data_52967 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52967 _Entry.Title ; GRP7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-12 _Entry.Accession_date 2025-03-12 _Entry.Last_release_date 2025-04-15 _Entry.Original_release_date 2025-04-15 _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 . _Entry.Generated_software_label . _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 Adrien FAVIER . . . 0000-0003-2511-2300 52967 2 Bernhard BRUTSCHER . . . . 52967 3 Alicia VALLET . . . . 52967 4 Claude ALBAN . . . . 52967 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52967 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 52967 '15N chemical shifts' 80 52967 '1H chemical shifts' 108 52967 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 . . 2025-11-15 . original BMRB . 52967 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52967 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40633352 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Identification of uranyl-binding proteins in Arabidopsis thaliana cells exposed to uranium: Insights from a metalloproteomic analysis and characterization of Glycine-Rich RNA-binding protein 7 (GRP7) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Hazard. Mater.' _Citation.Journal_name_full 'Journal of hazardous materials' _Citation.Journal_volume 495 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-3336 _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 139163 _Citation.Page_last 139163 _Citation.Year 2025 _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 Benoit REVEL . . . . 52967 1 2 Adrien FAVIER . . . . 52967 1 3 Jacqueline Martin-Laffon . . . . 52967 1 4 Alicia VALLET . . . . 52967 1 5 Jonathan Przybyla-Toscano . . . . 52967 1 6 Sabine Brugiere . . . . 52967 1 7 Yohann Coute . . . . 52967 1 8 Helene Diemer . . . . 52967 1 9 Sarah Sanglier-Cianferani . . . . 52967 1 10 Thierry Rabilloud . . . . 52967 1 11 Bernhard BRUTSCHER . . . . 52967 1 12 Jacques Bourguignon . . . . 52967 1 13 Stephane Ravanel . . . . 52967 1 14 Claude ALBAN . . . . 52967 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52967 _Assembly.ID 1 _Assembly.Name 'Glycine-rich RNA-binding protein 7 WT' _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 16890 _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 GRP7 1 $entity_1 . . yes native no no . . . 52967 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA-binding protein' 52967 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52967 _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 ; MASGDVEYRCFVGGLAWATD DRALETAFAQYGDVIDSKII NDRETGRSRGFGFVTFKDEK AMKDAIEGMNGQDLDGRSIT VNEAQSRGSGGGGGHRGGGG GGYRSGGGGGYSGGGGSYGG GGGRREGGGGYSGGGGGYSS RGGGGGSYGGGRREGGGGYG GGEGGGYGGSGGGGGW ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA-binding protein' 52967 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52967 1 2 . ALA . 52967 1 3 . SER . 52967 1 4 . GLY . 52967 1 5 . ASP . 52967 1 6 . VAL . 52967 1 7 . GLU . 52967 1 8 . TYR . 52967 1 9 . ARG . 52967 1 10 . CYS . 52967 1 11 . PHE . 52967 1 12 . VAL . 52967 1 13 . GLY . 52967 1 14 . GLY . 52967 1 15 . LEU . 52967 1 16 . ALA . 52967 1 17 . TRP . 52967 1 18 . ALA . 52967 1 19 . THR . 52967 1 20 . ASP . 52967 1 21 . ASP . 52967 1 22 . ARG . 52967 1 23 . ALA . 52967 1 24 . LEU . 52967 1 25 . GLU . 52967 1 26 . THR . 52967 1 27 . ALA . 52967 1 28 . PHE . 52967 1 29 . ALA . 52967 1 30 . GLN . 52967 1 31 . TYR . 52967 1 32 . GLY . 52967 1 33 . ASP . 52967 1 34 . VAL . 52967 1 35 . ILE . 52967 1 36 . ASP . 52967 1 37 . SER . 52967 1 38 . LYS . 52967 1 39 . ILE . 52967 1 40 . ILE . 52967 1 41 . ASN . 52967 1 42 . ASP . 52967 1 43 . ARG . 52967 1 44 . GLU . 52967 1 45 . THR . 52967 1 46 . GLY . 52967 1 47 . ARG . 52967 1 48 . SER . 52967 1 49 . ARG . 52967 1 50 . GLY . 52967 1 51 . PHE . 52967 1 52 . GLY . 52967 1 53 . PHE . 52967 1 54 . VAL . 52967 1 55 . THR . 52967 1 56 . PHE . 52967 1 57 . LYS . 52967 1 58 . ASP . 52967 1 59 . GLU . 52967 1 60 . LYS . 52967 1 61 . ALA . 52967 1 62 . MET . 52967 1 63 . LYS . 52967 1 64 . ASP . 52967 1 65 . ALA . 52967 1 66 . ILE . 52967 1 67 . GLU . 52967 1 68 . GLY . 52967 1 69 . MET . 52967 1 70 . ASN . 52967 1 71 . GLY . 52967 1 72 . GLN . 52967 1 73 . ASP . 52967 1 74 . LEU . 52967 1 75 . ASP . 52967 1 76 . GLY . 52967 1 77 . ARG . 52967 1 78 . SER . 52967 1 79 . ILE . 52967 1 80 . THR . 52967 1 81 . VAL . 52967 1 82 . ASN . 52967 1 83 . GLU . 52967 1 84 . ALA . 52967 1 85 . GLN . 52967 1 86 . SER . 52967 1 87 . ARG . 52967 1 88 . GLY . 52967 1 89 . SER . 52967 1 90 . GLY . 52967 1 91 . GLY . 52967 1 92 . GLY . 52967 1 93 . GLY . 52967 1 94 . GLY . 52967 1 95 . HIS . 52967 1 96 . ARG . 52967 1 97 . GLY . 52967 1 98 . GLY . 52967 1 99 . GLY . 52967 1 100 . GLY . 52967 1 101 . GLY . 52967 1 102 . GLY . 52967 1 103 . TYR . 52967 1 104 . ARG . 52967 1 105 . SER . 52967 1 106 . GLY . 52967 1 107 . GLY . 52967 1 108 . GLY . 52967 1 109 . GLY . 52967 1 110 . GLY . 52967 1 111 . TYR . 52967 1 112 . SER . 52967 1 113 . GLY . 52967 1 114 . GLY . 52967 1 115 . GLY . 52967 1 116 . GLY . 52967 1 117 . SER . 52967 1 118 . TYR . 52967 1 119 . GLY . 52967 1 120 . GLY . 52967 1 121 . GLY . 52967 1 122 . GLY . 52967 1 123 . GLY . 52967 1 124 . ARG . 52967 1 125 . ARG . 52967 1 126 . GLU . 52967 1 127 . GLY . 52967 1 128 . GLY . 52967 1 129 . GLY . 52967 1 130 . GLY . 52967 1 131 . TYR . 52967 1 132 . SER . 52967 1 133 . GLY . 52967 1 134 . GLY . 52967 1 135 . GLY . 52967 1 136 . GLY . 52967 1 137 . GLY . 52967 1 138 . TYR . 52967 1 139 . SER . 52967 1 140 . SER . 52967 1 141 . ARG . 52967 1 142 . GLY . 52967 1 143 . GLY . 52967 1 144 . GLY . 52967 1 145 . GLY . 52967 1 146 . GLY . 52967 1 147 . SER . 52967 1 148 . TYR . 52967 1 149 . GLY . 52967 1 150 . GLY . 52967 1 151 . GLY . 52967 1 152 . ARG . 52967 1 153 . ARG . 52967 1 154 . GLU . 52967 1 155 . GLY . 52967 1 156 . GLY . 52967 1 157 . GLY . 52967 1 158 . GLY . 52967 1 159 . TYR . 52967 1 160 . GLY . 52967 1 161 . GLY . 52967 1 162 . GLY . 52967 1 163 . GLU . 52967 1 164 . GLY . 52967 1 165 . GLY . 52967 1 166 . GLY . 52967 1 167 . TYR . 52967 1 168 . GLY . 52967 1 169 . GLY . 52967 1 170 . SER . 52967 1 171 . GLY . 52967 1 172 . GLY . 52967 1 173 . GLY . 52967 1 174 . GLY . 52967 1 175 . GLY . 52967 1 176 . TRP . 52967 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 52967 1 . ALA 2 2 52967 1 . SER 3 3 52967 1 . GLY 4 4 52967 1 . ASP 5 5 52967 1 . VAL 6 6 52967 1 . GLU 7 7 52967 1 . TYR 8 8 52967 1 . ARG 9 9 52967 1 . CYS 10 10 52967 1 . PHE 11 11 52967 1 . VAL 12 12 52967 1 . GLY 13 13 52967 1 . GLY 14 14 52967 1 . LEU 15 15 52967 1 . ALA 16 16 52967 1 . TRP 17 17 52967 1 . ALA 18 18 52967 1 . THR 19 19 52967 1 . ASP 20 20 52967 1 . ASP 21 21 52967 1 . ARG 22 22 52967 1 . ALA 23 23 52967 1 . LEU 24 24 52967 1 . GLU 25 25 52967 1 . THR 26 26 52967 1 . ALA 27 27 52967 1 . PHE 28 28 52967 1 . ALA 29 29 52967 1 . GLN 30 30 52967 1 . TYR 31 31 52967 1 . GLY 32 32 52967 1 . ASP 33 33 52967 1 . VAL 34 34 52967 1 . ILE 35 35 52967 1 . ASP 36 36 52967 1 . SER 37 37 52967 1 . LYS 38 38 52967 1 . ILE 39 39 52967 1 . ILE 40 40 52967 1 . ASN 41 41 52967 1 . ASP 42 42 52967 1 . ARG 43 43 52967 1 . GLU 44 44 52967 1 . THR 45 45 52967 1 . GLY 46 46 52967 1 . ARG 47 47 52967 1 . SER 48 48 52967 1 . ARG 49 49 52967 1 . GLY 50 50 52967 1 . PHE 51 51 52967 1 . GLY 52 52 52967 1 . PHE 53 53 52967 1 . VAL 54 54 52967 1 . THR 55 55 52967 1 . PHE 56 56 52967 1 . LYS 57 57 52967 1 . ASP 58 58 52967 1 . GLU 59 59 52967 1 . LYS 60 60 52967 1 . ALA 61 61 52967 1 . MET 62 62 52967 1 . LYS 63 63 52967 1 . ASP 64 64 52967 1 . ALA 65 65 52967 1 . ILE 66 66 52967 1 . GLU 67 67 52967 1 . GLY 68 68 52967 1 . MET 69 69 52967 1 . ASN 70 70 52967 1 . GLY 71 71 52967 1 . GLN 72 72 52967 1 . ASP 73 73 52967 1 . LEU 74 74 52967 1 . ASP 75 75 52967 1 . GLY 76 76 52967 1 . ARG 77 77 52967 1 . SER 78 78 52967 1 . ILE 79 79 52967 1 . THR 80 80 52967 1 . VAL 81 81 52967 1 . ASN 82 82 52967 1 . GLU 83 83 52967 1 . ALA 84 84 52967 1 . GLN 85 85 52967 1 . SER 86 86 52967 1 . ARG 87 87 52967 1 . GLY 88 88 52967 1 . SER 89 89 52967 1 . GLY 90 90 52967 1 . GLY 91 91 52967 1 . GLY 92 92 52967 1 . GLY 93 93 52967 1 . GLY 94 94 52967 1 . HIS 95 95 52967 1 . ARG 96 96 52967 1 . GLY 97 97 52967 1 . GLY 98 98 52967 1 . GLY 99 99 52967 1 . GLY 100 100 52967 1 . GLY 101 101 52967 1 . GLY 102 102 52967 1 . TYR 103 103 52967 1 . ARG 104 104 52967 1 . SER 105 105 52967 1 . GLY 106 106 52967 1 . GLY 107 107 52967 1 . GLY 108 108 52967 1 . GLY 109 109 52967 1 . GLY 110 110 52967 1 . TYR 111 111 52967 1 . SER 112 112 52967 1 . GLY 113 113 52967 1 . GLY 114 114 52967 1 . GLY 115 115 52967 1 . GLY 116 116 52967 1 . SER 117 117 52967 1 . TYR 118 118 52967 1 . GLY 119 119 52967 1 . GLY 120 120 52967 1 . GLY 121 121 52967 1 . GLY 122 122 52967 1 . GLY 123 123 52967 1 . ARG 124 124 52967 1 . ARG 125 125 52967 1 . GLU 126 126 52967 1 . GLY 127 127 52967 1 . GLY 128 128 52967 1 . GLY 129 129 52967 1 . GLY 130 130 52967 1 . TYR 131 131 52967 1 . SER 132 132 52967 1 . GLY 133 133 52967 1 . GLY 134 134 52967 1 . GLY 135 135 52967 1 . GLY 136 136 52967 1 . GLY 137 137 52967 1 . TYR 138 138 52967 1 . SER 139 139 52967 1 . SER 140 140 52967 1 . ARG 141 141 52967 1 . GLY 142 142 52967 1 . GLY 143 143 52967 1 . GLY 144 144 52967 1 . GLY 145 145 52967 1 . GLY 146 146 52967 1 . SER 147 147 52967 1 . TYR 148 148 52967 1 . GLY 149 149 52967 1 . GLY 150 150 52967 1 . GLY 151 151 52967 1 . ARG 152 152 52967 1 . ARG 153 153 52967 1 . GLU 154 154 52967 1 . GLY 155 155 52967 1 . GLY 156 156 52967 1 . GLY 157 157 52967 1 . GLY 158 158 52967 1 . TYR 159 159 52967 1 . GLY 160 160 52967 1 . GLY 161 161 52967 1 . GLY 162 162 52967 1 . GLU 163 163 52967 1 . GLY 164 164 52967 1 . GLY 165 165 52967 1 . GLY 166 166 52967 1 . TYR 167 167 52967 1 . GLY 168 168 52967 1 . GLY 169 169 52967 1 . SER 170 170 52967 1 . GLY 171 171 52967 1 . GLY 172 172 52967 1 . GLY 173 173 52967 1 . GLY 174 174 52967 1 . GLY 175 175 52967 1 . TRP 176 176 52967 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 52967 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 52967 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 52967 _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 . . pET28 . . . 52967 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52967 _Sample.ID 1 _Sample.Name '15N-13C GRP7 WT' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'GRP7 WT' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 165 110 220 uM . . . . 52967 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 52967 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 52967 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'BB assignment' _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' 0.3 . M 52967 1 pH 7.5 . pH 52967 1 pressure 1 . atm 52967 1 temperature 300 . K 52967 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52967 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52967 1 processing . 52967 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52967 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52967 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52967 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52967 3 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 52967 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52967 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52967 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name '950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 52967 _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 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52967 1 2 '3D HNCACO' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52967 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52967 1 4 '3D HNCOCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52967 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52967 1 6 '3D HNCOCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52967 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 52967 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.2514 . . . . . 52967 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . 52967 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.1013 . . . . . 52967 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 52967 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'GRP7 WT' _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 '3D HNCO' . . . 52967 1 2 '3D HNCACO' . . . 52967 1 3 '3D HNCA' . . . 52967 1 4 '3D HNCOCA' . . . 52967 1 5 '3D HNCACB' . . . 52967 1 6 '3D HNCOCACB' . . . 52967 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 . . 52967 1 2 $software_2 . . 52967 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 5 5 ASP H H 1 8.140087156 . . 1 . . . . . 5 ASP H . 52967 1 2 . 1 . 1 5 5 ASP C C 13 175.9824483 0 . 1 . . . . . 5 ASP C . 52967 1 3 . 1 . 1 5 5 ASP CA C 13 54.5189036 0 . 1 . . . . . 5 ASP CA . 52967 1 4 . 1 . 1 5 5 ASP CB C 13 41.34226072 0 . 1 . . . . . 5 ASP CB . 52967 1 5 . 1 . 1 5 5 ASP N N 15 120.6161989 0.0000013 . 1 . . . . . 5 ASP N . 52967 1 6 . 1 . 1 6 6 VAL H H 1 8.052373623 0.00656438719 . 1 . . . . . 6 VAL H . 52967 1 7 . 1 . 1 6 6 VAL C C 13 174.649459 0 . 1 . . . . . 6 VAL C . 52967 1 8 . 1 . 1 6 6 VAL CA C 13 62.0421729 0 . 1 . . . . . 6 VAL CA . 52967 1 9 . 1 . 1 6 6 VAL CB C 13 33.08771317 0 . 1 . . . . . 6 VAL CB . 52967 1 10 . 1 . 1 6 6 VAL N N 15 120.150923 0.0000013 . 1 . . . . . 6 VAL N . 52967 1 11 . 1 . 1 7 7 GLU H H 1 7.981124892 0.00656438719 . 1 . . . . . 7 GLU H . 52967 1 12 . 1 . 1 7 7 GLU C C 13 175.3015755 0.0000019 . 1 . . . . . 7 GLU C . 52967 1 13 . 1 . 1 7 7 GLU CA C 13 54.81209583 0 . 1 . . . . . 7 GLU CA . 52967 1 14 . 1 . 1 7 7 GLU CB C 13 32.27748222 0 . 1 . . . . . 7 GLU CB . 52967 1 15 . 1 . 1 7 7 GLU N N 15 123.0845464 0.0000013 . 1 . . . . . 7 GLU N . 52967 1 16 . 1 . 1 8 8 TYR H H 1 8.531713633 0.006564387191 . 1 . . . . . 8 TYR H . 52967 1 17 . 1 . 1 8 8 TYR C C 13 174.2464948 0.0000033 . 1 . . . . . 8 TYR C . 52967 1 18 . 1 . 1 8 8 TYR CA C 13 57.62181564 0 . 1 . . . . . 8 TYR CA . 52967 1 19 . 1 . 1 8 8 TYR CB C 13 37.19414412 0 . 1 . . . . . 8 TYR CB . 52967 1 20 . 1 . 1 8 8 TYR N N 15 124.3358113 0.0000019 . 1 . . . . . 8 TYR N . 52967 1 21 . 1 . 1 9 9 ARG H H 1 8.345365526 0.00656438719 . 1 . . . . . 9 ARG H . 52967 1 22 . 1 . 1 9 9 ARG C C 13 175.5324054 0.0000019 . 1 . . . . . 9 ARG C . 52967 1 23 . 1 . 1 9 9 ARG CA C 13 54.87160697 0 . 1 . . . . . 9 ARG CA . 52967 1 24 . 1 . 1 9 9 ARG CB C 13 34.61275312 0 . 1 . . . . . 9 ARG CB . 52967 1 25 . 1 . 1 9 9 ARG N N 15 124.5965715 0.0000019 . 1 . . . . . 9 ARG N . 52967 1 26 . 1 . 1 10 10 CYS H H 1 9.708330475 0.00656438719 . 1 . . . . . 10 CYS H . 52967 1 27 . 1 . 1 10 10 CYS C C 13 174.1986453 0.0000033 . 1 . . . . . 10 CYS C . 52967 1 28 . 1 . 1 10 10 CYS CA C 13 57.55981623 0 . 1 . . . . . 10 CYS CA . 52967 1 29 . 1 . 1 10 10 CYS CB C 13 30.08640327 0 . 1 . . . . . 10 CYS CB . 52967 1 30 . 1 . 1 10 10 CYS N N 15 121.818665 0.0000013 . 1 . . . . . 10 CYS N . 52967 1 31 . 1 . 1 11 11 PHE H H 1 9.222715494 0.006919471651 . 1 . . . . . 11 PHE H . 52967 1 32 . 1 . 1 11 11 PHE CA C 13 57.5154686 0 . 1 . . . . . 11 PHE CA . 52967 1 33 . 1 . 1 11 11 PHE N N 15 125.6514728 0 . 1 . . . . . 11 PHE N . 52967 1 34 . 1 . 1 12 12 VAL H H 1 8.004506699 0 . 1 . . . . . 12 VAL H . 52967 1 35 . 1 . 1 12 12 VAL C C 13 173.7283439 0 . 1 . . . . . 12 VAL C . 52967 1 36 . 1 . 1 12 12 VAL CA C 13 59.88740918 0 . 1 . . . . . 12 VAL CA . 52967 1 37 . 1 . 1 12 12 VAL N N 15 127.7261119 0.0000019 . 1 . . . . . 12 VAL N . 52967 1 38 . 1 . 1 13 13 GLY H H 1 9.050347396 0.007339207993 . 1 . . . . . 13 GLY H . 52967 1 39 . 1 . 1 13 13 GLY C C 13 173.8397156 0.0000019 . 1 . . . . . 13 GLY C . 52967 1 40 . 1 . 1 13 13 GLY CA C 13 43.52965697 0 . 1 . . . . . 13 GLY CA . 52967 1 41 . 1 . 1 13 13 GLY N N 15 111.5509597 0 . 1 . . . . . 13 GLY N . 52967 1 42 . 1 . 1 14 14 GLY H H 1 8.122332677 0.008929028073 . 1 . . . . . 14 GLY H . 52967 1 43 . 1 . 1 14 14 GLY C C 13 175.1241794 0 . 1 . . . . . 14 GLY C . 52967 1 44 . 1 . 1 14 14 GLY CA C 13 45.97413395 0 . 1 . . . . . 14 GLY CA . 52967 1 45 . 1 . 1 14 14 GLY N N 15 107.0145319 0.02831351823 . 1 . . . . . 14 GLY N . 52967 1 46 . 1 . 1 15 15 LEU H H 1 7.663962969 0.007276735283 . 1 . . . . . 15 LEU H . 52967 1 47 . 1 . 1 15 15 LEU C C 13 178.6537408 0 . 1 . . . . . 15 LEU C . 52967 1 48 . 1 . 1 15 15 LEU CA C 13 54.21708811 0 . 1 . . . . . 15 LEU CA . 52967 1 49 . 1 . 1 15 15 LEU N N 15 115.5928615 0.004990524756 . 1 . . . . . 15 LEU N . 52967 1 50 . 1 . 1 16 16 ALA H H 1 9.620111131 0.007007968281 . 1 . . . . . 16 ALA H . 52967 1 51 . 1 . 1 16 16 ALA C C 13 179.6932414 . . 1 . . . . . 16 ALA C . 52967 1 52 . 1 . 1 16 16 ALA CA C 13 51.58374227 0 . 1 . . . . . 16 ALA CA . 52967 1 53 . 1 . 1 16 16 ALA CB C 13 18.96435419 . . 1 . . . . . 16 ALA CB . 52967 1 54 . 1 . 1 16 16 ALA N N 15 124.2112461 0.004162592299 . 1 . . . . . 16 ALA N . 52967 1 55 . 1 . 1 17 17 TRP H H 1 8.069130037 . . 1 . . . . . 17 TRP H . 52967 1 56 . 1 . 1 18 18 ALA H H 1 7.481630849 0.00002859 . 1 . . . . . 18 ALA H . 52967 1 57 . 1 . 1 18 18 ALA HA H 1 4.093999036 0 . 1 . . . . . 18 ALA HA . 52967 1 58 . 1 . 1 18 18 ALA HB1 H 1 1.125397638 0 . 1 . . . . . 18 ALA HB . 52967 1 59 . 1 . 1 18 18 ALA HB2 H 1 1.125397638 0 . 1 . . . . . 18 ALA HB . 52967 1 60 . 1 . 1 18 18 ALA HB3 H 1 1.125397638 0 . 1 . . . . . 18 ALA HB . 52967 1 61 . 1 . 1 18 18 ALA C C 13 178.3840082 0 . 1 . . . . . 18 ALA C . 52967 1 62 . 1 . 1 18 18 ALA CA C 13 52.82442083 0 . 1 . . . . . 18 ALA CA . 52967 1 63 . 1 . 1 18 18 ALA CB C 13 19.16347104 0 . 1 . . . . . 18 ALA CB . 52967 1 64 . 1 . 1 18 18 ALA N N 15 116.2612844 0.003134957402 . 1 . . . . . 18 ALA N . 52967 1 65 . 1 . 1 19 19 THR H H 1 7.376015454 0.006564387189 . 1 . . . . . 19 THR H . 52967 1 66 . 1 . 1 19 19 THR C C 13 173.1716957 0 . 1 . . . . . 19 THR C . 52967 1 67 . 1 . 1 19 19 THR CA C 13 65.09946483 0 . 1 . . . . . 19 THR CA . 52967 1 68 . 1 . 1 19 19 THR CB C 13 68.51094295 0 . 1 . . . . . 19 THR CB . 52967 1 69 . 1 . 1 19 19 THR N N 15 117.5638967 0.000002697 . 1 . . . . . 19 THR N . 52967 1 70 . 1 . 1 20 20 ASP H H 1 7.740256087 0.006564387189 . 1 . . . . . 20 ASP H . 52967 1 71 . 1 . 1 20 20 ASP C C 13 175.6489044 0 . 1 . . . . . 20 ASP C . 52967 1 72 . 1 . 1 20 20 ASP CA C 13 51.78725634 0 . 1 . . . . . 20 ASP CA . 52967 1 73 . 1 . 1 20 20 ASP CB C 13 42.42728072 0 . 1 . . . . . 20 ASP CB . 52967 1 74 . 1 . 1 20 20 ASP N N 15 128.0074188 0.0000019 . 1 . . . . . 20 ASP N . 52967 1 75 . 1 . 1 21 21 ASP H H 1 8.415863713 0.006564387189 . 1 . . . . . 21 ASP H . 52967 1 76 . 1 . 1 21 21 ASP C C 13 178.9198396 0.0000033 . 1 . . . . . 21 ASP C . 52967 1 77 . 1 . 1 21 21 ASP CA C 13 57.61332029 0 . 1 . . . . . 21 ASP CA . 52967 1 78 . 1 . 1 21 21 ASP CB C 13 40.05081704 0 . 1 . . . . . 21 ASP CB . 52967 1 79 . 1 . 1 21 21 ASP N N 15 117.5287333 0.000002336 . 1 . . . . . 21 ASP N . 52967 1 80 . 1 . 1 22 22 ARG H H 1 7.900874487 0.006523740438 . 1 . . . . . 22 ARG H . 52967 1 81 . 1 . 1 22 22 ARG CA C 13 58.3390348 0 . 1 . . . . . 22 ARG CA . 52967 1 82 . 1 . 1 22 22 ARG CB C 13 29.60624239 0 . 1 . . . . . 22 ARG CB . 52967 1 83 . 1 . 1 22 22 ARG N N 15 121.1857242 0.0000019 . 1 . . . . . 22 ARG N . 52967 1 84 . 1 . 1 23 23 ALA H H 1 8.392246728 0 . 1 . . . . . 23 ALA H . 52967 1 85 . 1 . 1 23 23 ALA HA H 1 4.172663718 0.0000000596 . 1 . . . . . 23 ALA HA . 52967 1 86 . 1 . 1 23 23 ALA HB1 H 1 1.681849572 0 . 1 . . . . . 23 ALA HB . 52967 1 87 . 1 . 1 23 23 ALA HB2 H 1 1.681849572 0 . 1 . . . . . 23 ALA HB . 52967 1 88 . 1 . 1 23 23 ALA HB3 H 1 1.681849572 0 . 1 . . . . . 23 ALA HB . 52967 1 89 . 1 . 1 23 23 ALA C C 13 181.279756 0 . 1 . . . . . 23 ALA C . 52967 1 90 . 1 . 1 23 23 ALA CA C 13 55.07980156 0 . 1 . . . . . 23 ALA CA . 52967 1 91 . 1 . 1 23 23 ALA CB C 13 19.22521235 0 . 1 . . . . . 23 ALA CB . 52967 1 92 . 1 . 1 23 23 ALA N N 15 125.1240222 0.0000013 . 1 . . . . . 23 ALA N . 52967 1 93 . 1 . 1 24 24 LEU H H 1 8.041899428 0.006564387192 . 1 . . . . . 24 LEU H . 52967 1 94 . 1 . 1 24 24 LEU C C 13 177.7872229 0 . 1 . . . . . 24 LEU C . 52967 1 95 . 1 . 1 24 24 LEU CA C 13 58.11934305 0 . 1 . . . . . 24 LEU CA . 52967 1 96 . 1 . 1 24 24 LEU CB C 13 42.56710929 0 . 1 . . . . . 24 LEU CB . 52967 1 97 . 1 . 1 24 24 LEU N N 15 118.7842899 0.0000013 . 1 . . . . . 24 LEU N . 52967 1 98 . 1 . 1 25 25 GLU H H 1 7.999406238 0.006564387188 . 1 . . . . . 25 GLU H . 52967 1 99 . 1 . 1 25 25 GLU C C 13 178.1854669 0.0000033 . 1 . . . . . 25 GLU C . 52967 1 100 . 1 . 1 25 25 GLU CA C 13 60.7235862 0 . 1 . . . . . 25 GLU CA . 52967 1 101 . 1 . 1 25 25 GLU CB C 13 29.56471785 0 . 1 . . . . . 25 GLU CB . 52967 1 102 . 1 . 1 25 25 GLU N N 15 119.1753808 0.0000019 . 1 . . . . . 25 GLU N . 52967 1 103 . 1 . 1 26 26 THR H H 1 8.439363108 0.006564387191 . 1 . . . . . 26 THR H . 52967 1 104 . 1 . 1 26 26 THR C C 13 176.591548 0 . 1 . . . . . 26 THR C . 52967 1 105 . 1 . 1 26 26 THR CA C 13 66.43650355 0 . 1 . . . . . 26 THR CA . 52967 1 106 . 1 . 1 26 26 THR CB C 13 69.27919087 0 . 1 . . . . . 26 THR CB . 52967 1 107 . 1 . 1 26 26 THR N N 15 112.992658 0.0000013 . 1 . . . . . 26 THR N . 52967 1 108 . 1 . 1 27 27 ALA H H 1 7.757880633 0.006564387189 . 1 . . . . . 27 ALA H . 52967 1 109 . 1 . 1 27 27 ALA HA H 1 4.24319035 0 . 1 . . . . . 27 ALA HA . 52967 1 110 . 1 . 1 27 27 ALA HB1 H 1 1.529511499 0 . 1 . . . . . 27 ALA HB . 52967 1 111 . 1 . 1 27 27 ALA HB2 H 1 1.529511499 0 . 1 . . . . . 27 ALA HB . 52967 1 112 . 1 . 1 27 27 ALA HB3 H 1 1.529511499 0 . 1 . . . . . 27 ALA HB . 52967 1 113 . 1 . 1 27 27 ALA C C 13 179.1816064 0 . 1 . . . . . 27 ALA C . 52967 1 114 . 1 . 1 27 27 ALA CA C 13 54.7717922 0 . 1 . . . . . 27 ALA CA . 52967 1 115 . 1 . 1 27 27 ALA CB C 13 18.89721765 0 . 1 . . . . . 27 ALA CB . 52967 1 116 . 1 . 1 27 27 ALA N N 15 122.0296452 0.000002336 . 1 . . . . . 27 ALA N . 52967 1 117 . 1 . 1 28 28 PHE H H 1 8.091446226 0.006564387188 . 1 . . . . . 28 PHE H . 52967 1 118 . 1 . 1 28 28 PHE C C 13 176.979028 0 . 1 . . . . . 28 PHE C . 52967 1 119 . 1 . 1 28 28 PHE CA C 13 61.31942659 0 . 1 . . . . . 28 PHE CA . 52967 1 120 . 1 . 1 28 28 PHE CB C 13 39.74655357 0 . 1 . . . . . 28 PHE CB . 52967 1 121 . 1 . 1 28 28 PHE N N 15 114.6137675 0 . 1 . . . . . 28 PHE N . 52967 1 122 . 1 . 1 29 29 ALA H H 1 8.544660925 0.006564387187 . 1 . . . . . 29 ALA H . 52967 1 123 . 1 . 1 29 29 ALA HA H 1 4.889320367 0 . 1 . . . . . 29 ALA HA . 52967 1 124 . 1 . 1 29 29 ALA HB1 H 1 1.628335612 0 . 1 . . . . . 29 ALA HB . 52967 1 125 . 1 . 1 29 29 ALA HB2 H 1 1.628335612 0 . 1 . . . . . 29 ALA HB . 52967 1 126 . 1 . 1 29 29 ALA HB3 H 1 1.628335612 0 . 1 . . . . . 29 ALA HB . 52967 1 127 . 1 . 1 29 29 ALA C C 13 178.871857 0 . 1 . . . . . 29 ALA C . 52967 1 128 . 1 . 1 29 29 ALA CA C 13 54.16361756 0 . 1 . . . . . 29 ALA CA . 52967 1 129 . 1 . 1 29 29 ALA CB C 13 18.17862201 0 . 1 . . . . . 29 ALA CB . 52967 1 130 . 1 . 1 29 29 ALA N N 15 122.9580005 0 . 1 . . . . . 29 ALA N . 52967 1 131 . 1 . 1 30 30 GLN H H 1 7.34076636 0.006564387188 . 1 . . . . . 30 GLN H . 52967 1 132 . 1 . 1 30 30 GLN C C 13 176.6497069 0.000002697 . 1 . . . . . 30 GLN C . 52967 1 133 . 1 . 1 30 30 GLN CA C 13 57.33289206 0 . 1 . . . . . 30 GLN CA . 52967 1 134 . 1 . 1 30 30 GLN CB C 13 28.67757499 0 . 1 . . . . . 30 GLN CB . 52967 1 135 . 1 . 1 30 30 GLN N N 15 113.6959255 0.0000013 . 1 . . . . . 30 GLN N . 52967 1 136 . 1 . 1 31 31 TYR H H 1 7.851878216 0.006919471653 . 1 . . . . . 31 TYR H . 52967 1 137 . 1 . 1 31 31 TYR C C 13 174.8621375 0 . 1 . . . . . 31 TYR C . 52967 1 138 . 1 . 1 31 31 TYR CA C 13 59.88767235 0 . 1 . . . . . 31 TYR CA . 52967 1 139 . 1 . 1 31 31 TYR N N 15 116.5441588 0.0000019 . 1 . . . . . 31 TYR N . 52967 1 140 . 1 . 1 32 32 GLY H H 1 7.511136979 0.007339207993 . 1 . . . . . 32 GLY H . 52967 1 141 . 1 . 1 32 32 GLY C C 13 170.9111837 0 . 1 . . . . . 32 GLY C . 52967 1 142 . 1 . 1 32 32 GLY CA C 13 44.68026611 0 . 1 . . . . . 32 GLY CA . 52967 1 143 . 1 . 1 32 32 GLY N N 15 105.5731861 0.0000013 . 1 . . . . . 32 GLY N . 52967 1 144 . 1 . 1 33 33 ASP H H 1 8.216118849 0.006919471657 . 1 . . . . . 33 ASP H . 52967 1 145 . 1 . 1 33 33 ASP C C 13 175.8826465 0 . 1 . . . . . 33 ASP C . 52967 1 146 . 1 . 1 33 33 ASP CA C 13 55.49340262 0 . 1 . . . . . 33 ASP CA . 52967 1 147 . 1 . 1 33 33 ASP CB C 13 41.10754332 0 . 1 . . . . . 33 ASP CB . 52967 1 148 . 1 . 1 33 33 ASP N N 15 116.7199757 0.0000019 . 1 . . . . . 33 ASP N . 52967 1 149 . 1 . 1 34 34 VAL H H 1 8.768354648 0.006564387191 . 1 . . . . . 34 VAL H . 52967 1 150 . 1 . 1 34 34 VAL C C 13 177.0507217 0.0000033 . 1 . . . . . 34 VAL C . 52967 1 151 . 1 . 1 34 34 VAL CA C 13 62.26034783 0 . 1 . . . . . 34 VAL CA . 52967 1 152 . 1 . 1 34 34 VAL CB C 13 32.99713577 0 . 1 . . . . . 34 VAL CB . 52967 1 153 . 1 . 1 34 34 VAL N N 15 127.550295 0.0000019 . 1 . . . . . 34 VAL N . 52967 1 154 . 1 . 1 35 35 ILE H H 1 8.762479799 0.006919471656 . 1 . . . . . 35 ILE H . 52967 1 155 . 1 . 1 35 35 ILE C C 13 175.8045885 0 . 1 . . . . . 35 ILE C . 52967 1 156 . 1 . 1 35 35 ILE CA C 13 61.40415808 0 . 1 . . . . . 35 ILE CA . 52967 1 157 . 1 . 1 35 35 ILE N N 15 124.5965715 0.0000013 . 1 . . . . . 35 ILE N . 52967 1 158 . 1 . 1 36 36 ASP H H 1 7.428889094 0.006919471654 . 1 . . . . . 36 ASP H . 52967 1 159 . 1 . 1 36 36 ASP C C 13 173.5256833 0 . 1 . . . . . 36 ASP C . 52967 1 160 . 1 . 1 36 36 ASP CA C 13 54.49457327 0 . 1 . . . . . 36 ASP CA . 52967 1 161 . 1 . 1 36 36 ASP CB C 13 44.33608258 0 . 1 . . . . . 36 ASP CB . 52967 1 162 . 1 . 1 36 36 ASP N N 15 118.161674 0.0000019 . 1 . . . . . 36 ASP N . 52967 1 163 . 1 . 1 37 37 SER H H 1 7.99287459 0.006564387187 . 1 . . . . . 37 SER H . 52967 1 164 . 1 . 1 37 37 SER C C 13 173.0098101 0 . 1 . . . . . 37 SER C . 52967 1 165 . 1 . 1 37 37 SER CA C 13 57.33943688 0 . 1 . . . . . 37 SER CA . 52967 1 166 . 1 . 1 37 37 SER CB C 13 64.89378716 0 . 1 . . . . . 37 SER CB . 52967 1 167 . 1 . 1 37 37 SER N N 15 117.5287333 0.000002336 . 1 . . . . . 37 SER N . 52967 1 168 . 1 . 1 38 38 LYS H H 1 8.484335686 0.007444713546 . 1 . . . . . 38 LYS H . 52967 1 169 . 1 . 1 38 38 LYS C C 13 174.3281468 0 . 1 . . . . . 38 LYS C . 52967 1 170 . 1 . 1 38 38 LYS CA C 13 54.85545046 0 . 1 . . . . . 38 LYS CA . 52967 1 171 . 1 . 1 38 38 LYS CB C 13 36.71474836 0 . 1 . . . . . 38 LYS CB . 52967 1 172 . 1 . 1 38 38 LYS N N 15 123.5968964 0.03913794274 . 1 . . . . . 38 LYS N . 52967 1 173 . 1 . 1 39 39 ILE H H 1 8.503242427 0.006919471653 . 1 . . . . . 39 ILE H . 52967 1 174 . 1 . 1 39 39 ILE C C 13 176.0461595 0.0000038 . 1 . . . . . 39 ILE C . 52967 1 175 . 1 . 1 39 39 ILE CA C 13 58.90729758 0 . 1 . . . . . 39 ILE CA . 52967 1 176 . 1 . 1 39 39 ILE N N 15 124.0936882 0.0000019 . 1 . . . . . 39 ILE N . 52967 1 177 . 1 . 1 40 40 ILE H H 1 8.292491885 0.006919471654 . 1 . . . . . 40 ILE H . 52967 1 178 . 1 . 1 40 40 ILE C C 13 174.0291586 0 . 1 . . . . . 40 ILE C . 52967 1 179 . 1 . 1 40 40 ILE CA C 13 58.87092984 0 . 1 . . . . . 40 ILE CA . 52967 1 180 . 1 . 1 40 40 ILE CB C 13 37.86400835 0 . 1 . . . . . 40 ILE CB . 52967 1 181 . 1 . 1 40 40 ILE N N 15 127.3393147 0.0000013 . 1 . . . . . 40 ILE N . 52967 1 182 . 1 . 1 41 41 ASN H H 1 8.269212203 0.006394716962 . 1 . . . . . 41 ASN H . 52967 1 183 . 1 . 1 41 41 ASN C C 13 175.5619749 0 . 1 . . . . . 41 ASN C . 52967 1 184 . 1 . 1 41 41 ASN CA C 13 51.5383166 0 . 1 . . . . . 41 ASN CA . 52967 1 185 . 1 . 1 41 41 ASN CB C 13 41.01413602 0 . 1 . . . . . 41 ASN CB . 52967 1 186 . 1 . 1 41 41 ASN N N 15 124.3149472 0.0009520946772 . 1 . . . . . 41 ASN N . 52967 1 187 . 1 . 1 42 42 ASP H H 1 8.909351022 0.006564387189 . 1 . . . . . 42 ASP H . 52967 1 188 . 1 . 1 42 42 ASP C C 13 177.5097185 . . 1 . . . . . 42 ASP C . 52967 1 189 . 1 . 1 42 42 ASP CA C 13 54.19430405 0 . 1 . . . . . 42 ASP CA . 52967 1 190 . 1 . 1 42 42 ASP CB C 13 42.87263585 . . 1 . . . . . 42 ASP CB . 52967 1 191 . 1 . 1 42 42 ASP N N 15 122.381279 0.0000013 . 1 . . . . . 42 ASP N . 52967 1 192 . 1 . 1 44 44 GLU H H 1 8.604123282 0.006188732556 . 1 . . . . . 44 GLU H . 52967 1 193 . 1 . 1 44 44 GLU C C 13 178.4259208 0 . 1 . . . . . 44 GLU C . 52967 1 194 . 1 . 1 44 44 GLU CA C 13 58.5849922 0 . 1 . . . . . 44 GLU CA . 52967 1 195 . 1 . 1 44 44 GLU CB C 13 30.21275703 0 . 1 . . . . . 44 GLU CB . 52967 1 196 . 1 . 1 44 44 GLU N N 15 117.7882686 0.02725395661 . 1 . . . . . 44 GLU N . 52967 1 197 . 1 . 1 45 45 THR H H 1 8.125871178 0.00723886321 . 1 . . . . . 45 THR H . 52967 1 198 . 1 . 1 45 45 THR C C 13 176.8118489 0.0000019 . 1 . . . . . 45 THR C . 52967 1 199 . 1 . 1 45 45 THR CA C 13 61.90178211 0 . 1 . . . . . 45 THR CA . 52967 1 200 . 1 . 1 45 45 THR CB C 13 71.126896 0 . 1 . . . . . 45 THR CB . 52967 1 201 . 1 . 1 45 45 THR N N 15 106.9989159 0.03473353487 . 1 . . . . . 45 THR N . 52967 1 202 . 1 . 1 46 46 GLY H H 1 8.274867339 0.006919471652 . 1 . . . . . 46 GLY H . 52967 1 203 . 1 . 1 46 46 GLY HA2 H 1 4.182084583 0 . 1 . . . . . 46 GLY HA2 . 52967 1 204 . 1 . 1 46 46 GLY HA3 H 1 3.7638 0 . 1 . . . . . 46 GLY HA3 . 52967 1 205 . 1 . 1 46 46 GLY C C 13 173.7338719 0.0000033 . 1 . . . . . 46 GLY C . 52967 1 206 . 1 . 1 46 46 GLY CA C 13 45.86037851 0 . 1 . . . . . 46 GLY CA . 52967 1 207 . 1 . 1 46 46 GLY N N 15 111.0235091 0.000002697 . 1 . . . . . 46 GLY N . 52967 1 208 . 1 . 1 47 47 ARG H H 1 7.728506389 0.006919471653 . 1 . . . . . 47 ARG H . 52967 1 209 . 1 . 1 47 47 ARG C C 13 175.964071 0 . 1 . . . . . 47 ARG C . 52967 1 210 . 1 . 1 47 47 ARG CA C 13 55.44964321 0 . 1 . . . . . 47 ARG CA . 52967 1 211 . 1 . 1 47 47 ARG CB C 13 31.94230943 0 . 1 . . . . . 47 ARG CB . 52967 1 212 . 1 . 1 47 47 ARG N N 15 119.568209 0.0000013 . 1 . . . . . 47 ARG N . 52967 1 213 . 1 . 1 48 48 SER H H 1 8.552982717 0.006919471654 . 1 . . . . . 48 SER H . 52967 1 214 . 1 . 1 48 48 SER CA C 13 58.50892738 0 . 1 . . . . . 48 SER CA . 52967 1 215 . 1 . 1 48 48 SER N N 15 116.9309559 0.0000013 . 1 . . . . . 48 SER N . 52967 1 216 . 1 . 1 49 49 ARG H H 1 9.226475275 0 . 1 . . . . . 49 ARG H . 52967 1 217 . 1 . 1 49 49 ARG CA C 13 56.54247458 0 . 1 . . . . . 49 ARG CA . 52967 1 218 . 1 . 1 49 49 ARG N N 15 123.9636308 0 . 1 . . . . . 49 ARG N . 52967 1 219 . 1 . 1 50 50 GLY H H 1 9.496718325 0 . 1 . . . . . 50 GLY H . 52967 1 220 . 1 . 1 50 50 GLY CA C 13 45.79198781 0 . 1 . . . . . 50 GLY CA . 52967 1 221 . 1 . 1 50 50 GLY N N 15 108.104949 0.0000019 . 1 . . . . . 50 GLY N . 52967 1 222 . 1 . 1 51 51 PHE H H 1 7.193777548 0 . 1 . . . . . 51 PHE H . 52967 1 223 . 1 . 1 51 51 PHE C C 13 172.4086532 0 . 1 . . . . . 51 PHE C . 52967 1 224 . 1 . 1 51 51 PHE CA C 13 54.82722026 0 . 1 . . . . . 51 PHE CA . 52967 1 225 . 1 . 1 51 51 PHE CB C 13 41.76736682 0 . 1 . . . . . 51 PHE CB . 52967 1 226 . 1 . 1 51 51 PHE N N 15 113.0278214 0 . 1 . . . . . 51 PHE N . 52967 1 227 . 1 . 1 52 52 GLY H H 1 8.832977986 0.006919471653 . 1 . . . . . 52 GLY H . 52967 1 228 . 1 . 1 52 52 GLY HA2 H 1 3.980438072 0 . 1 . . . . . 52 GLY HA2 . 52967 1 229 . 1 . 1 52 52 GLY HA3 H 1 3.91645624 0.000000042 . 1 . . . . . 52 GLY HA3 . 52967 1 230 . 1 . 1 52 52 GLY C C 13 169.8810541 0.0000019 . 1 . . . . . 52 GLY C . 52967 1 231 . 1 . 1 52 52 GLY CA C 13 45.46351049 0 . 1 . . . . . 52 GLY CA . 52967 1 232 . 1 . 1 52 52 GLY N N 15 106.0303099 0.0000013 . 1 . . . . . 52 GLY N . 52967 1 233 . 1 . 1 53 53 PHE H H 1 8.686106763 0.007339207994 . 1 . . . . . 53 PHE H . 52967 1 234 . 1 . 1 53 53 PHE C C 13 175.3576961 0 . 1 . . . . . 53 PHE C . 52967 1 235 . 1 . 1 53 53 PHE CA C 13 56.14854108 0 . 1 . . . . . 53 PHE CA . 52967 1 236 . 1 . 1 53 53 PHE N N 15 113.555272 0 . 1 . . . . . 53 PHE N . 52967 1 237 . 1 . 1 54 54 VAL H H 1 8.439363108 0.006919471654 . 1 . . . . . 54 VAL H . 52967 1 238 . 1 . 1 54 54 VAL C C 13 174.0934847 0.0000019 . 1 . . . . . 54 VAL C . 52967 1 239 . 1 . 1 54 54 VAL CA C 13 60.99672488 0 . 1 . . . . . 54 VAL CA . 52967 1 240 . 1 . 1 54 54 VAL CB C 13 35.07049954 0 . 1 . . . . . 54 VAL CB . 52967 1 241 . 1 . 1 54 54 VAL N N 15 120.4824567 0.0000013 . 1 . . . . . 54 VAL N . 52967 1 242 . 1 . 1 55 55 THR H H 1 8.803603742 0.006564387191 . 1 . . . . . 55 THR H . 52967 1 243 . 1 . 1 55 55 THR C C 13 173.1878065 0 . 1 . . . . . 55 THR C . 52967 1 244 . 1 . 1 55 55 THR CA C 13 61.79020354 0 . 1 . . . . . 55 THR CA . 52967 1 245 . 1 . 1 55 55 THR CB C 13 69.66120444 0 . 1 . . . . . 55 THR CB . 52967 1 246 . 1 . 1 55 55 THR N N 15 122.6274226 0.0000019 . 1 . . . . . 55 THR N . 52967 1 247 . 1 . 1 56 56 PHE H H 1 9.227712036 0.002631974026 . 1 . . . . . 56 PHE H . 52967 1 248 . 1 . 1 56 56 PHE C C 13 175.1947345 0 . 1 . . . . . 56 PHE C . 52967 1 249 . 1 . 1 56 56 PHE CA C 13 58.53663292 0 . 1 . . . . . 56 PHE CA . 52967 1 250 . 1 . 1 56 56 PHE CB C 13 42.80 0 . 1 . . . . . 56 PHE CB . 52967 1 251 . 1 . 1 56 56 PHE N N 15 125.8401384 0.003642740038 . 1 . . . . . 56 PHE N . 52967 1 252 . 1 . 1 57 57 LYS H H 1 8.773431839 0.006252248273 . 1 . . . . . 57 LYS H . 52967 1 253 . 1 . 1 57 57 LYS C C 13 175.7587326 0 . 1 . . . . . 57 LYS C . 52967 1 254 . 1 . 1 57 57 LYS CA C 13 57.55372348 0 . 1 . . . . . 57 LYS CA . 52967 1 255 . 1 . 1 57 57 LYS CB C 13 34.04110625 0 . 1 . . . . . 57 LYS CB . 52967 1 256 . 1 . 1 57 57 LYS N N 15 118.7524962 0.01555238409 . 1 . . . . . 57 LYS N . 52967 1 257 . 1 . 1 58 58 ASP H H 1 7.922376403 0.006564387189 . 1 . . . . . 58 ASP H . 52967 1 258 . 1 . 1 58 58 ASP C C 13 174.1925668 0 . 1 . . . . . 58 ASP C . 52967 1 259 . 1 . 1 58 58 ASP CA C 13 52.67029036 0 . 1 . . . . . 58 ASP CA . 52967 1 260 . 1 . 1 58 58 ASP CB C 13 44.54114749 0 . 1 . . . . . 58 ASP CB . 52967 1 261 . 1 . 1 58 58 ASP N N 15 115.7354012 0.0000013 . 1 . . . . . 58 ASP N . 52967 1 262 . 1 . 1 59 59 GLU H H 1 7.898877008 0.006564387189 . 1 . . . . . 59 GLU H . 52967 1 263 . 1 . 1 59 59 GLU C C 13 177.5740297 0.0000019 . 1 . . . . . 59 GLU C . 52967 1 264 . 1 . 1 59 59 GLU CA C 13 59.04076485 0 . 1 . . . . . 59 GLU CA . 52967 1 265 . 1 . 1 59 59 GLU CB C 13 30.24179814 0 . 1 . . . . . 59 GLU CB . 52967 1 266 . 1 . 1 59 59 GLU N N 15 123.6119971 0.0000013 . 1 . . . . . 59 GLU N . 52967 1 267 . 1 . 1 60 60 LYS H H 1 8.093735845 0.006564387191 . 1 . . . . . 60 LYS H . 52967 1 268 . 1 . 1 60 60 LYS C C 13 177.5008051 0 . 1 . . . . . 60 LYS C . 52967 1 269 . 1 . 1 60 60 LYS CA C 13 59.14515533 0 . 1 . . . . . 60 LYS CA . 52967 1 270 . 1 . 1 60 60 LYS CB C 13 31.99747078 0 . 1 . . . . . 60 LYS CB . 52967 1 271 . 1 . 1 60 60 LYS N N 15 118.9288837 0.0000013 . 1 . . . . . 60 LYS N . 52967 1 272 . 1 . 1 61 61 ALA H H 1 7.246768777 0.006564387188 . 1 . . . . . 61 ALA H . 52967 1 273 . 1 . 1 61 61 ALA C C 13 177.7055379 . . 1 . . . . . 61 ALA C . 52967 1 274 . 1 . 1 61 61 ALA CA C 13 55.07583613 0 . 1 . . . . . 61 ALA CA . 52967 1 275 . 1 . 1 61 61 ALA CB C 13 19.98098413 . . 1 . . . . . 61 ALA CB . 52967 1 276 . 1 . 1 61 61 ALA N N 15 120.1659864 0.0000013 . 1 . . . . . 61 ALA N . 52967 1 277 . 1 . 1 62 62 MET H H 1 6.530418233 . . 1 . . . . . 62 MET H . 52967 1 278 . 1 . 1 62 62 MET N N 15 114.3859918 . . 1 . . . . . 62 MET N . 52967 1 279 . 1 . 1 63 63 LYS H H 1 8.198376713 0 . 1 . . . . . 63 LYS H . 52967 1 280 . 1 . 1 63 63 LYS C C 13 179.8167205 0 . 1 . . . . . 63 LYS C . 52967 1 281 . 1 . 1 63 63 LYS CA C 13 59.8732876 0 . 1 . . . . . 63 LYS CA . 52967 1 282 . 1 . 1 63 63 LYS CB C 13 32.01575493 0 . 1 . . . . . 63 LYS CB . 52967 1 283 . 1 . 1 63 63 LYS N N 15 118.0561839 0 . 1 . . . . . 63 LYS N . 52967 1 284 . 1 . 1 64 64 ASP H H 1 8.780104346 0.006564387194 . 1 . . . . . 64 ASP H . 52967 1 285 . 1 . 1 64 64 ASP C C 13 178.8398511 0 . 1 . . . . . 64 ASP C . 52967 1 286 . 1 . 1 64 64 ASP CA C 13 56.88379418 0 . 1 . . . . . 64 ASP CA . 52967 1 287 . 1 . 1 64 64 ASP CB C 13 39.72767019 0 . 1 . . . . . 64 ASP CB . 52967 1 288 . 1 . 1 64 64 ASP N N 15 120.8692539 0.0000013 . 1 . . . . . 64 ASP N . 52967 1 289 . 1 . 1 65 65 ALA H H 1 8.15737036 0.006564387189 . 1 . . . . . 65 ALA H . 52967 1 290 . 1 . 1 65 65 ALA HA H 1 4.363859953 0.0000000596 . 1 . . . . . 65 ALA HA . 52967 1 291 . 1 . 1 65 65 ALA HB1 H 1 1.346779809 0.0000000149 . 1 . . . . . 65 ALA HB . 52967 1 292 . 1 . 1 65 65 ALA HB2 H 1 1.346779809 0.0000000149 . 1 . . . . . 65 ALA HB . 52967 1 293 . 1 . 1 65 65 ALA HB3 H 1 1.346779809 0.0000000149 . 1 . . . . . 65 ALA HB . 52967 1 294 . 1 . 1 65 65 ALA C C 13 179.3537864 0 . 1 . . . . . 65 ALA C . 52967 1 295 . 1 . 1 65 65 ALA CA C 13 54.53705625 0 . 1 . . . . . 65 ALA CA . 52967 1 296 . 1 . 1 65 65 ALA CB C 13 19.8901778 0 . 1 . . . . . 65 ALA CB . 52967 1 297 . 1 . 1 65 65 ALA N N 15 125.2295123 0.000002697 . 1 . . . . . 65 ALA N . 52967 1 298 . 1 . 1 66 66 ILE H H 1 8.012053216 0.006564387189 . 1 . . . . . 66 ILE H . 52967 1 299 . 1 . 1 66 66 ILE C C 13 178.1943787 0 . 1 . . . . . 66 ILE C . 52967 1 300 . 1 . 1 66 66 ILE CA C 13 66.06090956 0 . 1 . . . . . 66 ILE CA . 52967 1 301 . 1 . 1 66 66 ILE CB C 13 38.68813481 0 . 1 . . . . . 66 ILE CB . 52967 1 302 . 1 . 1 66 66 ILE N N 15 118.8362634 0.0000013 . 1 . . . . . 66 ILE N . 52967 1 303 . 1 . 1 67 67 GLU H H 1 7.607132041 0.006523740437 . 1 . . . . . 67 GLU H . 52967 1 304 . 1 . 1 67 67 GLU CA C 13 58.72108913 0 . 1 . . . . . 67 GLU CA . 52967 1 305 . 1 . 1 67 67 GLU CB C 13 29.8025211 0 . 1 . . . . . 67 GLU CB . 52967 1 306 . 1 . 1 67 67 GLU N N 15 116.7199757 0.0000019 . 1 . . . . . 67 GLU N . 52967 1 307 . 1 . 1 68 68 GLY H H 1 8.315873692 0 . 1 . . . . . 68 GLY H . 52967 1 308 . 1 . 1 68 68 GLY C C 13 175.1674599 0 . 1 . . . . . 68 GLY C . 52967 1 309 . 1 . 1 68 68 GLY CA C 13 46.28163948 0 . 1 . . . . . 68 GLY CA . 52967 1 310 . 1 . 1 68 68 GLY N N 15 105.0808988 0.000002697 . 1 . . . . . 68 GLY N . 52967 1 311 . 1 . 1 69 69 MET H H 1 8.112899202 0.007339207993 . 1 . . . . . 69 MET H . 52967 1 312 . 1 . 1 69 69 MET C C 13 177.7779121 0.0000019 . 1 . . . . . 69 MET C . 52967 1 313 . 1 . 1 69 69 MET CA C 13 53.76673988 0 . 1 . . . . . 69 MET CA . 52967 1 314 . 1 . 1 69 69 MET N N 15 114.636931 0.0000013 . 1 . . . . . 69 MET N . 52967 1 315 . 1 . 1 70 70 ASN H H 1 7.681507597 0.006919471653 . 1 . . . . . 70 ASN H . 52967 1 316 . 1 . 1 70 70 ASN C C 13 176.9204119 0 . 1 . . . . . 70 ASN C . 52967 1 317 . 1 . 1 70 70 ASN CA C 13 57.17557344 0 . 1 . . . . . 70 ASN CA . 52967 1 318 . 1 . 1 70 70 ASN CB C 13 38.96211318 0 . 1 . . . . . 70 ASN CB . 52967 1 319 . 1 . 1 70 70 ASN N N 15 116.9309559 0.0000013 . 1 . . . . . 70 ASN N . 52967 1 320 . 1 . 1 71 71 GLY H H 1 9.087593969 0.006919471653 . 1 . . . . . 71 GLY H . 52967 1 321 . 1 . 1 71 71 GLY CA C 13 45.9482973 0 . 1 . . . . . 71 GLY CA . 52967 1 322 . 1 . 1 71 71 GLY N N 15 117.3177531 0.0000013 . 1 . . . . . 71 GLY N . 52967 1 323 . 1 . 1 72 72 GLN H H 1 7.869385174 0.000000146 . 1 . . . . . 72 GLN H . 52967 1 324 . 1 . 1 72 72 GLN C C 13 174.1427646 0 . 1 . . . . . 72 GLN C . 52967 1 325 . 1 . 1 72 72 GLN CA C 13 54.52554804 0 . 1 . . . . . 72 GLN CA . 52967 1 326 . 1 . 1 72 72 GLN CB C 13 29.38109436 0 . 1 . . . . . 72 GLN CB . 52967 1 327 . 1 . 1 72 72 GLN N N 15 119.849516 0 . 1 . . . . . 72 GLN N . 52967 1 328 . 1 . 1 73 73 ASP H H 1 8.139126822 0.006564387189 . 1 . . . . . 73 ASP H . 52967 1 329 . 1 . 1 73 73 ASP C C 13 176.7146329 0 . 1 . . . . . 73 ASP C . 52967 1 330 . 1 . 1 73 73 ASP CA C 13 53.92413127 0 . 1 . . . . . 73 ASP CA . 52967 1 331 . 1 . 1 73 73 ASP CB C 13 42.5965228 0 . 1 . . . . . 73 ASP CB . 52967 1 332 . 1 . 1 73 73 ASP N N 15 118.9691943 0.0000013 . 1 . . . . . 73 ASP N . 52967 1 333 . 1 . 1 74 74 LEU H H 1 9.073846792 0.006564387188 . 1 . . . . . 74 LEU H . 52967 1 334 . 1 . 1 74 74 LEU C C 13 176.6145924 0 . 1 . . . . . 74 LEU C . 52967 1 335 . 1 . 1 74 74 LEU CA C 13 55.28266087 0 . 1 . . . . . 74 LEU CA . 52967 1 336 . 1 . 1 74 74 LEU CB C 13 44.27182922 0 . 1 . . . . . 74 LEU CB . 52967 1 337 . 1 . 1 74 74 LEU N N 15 126.2844135 0.0000019 . 1 . . . . . 74 LEU N . 52967 1 338 . 1 . 1 75 75 ASP H H 1 9.414588029 0.00656438719 . 1 . . . . . 75 ASP H . 52967 1 339 . 1 . 1 75 75 ASP C C 13 175.2419422 0 . 1 . . . . . 75 ASP C . 52967 1 340 . 1 . 1 75 75 ASP CA C 13 55.73583054 0 . 1 . . . . . 75 ASP CA . 52967 1 341 . 1 . 1 75 75 ASP CB C 13 39.61336616 0 . 1 . . . . . 75 ASP CB . 52967 1 342 . 1 . 1 75 75 ASP N N 15 126.987681 0 . 1 . . . . . 75 ASP N . 52967 1 343 . 1 . 1 76 76 GLY H H 1 8.509861295 0.006919471652 . 1 . . . . . 76 GLY H . 52967 1 344 . 1 . 1 76 76 GLY C C 13 174.6140225 0 . 1 . . . . . 76 GLY C . 52967 1 345 . 1 . 1 76 76 GLY CA C 13 45.74226933 0 . 1 . . . . . 76 GLY CA . 52967 1 346 . 1 . 1 76 76 GLY N N 15 102.8656062 0.000002336 . 1 . . . . . 76 GLY N . 52967 1 347 . 1 . 1 77 77 ARG H H 1 7.423014245 0.006919471654 . 1 . . . . . 77 ARG H . 52967 1 348 . 1 . 1 77 77 ARG C C 13 174.4203837 0 . 1 . . . . . 77 ARG C . 52967 1 349 . 1 . 1 77 77 ARG CA C 13 52.99175081 0 . 1 . . . . . 77 ARG CA . 52967 1 350 . 1 . 1 77 77 ARG CB C 13 32.89270895 0 . 1 . . . . . 77 ARG CB . 52967 1 351 . 1 . 1 77 77 ARG N N 15 119.2517386 0.0000019 . 1 . . . . . 77 ARG N . 52967 1 352 . 1 . 1 78 78 SER H H 1 8.323863609 0.006523740438 . 1 . . . . . 78 SER H . 52967 1 353 . 1 . 1 78 78 SER CA C 13 57.3542648 0 . 1 . . . . . 78 SER CA . 52967 1 354 . 1 . 1 78 78 SER CB C 13 62.92967456 0 . 1 . . . . . 78 SER CB . 52967 1 355 . 1 . 1 78 78 SER N N 15 116.3331786 0.0000019 . 1 . . . . . 78 SER N . 52967 1 356 . 1 . 1 79 79 ILE H H 1 8.401833772 0.000000119 . 1 . . . . . 79 ILE H . 52967 1 357 . 1 . 1 79 79 ILE C C 13 176.0783894 0 . 1 . . . . . 79 ILE C . 52967 1 358 . 1 . 1 79 79 ILE CA C 13 61.45264314 0 . 1 . . . . . 79 ILE CA . 52967 1 359 . 1 . 1 79 79 ILE CB C 13 40.33607701 0 . 1 . . . . . 79 ILE CB . 52967 1 360 . 1 . 1 79 79 ILE N N 15 123.1806008 0.0000013 . 1 . . . . . 79 ILE N . 52967 1 361 . 1 . 1 80 80 THR H H 1 8.646355545 0.006638330945 . 1 . . . . . 80 THR H . 52967 1 362 . 1 . 1 80 80 THR C C 13 173.604812 0 . 1 . . . . . 80 THR C . 52967 1 363 . 1 . 1 80 80 THR CA C 13 60.80096873 0 . 1 . . . . . 80 THR CA . 52967 1 364 . 1 . 1 80 80 THR CB C 13 71.49871984 0 . 1 . . . . . 80 THR CB . 52967 1 365 . 1 . 1 80 80 THR N N 15 117.5941274 0.04368442478 . 1 . . . . . 80 THR N . 52967 1 366 . 1 . 1 81 81 VAL H H 1 8.797728893 0.006564387189 . 1 . . . . . 81 VAL H . 52967 1 367 . 1 . 1 81 81 VAL C C 13 174.4721436 0 . 1 . . . . . 81 VAL C . 52967 1 368 . 1 . 1 81 81 VAL CA C 13 60.51664503 0 . 1 . . . . . 81 VAL CA . 52967 1 369 . 1 . 1 81 81 VAL CB C 13 35.22689711 0 . 1 . . . . . 81 VAL CB . 52967 1 370 . 1 . 1 81 81 VAL N N 15 124.0339576 0.0000019 . 1 . . . . . 81 VAL N . 52967 1 371 . 1 . 1 82 82 ASN H H 1 8.956349813 0.006564387187 . 1 . . . . . 82 ASN H . 52967 1 372 . 1 . 1 82 82 ASN C C 13 174.0810423 0 . 1 . . . . . 82 ASN C . 52967 1 373 . 1 . 1 82 82 ASN CA C 13 52.13761345 0 . 1 . . . . . 82 ASN CA . 52967 1 374 . 1 . 1 82 82 ASN CB C 13 42.53952249 0 . 1 . . . . . 82 ASN CB . 52967 1 375 . 1 . 1 82 82 ASN N N 15 121.1153975 0.0000013 . 1 . . . . . 82 ASN N . 52967 1 376 . 1 . 1 83 83 GLU H H 1 9.273591655 0.00656438719 . 1 . . . . . 83 GLU H . 52967 1 377 . 1 . 1 83 83 GLU C C 13 176.4114571 0 . 1 . . . . . 83 GLU C . 52967 1 378 . 1 . 1 83 83 GLU CA C 13 58.25245295 0 . 1 . . . . . 83 GLU CA . 52967 1 379 . 1 . 1 83 83 GLU CB C 13 30.02353032 0 . 1 . . . . . 83 GLU CB . 52967 1 380 . 1 . 1 83 83 GLU N N 15 122.7680761 0 . 1 . . . . . 83 GLU N . 52967 1 381 . 1 . 1 84 84 ALA H H 1 8.827103137 0.006564387187 . 1 . . . . . 84 ALA H . 52967 1 382 . 1 . 1 84 84 ALA HB1 H 1 1.481819856 . . 1 . . . . . 84 ALA HB . 52967 1 383 . 1 . 1 84 84 ALA HB2 H 1 1.481819856 . . 1 . . . . . 84 ALA HB . 52967 1 384 . 1 . 1 84 84 ALA HB3 H 1 1.481819856 . . 1 . . . . . 84 ALA HB . 52967 1 385 . 1 . 1 84 84 ALA C C 13 177.2807103 0.0000019 . 1 . . . . . 84 ALA C . 52967 1 386 . 1 . 1 84 84 ALA CA C 13 52.57477052 0 . 1 . . . . . 84 ALA CA . 52967 1 387 . 1 . 1 84 84 ALA CB C 13 19.69972261 0 . 1 . . . . . 84 ALA CB . 52967 1 388 . 1 . 1 84 84 ALA N N 15 128.4293793 0.0000019 . 1 . . . . . 84 ALA N . 52967 1 389 . 1 . 1 85 85 GLN H H 1 8.746852732 0.006919471653 . 1 . . . . . 85 GLN H . 52967 1 390 . 1 . 1 85 85 GLN CA C 13 56.19347621 0 . 1 . . . . . 85 GLN CA . 52967 1 391 . 1 . 1 85 85 GLN N N 15 120.3769666 0.0000019 . 1 . . . . . 85 GLN N . 52967 1 392 . 1 . 1 86 86 SER H H 1 8.524095687 0.004238565981 . 1 . . . . . 86 SER H . 52967 1 393 . 1 . 1 86 86 SER CA C 13 56.75691982 0 . 1 . . . . . 86 SER CA . 52967 1 394 . 1 . 1 86 86 SER N N 15 122.3980117 0.02594804539 . 1 . . . . . 86 SER N . 52967 1 stop_ save_