 110 110 51538 1 . SER 111 111 51538 1 . VAL 112 112 51538 1 . ASP 113 113 51538 1 . ASP 114 114 51538 1 . ASN 115 115 51538 1 . VAL 116 116 51538 1 . LEU 117 117 51538 1 . SER 118 118 51538 1 . GLN 119 119 51538 1 . GLN 120 120 51538 1 . ASN 121 121 51538 1 . MET 122 122 51538 1 . THR 123 123 51538 1 . LEU 124 124 51538 1 . LEU 125 125 51538 1 . PRO 126 126 51538 1 . ASP 127 127 51538 1 . SER 128 128 51538 1 . ARG 129 129 51538 1 . SER 130 130 51538 1 . PRO 131 131 51538 1 . SER 132 132 51538 1 . THR 133 133 51538 1 . THR 134 134 51538 1 . GLY 135 135 51538 1 . SER 136 136 51538 1 . ARG 137 137 51538 1 . GLN 138 138 51538 1 . VAL 139 139 51538 1 . VAL 140 140 51538 1 . THR 141 141 51538 1 . SER 142 142 51538 1 . ASP 143 143 51538 1 . GLN 144 144 51538 1 . ALA 145 145 51538 1 . PHE 146 146 51538 1 . THR 147 147 51538 1 . GLY 148 148 51538 1 . SER 149 149 51538 1 . ARG 150 150 51538 1 . GLY 151 151 51538 1 . VAL 152 152 51538 1 . VAL 153 153 51538 1 . GLN 154 154 51538 1 . VAL 155 155 51538 1 . ASN 156 156 51538 1 . GLN 157 157 51538 1 . SER 158 158 51538 1 . ALA 159 159 51538 1 . GLY 160 160 51538 1 . VAL 161 161 51538 1 . GLY 162 162 51538 1 . ASN 163 163 51538 1 . ARG 164 164 51538 1 . MET 165 165 51538 1 . ALA 166 166 51538 1 . ASN 167 167 51538 1 . THR 168 168 51538 1 . LEU 169 169 51538 1 . GLY 170 170 51538 1 . VAL 171 171 51538 1 . THR 172 172 51538 1 . ILE 173 173 51538 1 . LYS 174 174 51538 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 51538 _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 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 51538 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 51538 _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 . . pET28a . . . 51538 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51538 _Sample.ID 1 _Sample.Name FapB _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 FapB '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 51538 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 51538 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _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' 20 . mM 51538 1 pH 6.5 . pH 51538 1 pressure 1 . atm 51538 1 temperature 283 . K 51538 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51538 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51538 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 51538 _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_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51538 _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-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51538 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51538 1 3 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51538 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51538 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51538 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 51538 _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 . . . . . 51538 1 H 1 water protons . . . . ppm 4.916 internal direct 1 . . . . . 51538 1 N 15 water protons . . . . ppm 4.916 internal indirect 0.101329118 . . . . . 51538 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 51538 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FapB _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 2 '3D HNCACB' . . . 51538 1 3 '3D HN(CO)CACB' . . . 51538 1 4 '3D HNCO' . . . 51538 1 5 '3D HN(CA)CO' . . . 51538 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 . . 51538 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 10 10 THR H H 1 8.236 0.02 . 1 . . . . . 10 THR HN . 51538 1 2 . 1 . 1 10 10 THR CA C 13 61.87 0.15 . 1 . . . . . 10 THR CA . 51538 1 3 . 1 . 1 10 10 THR CB C 13 69.87 0.15 . 1 . . . . . 10 THR CB . 51538 1 4 . 1 . 1 10 10 THR N N 15 113.5 0.15 . 1 . . . . . 10 THR N . 51538 1 5 . 1 . 1 11 11 ASP H H 1 8.518 0.02 . 1 . . . . . 11 ASP HN . 51538 1 6 . 1 . 1 11 11 ASP CA C 13 54.37 0.15 . 1 . . . . . 11 ASP CA . 51538 1 7 . 1 . 1 11 11 ASP CB C 13 41.14 0.15 . 1 . . . . . 11 ASP CB . 51538 1 8 . 1 . 1 11 11 ASP N N 15 122.8 0.15 . 1 . . . . . 11 ASP N . 51538 1 9 . 1 . 1 12 12 SER H H 1 8.369 0.02 . 1 . . . . . 12 SER HN . 51538 1 10 . 1 . 1 12 12 SER CA C 13 59.02 0.15 . 1 . . . . . 12 SER CA . 51538 1 11 . 1 . 1 12 12 SER CB C 13 63.52 0.15 . 1 . . . . . 12 SER CB . 51538 1 12 . 1 . 1 12 12 SER N N 15 116.5 0.15 . 1 . . . . . 12 SER N . 51538 1 13 . 1 . 1 13 13 ASN H H 1 8.501 0.02 . 1 . . . . . 13 ASN HN . 51538 1 14 . 1 . 1 13 13 ASN CA C 13 53.5 0.15 . 1 . . . . . 13 ASN CA . 51538 1 15 . 1 . 1 13 13 ASN N N 15 120.4 0.15 . 1 . . . . . 13 ASN N . 51538 1 16 . 1 . 1 14 14 ASN H H 1 8.316 0.02 . 1 . . . . . 14 ASN HN . 51538 1 17 . 1 . 1 14 14 ASN CA C 13 53.68 0.15 . 1 . . . . . 14 ASN CA . 51538 1 18 . 1 . 1 14 14 ASN CB C 13 38.59 0.15 . 1 . . . . . 14 ASN CB . 51538 1 19 . 1 . 1 14 14 ASN N N 15 119 0.15 . 1 . . . . . 14 ASN N . 51538 1 20 . 1 . 1 15 15 GLN H H 1 8.399 0.02 . 1 . . . . . 15 GLN HN . 51538 1 21 . 1 . 1 15 15 GLN CA C 13 56.37 0.15 . 1 . . . . . 15 GLN CA . 51538 1 22 . 1 . 1 15 15 GLN CB C 13 29.05 0.15 . 1 . . . . . 15 GLN CB . 51538 1 23 . 1 . 1 15 15 GLN N N 15 120.9 0.15 . 1 . . . . . 15 GLN N . 51538 1 24 . 1 . 1 16 16 ALA H H 1 8.239 0.02 . 1 . . . . . 16 ALA HN . 51538 1 25 . 1 . 1 16 16 ALA CA C 13 53.05 0.15 . 1 . . . . . 16 ALA CA . 51538 1 26 . 1 . 1 16 16 ALA CB C 13 18.76 0.15 . 1 . . . . . 16 ALA CB . 51538 1 27 . 1 . 1 16 16 ALA N N 15 123.8 0.15 . 1 . . . . . 16 ALA N . 51538 1 28 . 1 . 1 17 17 LEU H H 1 8.026 0.02 . 1 . . . . . 17 LEU HN . 51538 1 29 . 1 . 1 17 17 LEU CA C 13 55.48 0.15 . 1 . . . . . 17 LEU CA . 51538 1 30 . 1 . 1 17 17 LEU CB C 13 42.04 0.15 . 1 . . . . . 17 LEU CB . 51538 1 31 . 1 . 1 17 17 LEU N N 15 120.5 0.15 . 1 . . . . . 17 LEU N . 51538 1 32 . 1 . 1 18 18 ILE H H 1 7.978 0.02 . 1 . . . . . 18 ILE HN . 51538 1 33 . 1 . 1 18 18 ILE CA C 13 61.36 0.15 . 1 . . . . . 18 ILE CA . 51538 1 34 . 1 . 1 18 18 ILE CB C 13 38.69 0.15 . 1 . . . . . 18 ILE CB . 51538 1 35 . 1 . 1 18 18 ILE N N 15 121.5 0.15 . 1 . . . . . 18 ILE N . 51538 1 36 . 1 . 1 19 19 ASP H H 1 8.484 0.02 . 1 . . . . . 19 ASP HN . 51538 1 37 . 1 . 1 19 19 ASP CA C 13 54.52 0.15 . 1 . . . . . 19 ASP CA . 51538 1 38 . 1 . 1 19 19 ASP CB C 13 41.06 0.15 . 1 . . . . . 19 ASP CB . 51538 1 39 . 1 . 1 19 19 ASP N N 15 124.1 0.15 . 1 . . . . . 19 ASP N . 51538 1 40 . 1 . 1 20 20 ASN H H 1 8.383 0.02 . 1 . . . . . 20 ASN HN . 51538 1 41 . 1 . 1 20 20 ASN CA C 13 53.73 0.15 . 1 . . . . . 20 ASN CA . 51538 1 42 . 1 . 1 20 20 ASN CB C 13 38.75 0.15 . 1 . . . . . 20 ASN CB . 51538 1 43 . 1 . 1 20 20 ASN N N 15 119.5 0.15 . 1 . . . . . 20 ASN N . 51538 1 44 . 1 . 1 21 21 ALA H H 1 8.246 0.02 . 1 . . . . . 21 ALA HN . 51538 1 45 . 1 . 1 21 21 ALA CA C 13 53.33 0.15 . 1 . . . . . 21 ALA CA . 51538 1 46 . 1 . 1 21 21 ALA CB C 13 18.8 0.15 . 1 . . . . . 21 ALA CB . 51538 1 47 . 1 . 1 21 21 ALA N N 15 123.6 0.15 . 1 . . . . . 21 ALA N . 51538 1 48 . 1 . 1 22 22 GLY H H 1 8.355 0.02 . 1 . . . . . 22 GLY HN . 51538 1 49 . 1 . 1 22 22 GLY CA C 13 45.5 0.15 . 1 . . . . . 22 GLY CA . 51538 1 50 . 1 . 1 22 22 GLY N N 15 107.5 0.15 . 1 . . . . . 22 GLY N . 51538 1 51 . 1 . 1 23 23 LYS H H 1 8.051 0.02 . 1 . . . . . 23 LYS HN . 51538 1 52 . 1 . 1 23 23 LYS CA C 13 56.26 0.15 . 1 . . . . . 23 LYS CA . 51538 1 53 . 1 . 1 23 23 LYS CB C 13 32.81 0.15 . 1 . . . . . 23 LYS CB . 51538 1 54 . 1 . 1 23 23 LYS N N 15 120.8 0.15 . 1 . . . . . 23 LYS N . 51538 1 55 . 1 . 1 24 24 GLN H H 1 8.421 0.02 . 1 . . . . . 24 GLN HN . 51538 1 56 . 1 . 1 24 24 GLN CA C 13 55.59 0.15 . 1 . . . . . 24 GLN CA . 51538 1 57 . 1 . 1 24 24 GLN CB C 13 29.37 0.15 . 1 . . . . . 24 GLN CB . 51538 1 58 . 1 . 1 24 24 GLN N N 15 121.1 0.15 . 1 . . . . . 24 GLN N . 51538 1 59 . 1 . 1 25 25 TYR H H 1 8.402 0.02 . 1 . . . . . 25 TYR HN . 51538 1 60 . 1 . 1 25 25 TYR CA C 13 57.94 0.15 . 1 . . . . . 25 TYR CA . 51538 1 61 . 1 . 1 25 25 TYR CB C 13 38.87 0.15 . 1 . . . . . 25 TYR CB . 51538 1 62 . 1 . 1 25 25 TYR N N 15 122.1 0.15 . 1 . . . . . 25 TYR N . 51538 1 63 . 1 . 1 26 26 THR H H 1 8.177 0.02 . 1 . . . . . 26 THR HN . 51538 1 64 . 1 . 1 26 26 THR CA C 13 61.58 0.15 . 1 . . . . . 26 THR CA . 51538 1 65 . 1 . 1 26 26 THR CB C 13 69.88 0.15 . 1 . . . . . 26 THR CB . 51538 1 66 . 1 . 1 26 26 THR N N 15 116.2 0.15 . 1 . . . . . 26 THR N . 51538 1 67 . 1 . 1 27 27 GLY H H 1 7.751 0.02 . 1 . . . . . 27 GLY HN . 51538 1 68 . 1 . 1 27 27 GLY CA C 13 45.18 0.15 . 1 . . . . . 27 GLY CA . 51538 1 69 . 1 . 1 27 27 GLY N N 15 110.7 0.15 . 1 . . . . . 27 GLY N . 51538 1 70 . 1 . 1 28 28 VAL H H 1 8.059 0.02 . 1 . . . . . 28 VAL HN . 51538 1 71 . 1 . 1 28 28 VAL CA C 13 62.33 0.15 . 1 . . . . . 28 VAL CA . 51538 1 72 . 1 . 1 28 28 VAL CB C 13 32.69 0.15 . 1 . . . . . 28 VAL CB . 51538 1 73 . 1 . 1 28 28 VAL N N 15 119.3 0.15 . 1 . . . . . 28 VAL N . 51538 1 74 . 1 . 1 29 29 LEU H H 1 8.438 0.02 . 1 . . . . . 29 LEU HN . 51538 1 75 . 1 . 1 29 29 LEU CA C 13 55.05 0.15 . 1 . . . . . 29 LEU CA . 51538 1 76 . 1 . 1 29 29 LEU CB C 13 42.36 0.15 . 1 . . . . . 29 LEU CB . 51538 1 77 . 1 . 1 29 29 LEU N N 15 126.2 0.15 . 1 . . . . . 29 LEU N . 51538 1 78 . 1 . 1 30 30 SER H H 1 8.378 0.02 . 1 . . . . . 30 SER HN . 51538 1 79 . 1 . 1 30 30 SER CA C 13 58.19 0.15 . 1 . . . . . 30 SER CA . 51538 1 80 . 1 . 1 30 30 SER CB C 13 63.78 0.15 . 1 . . . . . 30 SER CB . 51538 1 81 . 1 . 1 30 30 SER N N 15 117.5 0.15 . 1 . . . . . 30 SER N . 51538 1 82 . 1 . 1 31 31 VAL H H 1 8.218 0.02 . 1 . . . . . 31 VAL HN . 51538 1 83 . 1 . 1 31 31 VAL CA C 13 62.53 0.15 . 1 . . . . . 31 VAL CA . 51538 1 84 . 1 . 1 31 31 VAL CB C 13 32.63 0.15 . 1 . . . . . 31 VAL CB . 51538 1 85 . 1 . 1 31 31 VAL N N 15 121.6 0.15 . 1 . . . . . 31 VAL N . 51538 1 86 . 1 . 1 32 32 ASN H H 1 8.498 0.02 . 1 . . . . . 32 ASN HN . 51538 1 87 . 1 . 1 32 32 ASN CA C 13 53.37 0.15 . 1 . . . . . 32 ASN CA . 51538 1 88 . 1 . 1 32 32 ASN CB C 13 38.66 0.15 . 1 . . . . . 32 ASN CB . 51538 1 89 . 1 . 1 32 32 ASN N N 15 121.6 0.15 . 1 . . . . . 32 ASN N . 51538 1 90 . 1 . 1 33 33 GLN H H 1 8.397 0.02 . 1 . . . . . 33 GLN HN . 51538 1 91 . 1 . 1 33 33 GLN CA C 13 56.16 0.15 . 1 . . . . . 33 GLN CA . 51538 1 92 . 1 . 1 33 33 GLN CB C 13 29.33 0.15 . 1 . . . . . 33 GLN CB . 51538 1 93 . 1 . 1 33 33 GLN N N 15 121.5 0.15 . 1 . . . . . 33 GLN N . 51538 1 94 . 1 . 1 34 34 ALA H H 1 8.339 0.02 . 1 . . . . . 34 ALA HN . 51538 1 95 . 1 . 1 34 34 ALA CA C 13 52.71 0.15 . 1 . . . . . 34 ALA CA . 51538 1 96 . 1 . 1 34 34 ALA CB C 13 19.03 0.15 . 1 . . . . . 34 ALA CB . 51538 1 97 . 1 . 1 34 34 ALA N N 15 124.9 0.15 . 1 . . . . . 34 ALA N . 51538 1 98 . 1 . 1 35 35 ALA H H 1 8.245 0.02 . 1 . . . . . 35 ALA HN . 51538 1 99 . 1 . 1 35 35 ALA CA C 13 52.78 0.15 . 1 . . . . . 35 ALA CA . 51538 1 100 . 1 . 1 35 35 ALA CB C 13 19.05 0.15 . 1 . . . . . 35 ALA CB . 51538 1 101 . 1 . 1 35 35 ALA N N 15 123.1 0.15 . 1 . . . . . 35 ALA N . 51538 1 102 . 1 . 1 36 36 GLY H H 1 8.336 0.02 . 1 . . . . . 36 GLY HN . 51538 1 103 . 1 . 1 36 36 GLY CA C 13 45.34 0.15 . 1 . . . . . 36 GLY CA . 51538 1 104 . 1 . 1 36 36 GLY N N 15 107.7 0.15 . 1 . . . . . 36 GLY N . 51538 1 105 . 1 . 1 37 37 ASN H H 1 8.325 0.02 . 1 . . . . . 37 ASN HN . 51538 1 106 . 1 . 1 37 37 ASN CA C 13 53.27 0.15 . 1 . . . . . 37 ASN CA . 51538 1 107 . 1 . 1 37 37 ASN CB C 13 38.8 0.15 . 1 . . . . . 37 ASN CB . 51538 1 108 . 1 . 1 37 37 ASN N N 15 118.5 0.15 . 1 . . . . . 37 ASN N . 51538 1 109 . 1 . 1 38 38 GLN H H 1 8.501 0.02 . 1 . . . . . 38 GLN HN . 51538 1 110 . 1 . 1 38 38 GLN CA C 13 56.35 0.15 . 1 . . . . . 38 GLN CA . 51538 1 111 . 1 . 1 38 38 GLN CB C 13 29 0.15 . 1 . . . . . 38 GLN CB . 51538 1 112 . 1 . 1 38 38 GLN N N 15 120.4 0.15 . 1 . . . . . 38 GLN N . 51538 1 113 . 1 . 1 40 40 GLN H H 1 8.282 0.02 . 1 . . . . . 40 GLN HN . 51538 1 114 . 1 . 1 40 40 GLN CA C 13 56.03 0.15 . 1 . . . . . 40 GLN CA . 51538 1 115 . 1 . 1 40 40 GLN CB C 13 29.36 0.15 . 1 . . . . . 40 GLN CB . 51538 1 116 . 1 . 1 40 40 GLN N N 15 121.2 0.15 . 1 . . . . . 40 GLN N . 51538 1 117 . 1 . 1 41 41 GLN H H 1 8.507 0.02 . 1 . . . . . 41 GLN HN . 51538 1 118 . 1 . 1 41 41 GLN CA C 13 55.93 0.15 . 1 . . . . . 41 GLN CA . 51538 1 119 . 1 . 1 41 41 GLN CB C 13 29.31 0.15 . 1 . . . . . 41 GLN CB . 51538 1 120 . 1 . 1 41 41 GLN N N 15 122 0.15 . 1 . . . . . 41 GLN N . 51538 1 121 . 1 . 1 42 42 ILE H H 1 8.325 0.02 . 1 . . . . . 42 ILE HN . 51538 1 122 . 1 . 1 42 42 ILE CA C 13 61.41 0.15 . 1 . . . . . 42 ILE CA . 51538 1 123 . 1 . 1 42 42 ILE CB C 13 38.7 0.15 . 1 . . . . . 42 ILE CB . 51538 1 124 . 1 . 1 42 42 ILE N N 15 122.5 0.15 . 1 . . . . . 42 ILE N . 51538 1 125 . 1 . 1 43 43 ASN H H 1 8.589 0.02 . 1 . . . . . 43 ASN HN . 51538 1 126 . 1 . 1 43 43 ASN CA C 13 53.24 0.15 . 1 . . . . . 43 ASN CA . 51538 1 127 . 1 . 1 43 43 ASN CB C 13 38.77 0.15 . 1 . . . . . 43 ASN CB . 51538 1 128 . 1 . 1 43 43 ASN N N 15 122.7 0.15 . 1 . . . . . 43 ASN N . 51538 1 129 . 1 . 1 44 44 SER H H 1 8.356 0.02 . 1 . . . . . 44 SER HN . 51538 1 130 . 1 . 1 44 44 SER CA C 13 58.77 0.15 . 1 . . . . . 44 SER CA . 51538 1 131 . 1 . 1 44 44 SER CB C 13 63.62 0.15 . 1 . . . . . 44 SER CB . 51538 1 132 . 1 . 1 44 44 SER N N 15 116.9 0.15 . 1 . . . . . 44 SER N . 51538 1 133 . 1 . 1 45 45 ARG H H 1 8.331 0.02 . 1 . . . . . 45 ARG HN . 51538 1 134 . 1 . 1 45 45 ARG CA C 13 56.2 0.15 . 1 . . . . . 45 ARG CA . 51538 1 135 . 1 . 1 45 45 ARG CB C 13 30.59 0.15 . 1 . . . . . 45 ARG CB . 51538 1 136 . 1 . 1 45 45 ARG N N 15 122.7 0.15 . 1 . . . . . 45 ARG N . 51538 1 137 . 1 . 1 46 46 ALA H H 1 8.232 0.02 . 1 . . . . . 46 ALA HN . 51538 1 138 . 1 . 1 46 46 ALA CA C 13 52.67 0.15 . 1 . . . . . 46 ALA CA . 51538 1 139 . 1 . 1 46 46 ALA CB C 13 18.99 0.15 . 1 . . . . . 46 ALA CB . 51538 1 140 . 1 . 1 46 46 ALA N N 15 125 0.15 . 1 . . . . . 46 ALA N . 51538 1 141 . 1 . 1 47 47 ILE H H 1 8.159 0.02 . 1 . . . . . 47 ILE HN . 51538 1 142 . 1 . 1 47 47 ILE CA C 13 61.24 0.15 . 1 . . . . . 47 ILE CA . 51538 1 143 . 1 . 1 47 47 ILE CB C 13 38.82 0.15 . 1 . . . . . 47 ILE CB . 51538 1 144 . 1 . 1 47 47 ILE N N 15 120.4 0.15 . 1 . . . . . 47 ILE N . 51538 1 145 . 1 . 1 48 48 SER H H 1 8.407 0.02 . 1 . . . . . 48 SER HN . 51538 1 146 . 1 . 1 48 48 SER CA C 13 58.16 0.15 . 1 . . . . . 48 SER CA . 51538 1 147 . 1 . 1 48 48 SER CB C 13 63.75 0.15 . 1 . . . . . 48 SER CB . 51538 1 148 . 1 . 1 48 48 SER N N 15 119.8 0.15 . 1 . . . . . 48 SER N . 51538 1 149 . 1 . 1 49 49 LEU H H 1 8.449 0.02 . 1 . . . . . 49 LEU HN . 51538 1 150 . 1 . 1 49 49 LEU CA C 13 55.39 0.15 . 1 . . . . . 49 LEU CA . 51538 1 151 . 1 . 1 49 49 LEU CB C 13 42.26 0.15 . 1 . . . . . 49 LEU CB . 51538 1 152 . 1 . 1 49 49 LEU N N 15 124.9 0.15 . 1 . . . . . 49 LEU N . 51538 1 153 . 1 . 1 50 50 GLY H H 1 8.443 0.02 . 1 . . . . . 50 GLY HN . 51538 1 154 . 1 . 1 50 50 GLY CA C 13 45.38 0.15 . 1 . . . . . 50 GLY CA . 51538 1 155 . 1 . 1 50 50 GLY N N 15 109.4 0.15 . 1 . . . . . 50 GLY N . 51538 1 156 . 1 . 1 51 51 GLY H H 1 8.328 0.02 . 1 . . . . . 51 GLY HN . 51538 1 157 . 1 . 1 51 51 GLY CA C 13 45.27 0.15 . 1 . . . . . 51 GLY CA . 51538 1 158 . 1 . 1 51 51 GLY N N 15 108.9 0.15 . 1 . . . . . 51 GLY N . 51538 1 159 . 1 . 1 52 52 GLN H H 1 8.342 0.02 . 1 . . . . . 52 GLN HN . 51538 1 160 . 1 . 1 52 52 GLN CA C 13 55.68 0.15 . 1 . . . . . 52 GLN CA . 51538 1 161 . 1 . 1 52 52 GLN CB C 13 29.66 0.15 . 1 . . . . . 52 GLN CB . 51538 1 162 . 1 . 1 52 52 GLN N N 15 119.8 0.15 . 1 . . . . . 52 GLN N . 51538 1 163 . 1 . 1 53 53 ALA H H 1 8.556 0.02 . 1 . . . . . 53 ALA HN . 51538 1 164 . 1 . 1 53 53 ALA CA C 13 52.94 0.15 . 1 . . . . . 53 ALA CA . 51538 1 165 . 1 . 1 53 53 ALA CB C 13 19.04 0.15 . 1 . . . . . 53 ALA CB . 51538 1 166 . 1 . 1 53 53 ALA N N 15 125.8 0.15 . 1 . . . . . 53 ALA N . 51538 1 167 . 1 . 1 54 54 SER H H 1 8.37 0.02 . 1 . . . . . 54 SER HN . 51538 1 168 . 1 . 1 54 54 SER CA C 13 58.73 0.15 . 1 . . . . . 54 SER CA . 51538 1 169 . 1 . 1 54 54 SER CB C 13 63.61 0.15 . 1 . . . . . 54 SER CB . 51538 1 170 . 1 . 1 54 54 SER N N 15 114.9 0.15 . 1 . . . . . 54 SER N . 51538 1 171 . 1 . 1 55 55 ASP H H 1 8.316 0.02 . 1 . . . . . 55 ASP HN . 51538 1 172 . 1 . 1 55 55 ASP CA C 13 54.72 0.15 . 1 . . . . . 55 ASP CA . 51538 1 173 . 1 . 1 55 55 ASP CB C 13 40.86 0.15 . 1 . . . . . 55 ASP CB . 51538 1 174 . 1 . 1 55 55 ASP N N 15 122.5 0.15 . 1 . . . . . 55 ASP N . 51538 1 175 . 1 . 1 56 56 ALA H H 1 8.082 0.02 . 1 . . . . . 56 ALA HN . 51538 1 176 . 1 . 1 56 56 ALA CA C 13 53.03 0.15 . 1 . . . . . 56 ALA CA . 51538 1 177 . 1 . 1 56 56 ALA CB C 13 19.01 0.15 . 1 . . . . . 56 ALA CB . 51538 1 178 . 1 . 1 56 56 ALA N N 15 123.4 0.15 . 1 . . . . . 56 ALA N . 51538 1 179 . 1 . 1 58 58 ILE H H 1 7.979 0.02 . 1 . . . . . 58 ILE HN . 51538 1 180 . 1 . 1 58 58 ILE CA C 13 61.28 0.15 . 1 . . . . . 58 ILE CA . 51538 1 181 . 1 . 1 58 58 ILE CB C 13 38.47 0.15 . 1 . . . . . 58 ILE CB . 51538 1 182 . 1 . 1 58 58 ILE N N 15 121.6 0.15 . 1 . . . . . 58 ILE N . 51538 1 183 . 1 . 1 59 59 GLN H H 1 8.411 0.02 . 1 . . . . . 59 GLN HN . 51538 1 184 . 1 . 1 59 59 GLN CA C 13 55.84 0.15 . 1 . . . . . 59 GLN CA . 51538 1 185 . 1 . 1 59 59 GLN CB C 13 29.46 0.15 . 1 . . . . . 59 GLN CB . 51538 1 186 . 1 . 1 59 59 GLN N N 15 124.5 0.15 . 1 . . . . . 59 GLN N . 51538 1 187 . 1 . 1 60 60 LYS H H 1 8.409 0.02 . 1 . . . . . 60 LYS HN . 51538 1 188 . 1 . 1 60 60 LYS CA C 13 56.17 0.15 . 1 . . . . . 60 LYS CA . 51538 1 189 . 1 . 1 60 60 LYS CB C 13 32.97 0.15 . 1 . . . . . 60 LYS CB . 51538 1 190 . 1 . 1 60 60 LYS N N 15 123.4 0.15 . 1 . . . . . 60 LYS N . 51538 1 191 . 1 . 1 61 61 LEU H H 1 8.444 0.02 . 1 . . . . . 61 LEU HN . 51538 1 192 . 1 . 1 61 61 LEU CA C 13 55.07 0.15 . 1 . . . . . 61 LEU CA . 51538 1 193 . 1 . 1 61 61 LEU CB C 13 42.22 0.15 . 1 . . . . . 61 LEU CB . 51538 1 194 . 1 . 1 61 61 LEU N N 15 124 0.15 . 1 . . . . . 61 LEU N . 51538 1 195 . 1 . 1 62 62 ASP H H 1 8.37 0.02 . 1 . . . . . 62 ASP HN . 51538 1 196 . 1 . 1 62 62 ASP CA C 13 54.34 0.15 . 1 . . . . . 62 ASP CA . 51538 1 197 . 1 . 1 62 62 ASP CB C 13 41.16 0.15 . 1 . . . . . 62 ASP CB . 51538 1 198 . 1 . 1 62 62 ASP N N 15 121.1 0.15 . 1 . . . . . 62 ASP N . 51538 1 199 . 1 . 1 63 63 GLY H H 1 8.37 0.02 . 1 . . . . . 63 GLY HN . 51538 1 200 . 1 . 1 63 63 GLY CA C 13 45.47 0.15 . 1 . . . . . 63 GLY CA . 51538 1 201 . 1 . 1 63 63 GLY N N 15 109.2 0.15 . 1 . . . . . 63 GLY N . 51538 1 202 . 1 . 1 64 64 LYS H H 1 8.162 0.02 . 1 . . . . . 64 LYS HN . 51538 1 203 . 1 . 1 64 64 LYS CA C 13 56.15 0.15 . 1 . . . . . 64 LYS CA . 51538 1 204 . 1 . 1 64 64 LYS CB C 13 33.02 0.15 . 1 . . . . . 64 LYS CB . 51538 1 205 . 1 . 1 64 64 LYS N N 15 121 0.15 . 1 . . . . . 64 LYS N . 51538 1 206 . 1 . 1 65 65 VAL H H 1 8.233 0.02 . 1 . . . . . 65 VAL HN . 51538 1 207 . 1 . 1 65 65 VAL CA C 13 61.83 0.15 . 1 . . . . . 65 VAL CA . 51538 1 208 . 1 . 1 65 65 VAL CB C 13 33.03 0.15 . 1 . . . . . 65 VAL CB . 51538 1 209 . 1 . 1 65 65 VAL N N 15 121.9 0.15 . 1 . . . . . 65 VAL N . 51538 1 210 . 1 . 1 66 66 ASP H H 1 8.576 0.02 . 1 . . . . . 66 ASP HN . 51538 1 211 . 1 . 1 66 66 ASP CA C 13 51.72 0.15 . 1 . . . . . 66 ASP CA . 51538 1 212 . 1 . 1 66 66 ASP CB C 13 41.41 0.15 . 1 . . . . . 66 ASP CB . 51538 1 213 . 1 . 1 66 66 ASP N N 15 126.7 0.15 . 1 . . . . . 66 ASP N . 51538 1 214 . 1 . 1 68 68 SER H H 1 8.533 0.02 . 1 . . . . . 68 SER HN . 51538 1 215 . 1 . 1 68 68 SER CA C 13 59.47 0.15 . 1 . . . . . 68 SER CA . 51538 1 216 . 1 . 1 68 68 SER CB C 13 63.41 0.15 . 1 . . . . . 68 SER CB . 51538 1 217 . 1 . 1 68 68 SER N N 15 115.5 0.15 . 1 . . . . . 68 SER N . 51538 1 218 . 1 . 1 69 69 LEU H H 1 7.816 0.02 . 1 . . . . . 69 LEU HN . 51538 1 219 . 1 . 1 69 69 LEU CA C 13 55.48 0.15 . 1 . . . . . 69 LEU CA . 51538 1 220 . 1 . 1 69 69 LEU CB C 13 42.05 0.15 . 1 . . . . . 69 LEU CB . 51538 1 221 . 1 . 1 69 69 LEU N N 15 123 0.15 . 1 . . . . . 69 LEU N . 51538 1 222 . 1 . 1 70 70 ASN H H 1 8.222 0.02 . 1 . . . . . 70 ASN HN . 51538 1 223 . 1 . 1 70 70 ASN CA C 13 53.28 0.15 . 1 . . . . . 70 ASN CA . 51538 1 224 . 1 . 1 70 70 ASN CB C 13 38.77 0.15 . 1 . . . . . 70 ASN CB . 51538 1 225 . 1 . 1 70 70 ASN N N 15 119 0.15 . 1 . . . . . 70 ASN N . 51538 1 226 . 1 . 1 71 71 ALA H H 1 8.276 0.02 . 1 . . . . . 71 ALA HN . 51538 1 227 . 1 . 1 71 71 ALA CA C 13 53.17 0.15 . 1 . . . . . 71 ALA CA . 51538 1 228 . 1 . 1 71 71 ALA CB C 13 19 0.15 . 1 . . . . . 71 ALA CB . 51538 1 229 . 1 . 1 71 71 ALA N N 15 124.7 0.15 . 1 . . . . . 71 ALA N . 51538 1 230 . 1 . 1 72 72 SER H H 1 8.297 0.02 . 1 . . . . . 72 SER HN . 51538 1 231 . 1 . 1 72 72 SER CA C 13 58.66 0.15 . 1 . . . . . 72 SER CA . 51538 1 232 . 1 . 1 72 72 SER CB C 13 63.63 0.15 . 1 . . . . . 72 SER CB . 51538 1 233 . 1 . 1 72 72 SER N N 15 114.7 0.15 . 1 . . . . . 72 SER N . 51538 1 234 . 1 . 1 73 73 ALA H H 1 8.194 0.02 . 1 . . . . . 73 ALA HN . 51538 1 235 . 1 . 1 73 73 ALA CA C 13 52.72 0.15 . 1 . . . . . 73 ALA CA . 51538 1 236 . 1 . 1 73 73 ALA CB C 13 19.06 0.15 . 1 . . . . . 73 ALA CB . 51538 1 237 . 1 . 1 73 73 ALA N N 15 125.7 0.15 . 1 . . . . . 73 ALA N . 51538 1 238 . 1 . 1 74 74 ALA H H 1 8.159 0.02 . 1 . . . . . 74 ALA HN . 51538 1 239 . 1 . 1 74 74 ALA CA C 13 52.65 0.15 . 1 . . . . . 74 ALA CA . 51538 1 240 . 1 . 1 74 74 ALA CB C 13 18.97 0.15 . 1 . . . . . 74 ALA CB . 51538 1 241 . 1 . 1 74 74 ALA N N 15 122.8 0.15 . 1 . . . . . 74 ALA N . 51538 1 242 . 1 . 1 75 75 ILE H H 1 8.071 0.02 . 1 . . . . . 75 ILE HN . 51538 1 243 . 1 . 1 75 75 ILE CA C 13 61.15 0.15 . 1 . . . . . 75 ILE CA . 51538 1 244 . 1 . 1 75 75 ILE CB C 13 38.57 0.15 . 1 . . . . . 75 ILE CB . 51538 1 245 . 1 . 1 75 75 ILE N N 15 120.1 0.15 . 1 . . . . . 75 ILE N . 51538 1 246 . 1 . 1 76 76 GLN H H 1 8.505 0.02 . 1 . . . . . 76 GLN HN . 51538 1 247 . 1 . 1 76 76 GLN CA C 13 56.09 0.15 . 1 . . . . . 76 GLN CA . 51538 1 248 . 1 . 1 76 76 GLN CB C 13 29.35 0.15 . 1 . . . . . 76 GLN CB . 51538 1 249 . 1 . 1 76 76 GLN N N 15 124.7 0.15 . 1 . . . . . 76 GLN N . 51538 1 250 . 1 . 1 77 77 GLY H H 1 8.506 0.02 . 1 . . . . . 77 GLY HN . 51538 1 251 . 1 . 1 77 77 GLY CA C 13 45.3 0.15 . 1 . . . . . 77 GLY CA . 51538 1 252 . 1 . 1 77 77 GLY N N 15 110.6 0.15 . 1 . . . . . 77 GLY N . 51538 1 253 . 1 . 1 78 78 SER H H 1 8.27 0.02 . 1 . . . . . 78 SER HN . 51538 1 254 . 1 . 1 78 78 SER CA C 13 58.35 0.15 . 1 . . . . . 78 SER CA . 51538 1 255 . 1 . 1 78 78 SER CB C 13 63.97 0.15 . 1 . . . . . 78 SER CB . 51538 1 256 . 1 . 1 78 78 SER N N 15 115.7 0.15 . 1 . . . . . 78 SER N . 51538 1 257 . 1 . 1 79 79 ALA H H 1 8.418 0.02 . 1 . . . . . 79 ALA HN . 51538 1 258 . 1 . 1 79 79 ALA CA C 13 52.81 0.15 . 1 . . . . . 79 ALA CA . 51538 1 259 . 1 . 1 79 79 ALA CB C 13 18.95 0.15 . 1 . . . . . 79 ALA CB . 51538 1 260 . 1 . 1 79 79 ALA N N 15 125.7 0.15 . 1 . . . . . 79 ALA N . 51538 1 261 . 1 . 1 80 80 PHE H H 1 8.16 0.02 . 1 . . . . . 80 PHE HN . 51538 1 262 . 1 . 1 80 80 PHE CA C 13 57.74 0.15 . 1 . . . . . 80 PHE CA . 51538 1 263 . 1 . 1 80 80 PHE CB C 13 39.55 0.15 . 1 . . . . . 80 PHE CB . 51538 1 264 . 1 . 1 80 80 PHE N N 15 118.7 0.15 . 1 . . . . . 80 PHE N . 51538 1 265 . 1 . 1 81 81 SER H H 1 8.174 0.02 . 1 . . . . . 81 SER HN . 51538 1 266 . 1 . 1 81 81 SER CA C 13 58.09 0.15 . 1 . . . . . 81 SER CA . 51538 1 267 . 1 . 1 81 81 SER CB C 13 63.91 0.15 . 1 . . . . . 81 SER CB . 51538 1 268 . 1 . 1 81 81 SER N N 15 117 0.15 . 1 . . . . . 81 SER N . 51538 1 269 . 1 . 1 82 82 ASN H H 1 8.461 0.02 . 1 . . . . . 82 ASN HN . 51538 1 270 . 1 . 1 82 82 ASN CA C 13 53.37 0.15 . 1 . . . . . 82 ASN CA . 51538 1 271 . 1 . 1 82 82 ASN CB C 13 38.85 0.15 . 1 . . . . . 82 ASN CB . 51538 1 272 . 1 . 1 82 82 ASN N N 15 120.8 0.15 . 1 . . . . . 82 ASN N . 51538 1 273 . 1 . 1 83 83 GLY H H 1 8.384 0.02 . 1 . . . . . 83 GLY HN . 51538 1 274 . 1 . 1 83 83 GLY CA C 13 45.6 0.15 . 1 . . . . . 83 GLY CA . 51538 1 275 . 1 . 1 83 83 GLY N N 15 109 0.15 . 1 . . . . . 83 GLY N . 51538 1 276 . 1 . 1 84 84 ASN H H 1 8.348 0.02 . 1 . . . . . 84 ASN HN . 51538 1 277 . 1 . 1 84 84 ASN CA C 13 53.25 0.15 . 1 . . . . . 84 ASN CA . 51538 1 278 . 1 . 1 84 84 ASN CB C 13 38.87 0.15 . 1 . . . . . 84 ASN CB . 51538 1 279 . 1 . 1 84 84 ASN N N 15 118.5 0.15 . 1 . . . . . 84 ASN N . 51538 1 280 . 1 . 1 85 85 GLY H H 1 8.427 0.02 . 1 . . . . . 85 GLY HN . 51538 1 281 . 1 . 1 85 85 GLY CA C 13 45.45 0.15 . 1 . . . . . 85 GLY CA . 51538 1 282 . 1 . 1 85 85 GLY N N 15 109.2 0.15 . 1 . . . . . 85 GLY N . 51538 1 283 . 1 . 1 86 86 ILE H H 1 8.03 0.02 . 1 . . . . . 86 ILE HN . 51538 1 284 . 1 . 1 86 86 ILE CA C 13 61.18 0.15 . 1 . . . . . 86 ILE CA . 51538 1 285 . 1 . 1 86 86 ILE CB C 13 38.54 0.15 . 1 . . . . . 86 ILE CB . 51538 1 286 . 1 . 1 86 86 ILE N N 15 120.3 0.15 . 1 . . . . . 86 ILE N . 51538 1 287 . 1 . 1 87 87 LEU H H 1 8.395 0.02 . 1 . . . . . 87 LEU HN . 51538 1 288 . 1 . 1 87 87 LEU CA C 13 55.23 0.15 . 1 . . . . . 87 LEU CA . 51538 1 289 . 1 . 1 87 87 LEU CB C 13 42.31 0.15 . 1 . . . . . 87 LEU CB . 51538 1 290 . 1 . 1 87 87 LEU N N 15 126.1 0.15 . 1 . . . . . 87 LEU N . 51538 1 291 . 1 . 1 88 88 GLY H H 1 8.403 0.02 . 1 . . . . . 88 GLY HN . 51538 1 292 . 1 . 1 88 88 GLY CA C 13 45.42 0.15 . 1 . . . . . 88 GLY CA . 51538 1 293 . 1 . 1 88 88 GLY N N 15 109.9 0.15 . 1 . . . . . 88 GLY N . 51538 1 294 . 1 . 1 89 89 VAL H H 1 8.034 0.02 . 1 . . . . . 89 VAL HN . 51538 1 295 . 1 . 1 89 89 VAL CA C 13 62.38 0.15 . 1 . . . . . 89 VAL CA . 51538 1 296 . 1 . 1 89 89 VAL CB C 13 32.7 0.15 . 1 . . . . . 89 VAL CB . 51538 1 297 . 1 . 1 89 89 VAL N N 15 119.2 0.15 . 1 . . . . . 89 VAL N . 51538 1 298 . 1 . 1 90 90 ASN H H 1 8.644 0.02 . 1 . . . . . 90 ASN HN . 51538 1 299 . 1 . 1 90 90 ASN CA C 13 53.35 0.15 . 1 . . . . . 90 ASN CA . 51538 1 300 . 1 . 1 90 90 ASN CB C 13 38.62 0.15 . 1 . . . . . 90 ASN CB . 51538 1 301 . 1 . 1 90 90 ASN N N 15 122.1 0.15 . 1 . . . . . 90 ASN N . 51538 1 302 . 1 . 1 91 91 GLN H H 1 8.465 0.02 . 1 . . . . . 91 GLN HN . 51538 1 303 . 1 . 1 91 91 GLN CA C 13 56.06 0.15 . 1 . . . . . 91 GLN CA . 51538 1 304 . 1 . 1 91 91 GLN CB C 13 29.41 0.15 . 1 . . . . . 91 GLN CB . 51538 1 305 . 1 . 1 91 91 GLN N N 15 121.4 0.15 . 1 . . . . . 91 GLN N . 51538 1 306 . 1 . 1 92 92 SER H H 1 8.402 0.02 . 1 . . . . . 92 SER HN . 51538 1 307 . 1 . 1 92 92 SER CA C 13 58.5 0.15 . 1 . . . . . 92 SER CA . 51538 1 308 . 1 . 1 92 92 SER CB C 13 63.8 0.15 . 1 . . . . . 92 SER CB . 51538 1 309 . 1 . 1 92 92 SER N N 15 116.9 0.15 . 1 . . . . . 92 SER N . 51538 1 310 . 1 . 1 93 93 ALA H H 1 8.402 0.02 . 1 . . . . . 93 ALA HN . 51538 1 311 . 1 . 1 93 93 ALA CA C 13 52.9 0.15 . 1 . . . . . 93 ALA CA . 51538 1 312 . 1 . 1 93 93 ALA CB C 13 19.05 0.15 . 1 . . . . . 93 ALA CB . 51538 1 313 . 1 . 1 93 93 ALA N N 15 126.1 0.15 . 1 . . . . . 93 ALA N . 51538 1 314 . 1 . 1 94 94 GLY H H 1 8.371 0.02 . 1 . . . . . 94 GLY HN . 51538 1 315 . 1 . 1 94 94 GLY CA C 13 45.23 0.15 . 1 . . . . . 94 GLY CA . 51538 1 316 . 1 . 1 94 94 GLY N N 15 108.1 0.15 . 1 . . . . . 94 GLY N . 51538 1 317 . 1 . 1 95 95 ALA H H 1 8.173 0.02 . 1 . . . . . 95 ALA HN . 51538 1 318 . 1 . 1 95 95 ALA CA C 13 52.75 0.15 . 1 . . . . . 95 ALA CA . 51538 1 319 . 1 . 1 95 95 ALA CB C 13 19.16 0.15 . 1 . . . . . 95 ALA CB . 51538 1 320 . 1 . 1 95 95 ALA N N 15 123.6 0.15 . 1 . . . . . 95 ALA N . 51538 1 321 . 1 . 1 96 96 ASN H H 1 8.482 0.02 . 1 . . . . . 96 ASN HN . 51538 1 322 . 1 . 1 96 96 ASN CA C 13 53.23 0.15 . 1 . . . . . 96 ASN CA . 51538 1 323 . 1 . 1 96 96 ASN CB C 13 38.62 0.15 . 1 . . . . . 96 ASN CB . 51538 1 324 . 1 . 1 96 96 ASN N N 15 117.4 0.15 . 1 . . . . . 96 ASN N . 51538 1 325 . 1 . 1 97 97 ASN H H 1 8.368 0.02 . 1 . . . . . 97 ASN HN . 51538 1 326 . 1 . 1 97 97 ASN CA C 13 53.53 0.15 . 1 . . . . . 97 ASN CA . 51538 1 327 . 1 . 1 97 97 ASN CB C 13 38.6 0.15 . 1 . . . . . 97 ASN CB . 51538 1 328 . 1 . 1 97 97 ASN N N 15 119.1 0.15 . 1 . . . . . 97 ASN N . 51538 1 329 . 1 . 1 98 98 GLN H H 1 8.367 0.02 . 1 . . . . . 98 GLN HN . 51538 1 330 . 1 . 1 98 98 GLN CA C 13 56.27 0.15 . 1 . . . . . 98 GLN CA . 51538 1 331 . 1 . 1 98 98 GLN CB C 13 29.2 0.15 . 1 . . . . . 98 GLN CB . 51538 1 332 . 1 . 1 98 98 GLN N N 15 120 0.15 . 1 . . . . . 98 GLN N . 51538 1 333 . 1 . 1 99 99 MET H H 1 8.351 0.02 . 1 . . . . . 99 MET HN . 51538 1 334 . 1 . 1 99 99 MET CA C 13 55.77 0.15 . 1 . . . . . 99 MET CA . 51538 1 335 . 1 . 1 99 99 MET CB C 13 32.55 0.15 . 1 . . . . . 99 MET CB . 51538 1 336 . 1 . 1 99 99 MET N N 15 121 0.15 . 1 . . . . . 99 MET N . 51538 1 337 . 1 . 1 100 100 ILE H H 1 8.145 0.02 . 1 . . . . . 100 ILE HN . 51538 1 338 . 1 . 1 100 100 ILE CA C 13 61.38 0.15 . 1 . . . . . 100 ILE CA . 51538 1 339 . 1 . 1 100 100 ILE CB C 13 38.64 0.15 . 1 . . . . . 100 ILE CB . 51538 1 340 . 1 . 1 100 100 ILE N N 15 121.8 0.15 . 1 . . . . . 100 ILE N . 51538 1 341 . 1 . 1 101 101 ASN H H 1 8.502 0.02 . 1 . . . . . 101 ASN HN . 51538 1 342 . 1 . 1 101 101 ASN CA C 13 53.26 0.15 . 1 . . . . . 101 ASN CA . 51538 1 343 . 1 . 1 101 101 ASN CB C 13 38.76 0.15 . 1 . . . . . 101 ASN CB . 51538 1 344 . 1 . 1 101 101 ASN N N 15 122.4 0.15 . 1 . . . . . 101 ASN N . 51538 1 345 . 1 . 1 102 102 ALA H H 1 8.196 0.02 . 1 . . . . . 102 ALA HN . 51538 1 346 . 1 . 1 102 102 ALA CA C 13 52.7 0.15 . 1 . . . . . 102 ALA CA . 51538 1 347 . 1 . 1 102 102 ALA CB C 13 19.27 0.15 . 1 . . . . . 102 ALA CB . 51538 1 348 . 1 . 1 102 102 ALA N N 15 124.3 0.15 . 1 . . . . . 102 ALA N . 51538 1 349 . 1 . 1 103 103 VAL H H 1 8.137 0.02 . 1 . . . . . 103 VAL HN . 51538 1 350 . 1 . 1 103 103 VAL CA C 13 62.42 0.15 . 1 . . . . . 103 VAL CA . 51538 1 351 . 1 . 1 103 103 VAL CB C 13 32.63 0.15 . 1 . . . . . 103 VAL CB . 51538 1 352 . 1 . 1 103 103 VAL N N 15 119.9 0.15 . 1 . . . . . 103 VAL N . 51538 1 353 . 1 . 1 104 104 ARG H H 1 8.455 0.02 . 1 . . . . . 104 ARG HN . 51538 1 354 . 1 . 1 104 104 ARG CA C 13 55.88 0.15 . 1 . . . . . 104 ARG CA . 51538 1 355 . 1 . 1 104 104 ARG CB C 13 30.91 0.15 . 1 . . . . . 104 ARG CB . 51538 1 356 . 1 . 1 104 104 ARG N N 15 125.9 0.15 . 1 . . . . . 104 ARG N . 51538 1 357 . 1 . 1 105 105 ILE H H 1 8.381 0.02 . 1 . . . . . 105 ILE HN . 51538 1 358 . 1 . 1 105 105 ILE CA C 13 60.93 0.15 . 1 . . . . . 105 ILE CA . 51538 1 359 . 1 . 1 105 105 ILE CB C 13 38.76 0.15 . 1 . . . . . 105 ILE CB . 51538 1 360 . 1 . 1 105 105 ILE N N 15 123.5 0.15 . 1 . . . . . 105 ILE N . 51538 1 361 . 1 . 1 106 106 SER H H 1 8.552 0.02 . 1 . . . . . 106 SER HN . 51538 1 362 . 1 . 1 106 106 SER CA C 13 58.17 0.15 . 1 . . . . . 106 SER CA . 51538 1 363 . 1 . 1 106 106 SER CB C 13 63.91 0.15 . 1 . . . . . 106 SER CB . 51538 1 364 . 1 . 1 106 106 SER N N 15 120.5 0.15 . 1 . . . . . 106 SER N . 51538 1 365 . 1 . 1 107 107 THR H H 1 8.267 0.02 . 1 . . . . . 107 THR HN . 51538 1 366 . 1 . 1 107 107 THR CA C 13 61.55 0.15 . 1 . . . . . 107 THR CA . 51538 1 367 . 1 . 1 107 107 THR CB C 13 69.81 0.15 . 1 . . . . . 107 THR CB . 51538 1 368 . 1 . 1 107 107 THR N N 15 115.5 0.15 . 1 . . . . . 107 THR N . 51538 1 369 . 1 . 1 108 108 GLY H H 1 8.29 0.02 . 1 . . . . . 108 GLY HN . 51538 1 370 . 1 . 1 108 108 GLY CA C 13 44.63 0.15 . 1 . . . . . 108 GLY CA . 51538 1 371 . 1 . 1 110 110 GLN H H 1 8.654 0.02 . 1 . . . . . 110 GLN HN . 51538 1 372 . 1 . 1 110 110 GLN CA C 13 55.66 0.15 . 1 . . . . . 110 GLN CA . 51538 1 373 . 1 . 1 110 110 GLN CB C 13 29.61 0.15 . 1 . . . . . 110 GLN CB . 51538 1 374 . 1 . 1 110 110 GLN N N 15 120.8 0.15 . 1 . . . . . 110 GLN N . 51538 1 375 . 1 . 1 111 111 SER H H 1 8.45 0.02 . 1 . . . . . 111 SER HN . 51538 1 376 . 1 . 1 111 111 SER CA C 13 58.24 0.15 . 1 . . . . . 111 SER CA . 51538 1 377 . 1 . 1 111 111 SER CB C 13 63.9 0.15 . 1 . . . . . 111 SER CB . 51538 1 378 . 1 . 1 111 111 SER N N 15 117.7 0.15 . 1 . . . . . 111 SER N . 51538 1 379 . 1 . 1 112 112 VAL H H 1 8.298 0.02 . 1 . . . . . 112 VAL HN . 51538 1 380 . 1 . 1 112 112 VAL CA C 13 62.29 0.15 . 1 . . . . . 112 VAL CA . 51538 1 381 . 1 . 1 112 112 VAL CB C 13 41.1 0.15 . 1 . . . . . 112 VAL CB . 51538 1 382 . 1 . 1 112 112 VAL N N 15 121.6 0.15 . 1 . . . . . 112 VAL N . 51538 1 383 . 1 . 1 113 113 ASP H H 1 8.334 0.02 . 1 . . . . . 113 ASP HN . 51538 1 384 . 1 . 1 113 113 ASP CA C 13 54.36 0.15 . 1 . . . . . 113 ASP CA . 51538 1 385 . 1 . 1 113 113 ASP CB C 13 41.26 0.15 . 1 . . . . . 113 ASP CB . 51538 1 386 . 1 . 1 113 113 ASP N N 15 123.5 0.15 . 1 . . . . . 113 ASP N . 51538 1 387 . 1 . 1 114 114 ASP H H 1 8.307 0.02 . 1 . . . . . 114 ASP HN . 51538 1 388 . 1 . 1 114 114 ASP CA C 13 54.79 0.15 . 1 . . . . . 114 ASP CA . 51538 1 389 . 1 . 1 114 114 ASP CB C 13 32.79 0.15 . 1 . . . . . 114 ASP CB . 51538 1 390 . 1 . 1 114 114 ASP N N 15 121.5 0.15 . 1 . . . . . 114 ASP N . 51538 1 391 . 1 . 1 115 115 ASN H H 1 8.45 0.02 . 1 . . . . . 115 ASN HN . 51538 1 392 . 1 . 1 115 115 ASN CA C 13 53.71 0.15 . 1 . . . . . 115 ASN CA . 51538 1 393 . 1 . 1 115 115 ASN CB C 13 38.68 0.15 . 1 . . . . . 115 ASN CB . 51538 1 394 . 1 . 1 115 115 ASN N N 15 119 0.15 . 1 . . . . . 115 ASN N . 51538 1 395 . 1 . 1 116 116 VAL H H 1 8.049 0.02 . 1 . . . . . 116 VAL HN . 51538 1 396 . 1 . 1 116 116 VAL CA C 13 63.45 0.15 . 1 . . . . . 116 VAL CA . 51538 1 397 . 1 . 1 116 116 VAL CB C 13 32.33 0.15 . 1 . . . . . 116 VAL CB . 51538 1 398 . 1 . 1 116 116 VAL N N 15 120.6 0.15 . 1 . . . . . 116 VAL N . 51538 1 399 . 1 . 1 117 117 LEU H H 1 8.264 0.02 . 1 . . . . . 117 LEU HN . 51538 1 400 . 1 . 1 117 117 LEU CA C 13 55.75 0.15 . 1 . . . . . 117 LEU CA . 51538 1 401 . 1 . 1 117 117 LEU CB C 13 41.95 0.15 . 1 . . . . . 117 LEU CB . 51538 1 402 . 1 . 1 117 117 LEU N N 15 124.1 0.15 . 1 . . . . . 117 LEU N . 51538 1 403 . 1 . 1 118 118 SER H H 1 8.205 0.02 . 1 . . . . . 118 SER HN . 51538 1 404 . 1 . 1 118 118 SER CA C 13 58.85 0.15 . 1 . . . . . 118 SER CA . 51538 1 405 . 1 . 1 118 118 SER CB C 13 63.55 0.15 . 1 . . . . . 118 SER CB . 51538 1 406 . 1 . 1 118 118 SER N N 15 115.9 0.15 . 1 . . . . . 118 SER N . 51538 1 407 . 1 . 1 119 119 GLN H H 1 8.285 0.02 . 1 . . . . . 119 GLN HN . 51538 1 408 . 1 . 1 119 119 GLN CA C 13 56.3 0.15 . 1 . . . . . 119 GLN CA . 51538 1 409 . 1 . 1 119 119 GLN CB C 13 29.09 0.15 . 1 . . . . . 119 GLN CB . 51538 1 410 . 1 . 1 119 119 GLN N N 15 121.6 0.15 . 1 . . . . . 119 GLN N . 51538 1 411 . 1 . 1 120 120 GLN H H 1 8.323 0.02 . 1 . . . . . 120 GLN HN . 51538 1 412 . 1 . 1 120 120 GLN CA C 13 56.33 0.15 . 1 . . . . . 120 GLN CA . 51538 1 413 . 1 . 1 120 120 GLN CB C 13 29.2 0.15 . 1 . . . . . 120 GLN CB . 51538 1 414 . 1 . 1 120 120 GLN N N 15 120.5 0.15 . 1 . . . . . 120 GLN N . 51538 1 415 . 1 . 1 121 121 ASN H H 1 8.445 0.02 . 1 . . . . . 121 ASN HN . 51538 1 416 . 1 . 1 121 121 ASN CA C 13 53.51 0.15 . 1 . . . . . 121 ASN CA . 51538 1 417 . 1 . 1 121 121 ASN CB C 13 38.62 0.15 . 1 . . . . . 121 ASN CB . 51538 1 418 . 1 . 1 121 121 ASN N N 15 119.1 0.15 . 1 . . . . . 121 ASN N . 51538 1 419 . 1 . 1 122 122 MET H H 1 8.347 0.02 . 1 . . . . . 122 MET HN . 51538 1 420 . 1 . 1 122 122 MET CA C 13 55.78 0.15 . 1 . . . . . 122 MET CA . 51538 1 421 . 1 . 1 122 122 MET N N 15 120.9 0.15 . 1 . . . . . 122 MET N . 51538 1 422 . 1 . 1 123 123 THR H H 1 8.2 0.02 . 1 . . . . . 123 THR HN . 51538 1 423 . 1 . 1 123 123 THR CA C 13 62.24 0.15 . 1 . . . . . 123 THR CA . 51538 1 424 . 1 . 1 123 123 THR CB C 13 69.69 0.15 . 1 . . . . . 123 THR CB . 51538 1 425 . 1 . 1 123 123 THR N N 15 115.6 0.15 . 1 . . . . . 123 THR N . 51538 1 426 . 1 . 1 124 124 LEU H H 1 8.191 0.02 . 1 . . . . . 124 LEU HN . 51538 1 427 . 1 . 1 124 124 LEU CA C 13 54.84 0.15 . 1 . . . . . 124 LEU CA . 51538 1 428 . 1 . 1 124 124 LEU CB C 13 42.31 0.15 . 1 . . . . . 124 LEU CB . 51538 1 429 . 1 . 1 124 124 LEU N N 15 124.8 0.15 . 1 . . . . . 124 LEU N . 51538 1 430 . 1 . 1 125 125 LEU H H 1 8.297 0.02 . 1 . . . . . 125 LEU HN . 51538 1 431 . 1 . 1 125 125 LEU CA C 13 52.94 0.15 . 1 . . . . . 125 LEU CA . 51538 1 432 . 1 . 1 125 125 LEU CB C 13 41.59 0.15 . 1 . . . . . 125 LEU CB . 51538 1 433 . 1 . 1 125 125 LEU N N 15 124.7 0.15 . 1 . . . . . 125 LEU N . 51538 1 434 . 1 . 1 127 127 ASP H H 1 8.48 0.02 . 1 . . . . . 127 ASP HN . 51538 1 435 . 1 . 1 127 127 ASP CA C 13 54.24 0.15 . 1 . . . . . 127 ASP CA . 51538 1 436 . 1 . 1 127 127 ASP CB C 13 41.17 0.15 . 1 . . . . . 127 ASP CB . 51538 1 437 . 1 . 1 127 127 ASP N N 15 120.5 0.15 . 1 . . . . . 127 ASP N . 51538 1 438 . 1 . 1 128 128 SER H H 1 8.361 0.02 . 1 . . . . . 128 SER HN . 51538 1 439 . 1 . 1 128 128 SER CA C 13 58.75 0.15 . 1 . . . . . 128 SER CA . 51538 1 440 . 1 . 1 128 128 SER CB C 13 63.61 0.15 . 1 . . . . . 128 SER CB . 51538 1 441 . 1 . 1 128 128 SER N N 15 117.3 0.15 . 1 . . . . . 128 SER N . 51538 1 442 . 1 . 1 129 129 ARG H H 1 8.346 0.02 . 1 . . . . . 129 ARG HN . 51538 1 443 . 1 . 1 129 129 ARG CA C 13 56.09 0.15 . 1 . . . . . 129 ARG CA . 51538 1 444 . 1 . 1 129 129 ARG CB C 13 30.65 0.15 . 1 . . . . . 129 ARG CB . 51538 1 445 . 1 . 1 129 129 ARG N N 15 122.2 0.15 . 1 . . . . . 129 ARG N . 51538 1 446 . 1 . 1 130 130 SER H H 1 8.305 0.02 . 1 . . . . . 130 SER HN . 51538 1 447 . 1 . 1 130 130 SER CA C 13 56.44 0.15 . 1 . . . . . 130 SER CA . 51538 1 448 . 1 . 1 130 130 SER CB C 13 63.2 0.15 . 1 . . . . . 130 SER CB . 51538 1 449 . 1 . 1 130 130 SER N N 15 118 0.15 . 1 . . . . . 130 SER N . 51538 1 450 . 1 . 1 132 132 SER H H 1 8.494 0.02 . 1 . . . . . 132 SER HN . 51538 1 451 . 1 . 1 132 132 SER CA C 13 58.38 0.15 . 1 . . . . . 132 SER CA . 51538 1 452 . 1 . 1 132 132 SER CB C 13 63.77 0.15 . 1 . . . . . 132 SER CB . 51538 1 453 . 1 . 1 132 132 SER N N 15 115.8 0.15 . 1 . . . . . 132 SER N . 51538 1 454 . 1 . 1 133 133 THR H H 1 8.327 0.02 . 1 . . . . . 133 THR HN . 51538 1 455 . 1 . 1 133 133 THR CA C 13 61.81 0.15 . 1 . . . . . 133 THR CA . 51538 1 456 . 1 . 1 133 133 THR CB C 13 69.67 0.15 . 1 . . . . . 133 THR CB . 51538 1 457 . 1 . 1 133 133 THR N N 15 115.8 0.15 . 1 . . . . . 133 THR N . 51538 1 458 . 1 . 1 134 134 THR H H 1 8.195 0.02 . 1 . . . . . 134 THR HN . 51538 1 459 . 1 . 1 134 134 THR N N 15 115.7 0.15 . 1 . . . . . 134 THR N . 51538 1 460 . 1 . 1 135 135 GLY H H 1 8.47 0.02 . 1 . . . . . 135 GLY HN . 51538 1 461 . 1 . 1 135 135 GLY CA C 13 45.32 0.15 . 1 . . . . . 135 GLY CA . 51538 1 462 . 1 . 1 135 135 GLY N N 15 111.4 0.15 . 1 . . . . . 135 GLY N . 51538 1 463 . 1 . 1 136 136 SER H H 1 8.316 0.02 . 1 . . . . . 136 SER HN . 51538 1 464 . 1 . 1 136 136 SER CA C 13 58.44 0.15 . 1 . . . . . 136 SER CA . 51538 1 465 . 1 . 1 136 136 SER CB C 13 63.74 0.15 . 1 . . . . . 136 SER CB . 51538 1 466 . 1 . 1 136 136 SER N N 15 115.9 0.15 . 1 . . . . . 136 SER N . 51538 1 467 . 1 . 1 137 137 ARG H H 1 8.47 0.02 . 1 . . . . . 137 ARG HN . 51538 1 468 . 1 . 1 137 137 ARG CA C 13 56.06 0.15 . 1 . . . . . 137 ARG CA . 51538 1 469 . 1 . 1 137 137 ARG CB C 13 30.66 0.15 . 1 . . . . . 137 ARG CB . 51538 1 470 . 1 . 1 137 137 ARG N N 15 123 0.15 . 1 . . . . . 137 ARG N . 51538 1 471 . 1 . 1 138 138 GLN H H 1 8.452 0.02 . 1 . . . . . 138 GLN HN . 51538 1 472 . 1 . 1 138 138 GLN CA C 13 55.82 0.15 . 1 . . . . . 138 GLN CA . 51538 1 473 . 1 . 1 138 138 GLN CB C 13 29.48 0.15 . 1 . . . . . 138 GLN CB . 51538 1 474 . 1 . 1 138 138 GLN N N 15 122.2 0.15 . 1 . . . . . 138 GLN N . 51538 1 475 . 1 . 1 139 139 VAL H H 1 8.361 0.02 . 1 . . . . . 139 VAL HN . 51538 1 476 . 1 . 1 139 139 VAL CA C 13 62.32 0.15 . 1 . . . . . 139 VAL CA . 51538 1 477 . 1 . 1 139 139 VAL CB C 13 32.81 0.15 . 1 . . . . . 139 VAL CB . 51538 1 478 . 1 . 1 139 139 VAL N N 15 123.1 0.15 . 1 . . . . . 139 VAL N . 51538 1 479 . 1 . 1 140 140 VAL H H 1 8.437 0.02 . 1 . . . . . 140 VAL HN . 51538 1 480 . 1 . 1 140 140 VAL CA C 13 62.13 0.15 . 1 . . . . . 140 VAL CA . 51538 1 481 . 1 . 1 140 140 VAL CB C 13 32.82 0.15 . 1 . . . . . 140 VAL CB . 51538 1 482 . 1 . 1 140 140 VAL N N 15 125.4 0.15 . 1 . . . . . 140 VAL N . 51538 1 483 . 1 . 1 141 141 THR H H 1 8.376 0.02 . 1 . . . . . 141 THR HN . 51538 1 484 . 1 . 1 141 141 THR CA C 13 61.7 0.15 . 1 . . . . . 141 THR CA . 51538 1 485 . 1 . 1 141 141 THR CB C 13 69.86 0.15 . 1 . . . . . 141 THR CB . 51538 1 486 . 1 . 1 141 141 THR N N 15 118.8 0.15 . 1 . . . . . 141 THR N . 51538 1 487 . 1 . 1 142 142 SER N N 15 117.9 0.15 . 1 . . . . . 142 SER N . 51538 1 488 . 1 . 1 143 143 ASP H H 1 8.438 0.02 . 1 . . . . . 143 ASP HN . 51538 1 489 . 1 . 1 143 143 ASP CA C 13 54.62 0.15 . 1 . . . . . 143 ASP CA . 51538 1 490 . 1 . 1 143 143 ASP CB C 13 40.99 0.15 . 1 . . . . . 143 ASP CB . 51538 1 491 . 1 . 1 143 143 ASP N N 15 122.5 0.15 . 1 . . . . . 143 ASP N . 51538 1 492 . 1 . 1 144 144 GLN H H 1 8.285 0.02 . 1 . . . . . 144 GLN HN . 51538 1 493 . 1 . 1 144 144 GLN CA C 13 56.04 0.15 . 1 . . . . . 144 GLN CA . 51538 1 494 . 1 . 1 144 144 GLN CB C 13 29.22 0.15 . 1 . . . . . 144 GLN CB . 51538 1 495 . 1 . 1 144 144 GLN N N 15 120.7 0.15 . 1 . . . . . 144 GLN N . 51538 1 496 . 1 . 1 145 145 ALA H H 1 8.269 0.02 . 1 . . . . . 145 ALA HN . 51538 1 497 . 1 . 1 145 145 ALA CA C 13 52.73 0.15 . 1 . . . . . 145 ALA CA . 51538 1 498 . 1 . 1 145 145 ALA CB C 13 19 0.15 . 1 . . . . . 145 ALA CB . 51538 1 499 . 1 . 1 145 145 ALA N N 15 124.3 0.15 . 1 . . . . . 145 ALA N . 51538 1 500 . 1 . 1 146 146 PHE H H 1 8.229 0.02 . 1 . . . . . 146 PHE HN . 51538 1 501 . 1 . 1 146 146 PHE CA C 13 57.83 0.15 . 1 . . . . . 146 PHE CA . 51538 1 502 . 1 . 1 146 146 PHE CB C 13 39.52 0.15 . 1 . . . . . 146 PHE CB . 51538 1 503 . 1 . 1 146 146 PHE N N 15 119.4 0.15 . 1 . . . . . 146 PHE N . 51538 1 504 . 1 . 1 147 147 THR H H 1 8.145 0.02 . 1 . . . . . 147 THR HN . 51538 1 505 . 1 . 1 147 147 THR CA C 13 61.91 0.15 . 1 . . . . . 147 THR CA . 51538 1 506 . 1 . 1 147 147 THR CB C 13 69.75 0.15 . 1 . . . . . 147 THR CB . 51538 1 507 . 1 . 1 147 147 THR N N 15 115.8 0.15 . 1 . . . . . 147 THR N . 51538 1 508 . 1 . 1 148 148 GLY H H 1 7.798 0.02 . 1 . . . . . 148 GLY HN . 51538 1 509 . 1 . 1 148 148 GLY CA C 13 45.33 0.15 . 1 . . . . . 148 GLY CA . 51538 1 510 . 1 . 1 148 148 GLY N N 15 110.5 0.15 . 1 . . . . . 148 GLY N . 51538 1 511 . 1 . 1 149 149 SER H H 1 8.286 0.02 . 1 . . . . . 149 SER HN . 51538 1 512 . 1 . 1 149 149 SER CA C 13 58.39 0.15 . 1 . . . . . 149 SER CA . 51538 1 513 . 1 . 1 149 149 SER CB C 13 63.84 0.15 . 1 . . . . . 149 SER CB . 51538 1 514 . 1 . 1 149 149 SER N N 15 115.9 0.15 . 1 . . . . . 149 SER N . 51538 1 515 . 1 . 1 150 150 ARG H H 1 8.509 0.02 . 1 . . . . . 150 ARG HN . 51538 1 516 . 1 . 1 150 150 ARG CA C 13 56.27 0.15 . 1 . . . . . 150 ARG CA . 51538 1 517 . 1 . 1 150 150 ARG CB C 13 30.58 0.15 . 1 . . . . . 150 ARG CB . 51538 1 518 . 1 . 1 150 150 ARG N N 15 123 0.15 . 1 . . . . . 150 ARG N . 51538 1 519 . 1 . 1 151 151 GLY H H 1 8.382 0.02 . 1 . . . . . 151 GLY HN . 51538 1 520 . 1 . 1 151 151 GLY CA C 13 45.14 0.15 . 1 . . . . . 151 GLY CA . 51538 1 521 . 1 . 1 151 151 GLY N N 15 109.7 0.15 . 1 . . . . . 151 GLY N . 51538 1 522 . 1 . 1 152 152 VAL H H 1 8.045 0.02 . 1 . . . . . 152 VAL HN . 51538 1 523 . 1 . 1 152 152 VAL CA C 13 62.23 0.15 . 1 . . . . . 152 VAL CA . 51538 1 524 . 1 . 1 152 152 VAL CB C 13 32.79 0.15 . 1 . . . . . 152 VAL CB . 51538 1 525 . 1 . 1 152 152 VAL N N 15 120 0.15 . 1 . . . . . 152 VAL N . 51538 1 526 . 1 . 1 153 153 VAL H H 1 8.352 0.02 . 1 . . . . . 153 VAL HN . 51538 1 527 . 1 . 1 153 153 VAL CA C 13 62.31 0.15 . 1 . . . . . 153 VAL CA . 51538 1 528 . 1 . 1 153 153 VAL CB C 13 32.72 0.15 . 1 . . . . . 153 VAL CB . 51538 1 529 . 1 . 1 153 153 VAL N N 15 125.6 0.15 . 1 . . . . . 153 VAL N . 51538 1 530 . 1 . 1 154 154 GLN H H 1 8.583 0.02 . 1 . . . . . 154 GLN HN . 51538 1 531 . 1 . 1 154 154 GLN CA C 13 55.45 0.15 . 1 . . . . . 154 GLN CA . 51538 1 532 . 1 . 1 154 154 GLN CB C 13 29.56 0.15 . 1 . . . . . 154 GLN CB . 51538 1 533 . 1 . 1 154 154 GLN N N 15 125.6 0.15 . 1 . . . . . 154 GLN N . 51538 1 534 . 1 . 1 155 155 VAL H H 1 8.376 0.02 . 1 . . . . . 155 VAL HN . 51538 1 535 . 1 . 1 155 155 VAL CA C 13 62.33 0.15 . 1 . . . . . 155 VAL CA . 51538 1 536 . 1 . 1 155 155 VAL CB C 13 32.84 0.15 . 1 . . . . . 155 VAL CB . 51538 1 537 . 1 . 1 155 155 VAL N N 15 122.5 0.15 . 1 . . . . . 155 VAL N . 51538 1 538 . 1 . 1 156 156 ASN H H 1 8.64 0.02 . 1 . . . . . 156 ASN HN . 51538 1 539 . 1 . 1 156 156 ASN CA C 13 53.23 0.15 . 1 . . . . . 156 ASN CA . 51538 1 540 . 1 . 1 156 156 ASN CB C 13 38.71 0.15 . 1 . . . . . 156 ASN CB . 51538 1 541 . 1 . 1 156 156 ASN N N 15 122.5 0.15 . 1 . . . . . 156 ASN N . 51538 1 542 . 1 . 1 157 157 GLN H H 1 8.576 0.02 . 1 . . . . . 157 GLN HN . 51538 1 543 . 1 . 1 157 157 GLN CA C 13 56.09 0.15 . 1 . . . . . 157 GLN CA . 51538 1 544 . 1 . 1 157 157 GLN CB C 13 29.36 0.15 . 1 . . . . . 157 GLN CB . 51538 1 545 . 1 . 1 157 157 GLN N N 15 121.9 0.15 . 1 . . . . . 157 GLN N . 51538 1 546 . 1 . 1 158 158 SER H H 1 8.433 0.02 . 1 . . . . . 158 SER HN . 51538 1 547 . 1 . 1 158 158 SER CA C 13 58.54 0.15 . 1 . . . . . 158 SER CA . 51538 1 548 . 1 . 1 158 158 SER CB C 13 63.73 0.15 . 1 . . . . . 158 SER CB . 51538 1 549 . 1 . 1 158 158 SER N N 15 117.1 0.15 . 1 . . . . . 158 SER N . 51538 1 550 . 1 . 1 159 159 ALA H H 1 8.367 0.02 . 1 . . . . . 159 ALA HN . 51538 1 551 . 1 . 1 159 159 ALA CA C 13 52.76 0.15 . 1 . . . . . 159 ALA CA . 51538 1 552 . 1 . 1 159 159 ALA CB C 13 19.18 0.15 . 1 . . . . . 159 ALA CB . 51538 1 553 . 1 . 1 159 159 ALA N N 15 125.9 0.15 . 1 . . . . . 159 ALA N . 51538 1 554 . 1 . 1 160 160 GLY H H 1 8.365 0.02 . 1 . . . . . 160 GLY HN . 51538 1 555 . 1 . 1 160 160 GLY N N 15 108.1 0.15 . 1 . . . . . 160 GLY N . 51538 1 556 . 1 . 1 161 161 VAL H H 1 8.079 0.02 . 1 . . . . . 161 VAL HN . 51538 1 557 . 1 . 1 161 161 VAL CA C 13 62.54 0.15 . 1 . . . . . 161 VAL CA . 51538 1 558 . 1 . 1 161 161 VAL CB C 13 32.55 0.15 . 1 . . . . . 161 VAL CB . 51538 1 559 . 1 . 1 161 161 VAL N N 15 119.1 0.15 . 1 . . . . . 161 VAL N . 51538 1 560 . 1 . 1 162 162 GLY H H 1 8.579 0.02 . 1 . . . . . 162 GLY HN . 51538 1 561 . 1 . 1 162 162 GLY CA C 13 45.33 0.15 . 1 . . . . . 162 GLY CA . 51538 1 562 . 1 . 1 162 162 GLY N N 15 112.1 0.15 . 1 . . . . . 162 GLY N . 51538 1 563 . 1 . 1 163 163 ASN H H 1 8.336 0.02 . 1 . . . . . 163 ASN HN . 51538 1 564 . 1 . 1 163 163 ASN CA C 13 53.23 0.15 . 1 . . . . . 163 ASN CA . 51538 1 565 . 1 . 1 163 163 ASN CB C 13 38.77 0.15 . 1 . . . . . 163 ASN CB . 51538 1 566 . 1 . 1 163 163 ASN N N 15 118.9 0.15 . 1 . . . . . 163 ASN N . 51538 1 567 . 1 . 1 164 164 ARG H H 1 8.41 0.02 . 1 . . . . . 164 ARG HN . 51538 1 568 . 1 . 1 164 164 ARG CA C 13 56.41 0.15 . 1 . . . . . 164 ARG CA . 51538 1 569 . 1 . 1 164 164 ARG CB C 13 30.5 0.15 . 1 . . . . . 164 ARG CB . 51538 1 570 . 1 . 1 164 164 ARG N N 15 121.6 0.15 . 1 . . . . . 164 ARG N . 51538 1 571 . 1 . 1 165 165 MET H H 1 8.425 0.02 . 1 . . . . . 165 MET HN . 51538 1 572 . 1 . 1 165 165 MET CA C 13 55.45 0.15 . 1 . . . . . 165 MET CA . 51538 1 573 . 1 . 1 165 165 MET CB C 13 32.63 0.15 . 1 . . . . . 165 MET CB . 51538 1 574 . 1 . 1 165 165 MET N N 15 121.2 0.15 . 1 . . . . . 165 MET N . 51538 1 575 . 1 . 1 166 166 ALA H H 1 8.335 0.02 . 1 . . . . . 166 ALA HN . 51538 1 576 . 1 . 1 166 166 ALA CA C 13 52.71 0.15 . 1 . . . . . 166 ALA CA . 51538 1 577 . 1 . 1 166 166 ALA CB C 13 19.16 0.15 . 1 . . . . . 166 ALA CB . 51538 1 578 . 1 . 1 166 166 ALA N N 15 125.1 0.15 . 1 . . . . . 166 ALA N . 51538 1 579 . 1 . 1 167 167 ASN H H 1 8.468 0.02 . 1 . . . . . 167 ASN HN . 51538 1 580 . 1 . 1 167 167 ASN CA C 13 53.14 0.15 . 1 . . . . . 167 ASN CA . 51538 1 581 . 1 . 1 167 167 ASN CB C 13 38.71 0.15 . 1 . . . . . 167 ASN CB . 51538 1 582 . 1 . 1 167 167 ASN N N 15 117.8 0.15 . 1 . . . . . 167 ASN N . 51538 1 583 . 1 . 1 168 168 THR H H 1 8.172 0.02 . 1 . . . . . 168 THR HN . 51538 1 584 . 1 . 1 168 168 THR CA C 13 62.06 0.15 . 1 . . . . . 168 THR CA . 51538 1 585 . 1 . 1 168 168 THR CB C 13 69.61 0.15 . 1 . . . . . 168 THR CB . 51538 1 586 . 1 . 1 168 168 THR N N 15 114.4 0.15 . 1 . . . . . 168 THR N . 51538 1 587 . 1 . 1 169 169 LEU H H 1 8.286 0.02 . 1 . . . . . 169 LEU HN . 51538 1 588 . 1 . 1 169 169 LEU CA C 13 55.45 0.15 . 1 . . . . . 169 LEU CA . 51538 1 589 . 1 . 1 169 169 LEU CB C 13 42.23 0.15 . 1 . . . . . 169 LEU CB . 51538 1 590 . 1 . 1 169 169 LEU N N 15 124.2 0.15 . 1 . . . . . 169 LEU N . 51538 1 591 . 1 . 1 170 170 GLY H H 1 8.422 0.02 . 1 . . . . . 170 GLY HN . 51538 1 592 . 1 . 1 170 170 GLY CA C 13 45.26 0.15 . 1 . . . . . 170 GLY CA . 51538 1 593 . 1 . 1 170 170 GLY N N 15 109.8 0.15 . 1 . . . . . 170 GLY N . 51538 1 594 . 1 . 1 171 171 VAL H H 1 7.976 0.02 . 1 . . . . . 171 VAL HN . 51538 1 595 . 1 . 1 171 171 VAL CA C 13 62.03 0.15 . 1 . . . . . 171 VAL CA . 51538 1 596 . 1 . 1 171 171 VAL CB C 13 32.97 0.15 . 1 . . . . . 171 VAL CB . 51538 1 597 . 1 . 1 171 171 VAL N N 15 119.5 0.15 . 1 . . . . . 171 VAL N . 51538 1 598 . 1 . 1 172 172 THR H H 1 8.438 0.02 . 1 . . . . . 172 THR HN . 51538 1 599 . 1 . 1 172 172 THR CA C 13 62.02 0.15 . 1 . . . . . 172 THR CA . 51538 1 600 . 1 . 1 172 172 THR CB C 13 69.86 0.15 . 1 . . . . . 172 THR CB . 51538 1 601 . 1 . 1 172 172 THR N N 15 120.1 0.15 . 1 . . . . . 172 THR N . 51538 1 602 . 1 . 1 173 173 ILE H H 1 8.386 0.02 . 1 . . . . . 173 ILE HN . 51538 1 603 . 1 . 1 173 173 ILE CA C 13 61.04 0.15 . 1 . . . . . 173 ILE CA . 51538 1 604 . 1 . 1 173 173 ILE CB C 13 38.61 0.15 . 1 . . . . . 173 ILE CB . 51538 1 605 . 1 . 1 173 173 ILE N N 15 125.7 0.15 . 1 . . . . . 173 ILE N . 51538 1 606 . 1 . 1 174 174 LYS H H 1 8.051 0.02 . 1 . . . . . 174 LYS HN . 51538 1 607 . 1 . 1 174 174 LYS CA C 13 57.7 0.15 . 1 . . . . . 174 LYS CA . 51538 1 608 . 1 . 1 174 174 LYS CB C 13 33.74 0.15 . 1 . . . . . 174 LYS CB . 51538 1 609 . 1 . 1 174 174 LYS N N 15 107.2 0.15 . 1 . . . . . 174 LYS N . 51538 1 stop_ save_