data_28005 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28005 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for phosphomimetic mutant of cytoplasmic domain of MapZ protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-22 _Entry.Accession_date 2019-08-22 _Entry.Last_release_date 2019-08-22 _Entry.Original_release_date 2019-08-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Tomas Hosek . . . . 28005 2 Catherine Bougault . M. . . 28005 3 Jean-Pierre Simorre . . . . 28005 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28005 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 28005 '15N chemical shifts' 150 28005 '1H chemical shifts' 150 28005 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 . . 2020-04-03 . original BMRB . 28005 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28006 'MapZcyto-WT monomer' 28005 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28005 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32132631 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural features of the interaction of MapZ with FtsZ and membranes in Streptococcus pneumoniae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 4051 _Citation.Page_last 4051 _Citation.Year 2020 _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 Tomas Hosek . . . . 28005 1 2 Catherine Bougault . . . . 28005 1 3 Jean-Pierre Lavergne . . . . 28005 1 4 Denis Martinez . . . . 28005 1 5 Isabel Ayala . . . . 28005 1 6 Daphna Fenel . . . . 28005 1 7 Marine Restelli . . . . 28005 1 8 Cecile Morlot . . . . 28005 1 9 Birgit Habenstein . . . . 28005 1 10 Christophe Grangeasse . . . . 28005 1 11 Jean-Pierre Simorre . . . . 28005 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28005 _Assembly.ID 1 _Assembly.Name 'MapZcyto-2TE monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'cytoplasmic domain' 1 $MapZcyto-2TE A . yes 'intrinsically disordered' no no . . . 28005 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MapZcyto-2TE _Entity.Sf_category entity _Entity.Sf_framecode MapZcyto-2TE _Entity.Entry_ID 28005 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MapZcyto-2TE _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 ; MSKKRRNRHKKEAQEPQFDF DEAKELTVGQAIRKNEEVEA GVLPEDSILDKYVKQHRDEI EADKFAERQYKKEEFVEEQS LDDLIQEMREAVEKSEASSE EVPSSEDILLPLPLDDEEQG LDPLLLDDENPTEMTEEVEE EQNLSRLDQEDSEKKSKKGL QGENLYFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 159-168 represent the rest of a non-native tag used for purification. This is the phosphomimetic mutant (T67E,T78E) of cytoplasmic domain of a transmembrane protein ; _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 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 28005 1 2 . SER . 28005 1 3 . LYS . 28005 1 4 . LYS . 28005 1 5 . ARG . 28005 1 6 . ARG . 28005 1 7 . ASN . 28005 1 8 . ARG . 28005 1 9 . HIS . 28005 1 10 . LYS . 28005 1 11 . LYS . 28005 1 12 . GLU . 28005 1 13 . ALA . 28005 1 14 . GLN . 28005 1 15 . GLU . 28005 1 16 . PRO . 28005 1 17 . GLN . 28005 1 18 . PHE . 28005 1 19 . ASP . 28005 1 20 . PHE . 28005 1 21 . ASP . 28005 1 22 . GLU . 28005 1 23 . ALA . 28005 1 24 . LYS . 28005 1 25 . GLU . 28005 1 26 . LEU . 28005 1 27 . THR . 28005 1 28 . VAL . 28005 1 29 . GLY . 28005 1 30 . GLN . 28005 1 31 . ALA . 28005 1 32 . ILE . 28005 1 33 . ARG . 28005 1 34 . LYS . 28005 1 35 . ASN . 28005 1 36 . GLU . 28005 1 37 . GLU . 28005 1 38 . VAL . 28005 1 39 . GLU . 28005 1 40 . ALA . 28005 1 41 . GLY . 28005 1 42 . VAL . 28005 1 43 . LEU . 28005 1 44 . PRO . 28005 1 45 . GLU . 28005 1 46 . ASP . 28005 1 47 . SER . 28005 1 48 . ILE . 28005 1 49 . LEU . 28005 1 50 . ASP . 28005 1 51 . LYS . 28005 1 52 . TYR . 28005 1 53 . VAL . 28005 1 54 . LYS . 28005 1 55 . GLN . 28005 1 56 . HIS . 28005 1 57 . ARG . 28005 1 58 . ASP . 28005 1 59 . GLU . 28005 1 60 . ILE . 28005 1 61 . GLU . 28005 1 62 . ALA . 28005 1 63 . ASP . 28005 1 64 . LYS . 28005 1 65 . PHE . 28005 1 66 . ALA . 28005 1 67 . GLU . 28005 1 68 . ARG . 28005 1 69 . GLN . 28005 1 70 . TYR . 28005 1 71 . LYS . 28005 1 72 . LYS . 28005 1 73 . GLU . 28005 1 74 . GLU . 28005 1 75 . PHE . 28005 1 76 . VAL . 28005 1 77 . GLU . 28005 1 78 . GLU . 28005 1 79 . GLN . 28005 1 80 . SER . 28005 1 81 . LEU . 28005 1 82 . ASP . 28005 1 83 . ASP . 28005 1 84 . LEU . 28005 1 85 . ILE . 28005 1 86 . GLN . 28005 1 87 . GLU . 28005 1 88 . MET . 28005 1 89 . ARG . 28005 1 90 . GLU . 28005 1 91 . ALA . 28005 1 92 . VAL . 28005 1 93 . GLU . 28005 1 94 . LYS . 28005 1 95 . SER . 28005 1 96 . GLU . 28005 1 97 . ALA . 28005 1 98 . SER . 28005 1 99 . SER . 28005 1 100 . GLU . 28005 1 101 . GLU . 28005 1 102 . VAL . 28005 1 103 . PRO . 28005 1 104 . SER . 28005 1 105 . SER . 28005 1 106 . GLU . 28005 1 107 . ASP . 28005 1 108 . ILE . 28005 1 109 . LEU . 28005 1 110 . LEU . 28005 1 111 . PRO . 28005 1 112 . LEU . 28005 1 113 . PRO . 28005 1 114 . LEU . 28005 1 115 . ASP . 28005 1 116 . ASP . 28005 1 117 . GLU . 28005 1 118 . GLU . 28005 1 119 . GLN . 28005 1 120 . GLY . 28005 1 121 . LEU . 28005 1 122 . ASP . 28005 1 123 . PRO . 28005 1 124 . LEU . 28005 1 125 . LEU . 28005 1 126 . LEU . 28005 1 127 . ASP . 28005 1 128 . ASP . 28005 1 129 . GLU . 28005 1 130 . ASN . 28005 1 131 . PRO . 28005 1 132 . THR . 28005 1 133 . GLU . 28005 1 134 . MET . 28005 1 135 . THR . 28005 1 136 . GLU . 28005 1 137 . GLU . 28005 1 138 . VAL . 28005 1 139 . GLU . 28005 1 140 . GLU . 28005 1 141 . GLU . 28005 1 142 . GLN . 28005 1 143 . ASN . 28005 1 144 . LEU . 28005 1 145 . SER . 28005 1 146 . ARG . 28005 1 147 . LEU . 28005 1 148 . ASP . 28005 1 149 . GLN . 28005 1 150 . GLU . 28005 1 151 . ASP . 28005 1 152 . SER . 28005 1 153 . GLU . 28005 1 154 . LYS . 28005 1 155 . LYS . 28005 1 156 . SER . 28005 1 157 . LYS . 28005 1 158 . LYS . 28005 1 159 . GLY . 28005 1 160 . LEU . 28005 1 161 . GLN . 28005 1 162 . GLY . 28005 1 163 . GLU . 28005 1 164 . ASN . 28005 1 165 . LEU . 28005 1 166 . TYR . 28005 1 167 . PHE . 28005 1 168 . GLN . 28005 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 28005 1 . SER 2 2 28005 1 . LYS 3 3 28005 1 . LYS 4 4 28005 1 . ARG 5 5 28005 1 . ARG 6 6 28005 1 . ASN 7 7 28005 1 . ARG 8 8 28005 1 . HIS 9 9 28005 1 . LYS 10 10 28005 1 . LYS 11 11 28005 1 . GLU 12 12 28005 1 . ALA 13 13 28005 1 . GLN 14 14 28005 1 . GLU 15 15 28005 1 . PRO 16 16 28005 1 . GLN 17 17 28005 1 . PHE 18 18 28005 1 . ASP 19 19 28005 1 . PHE 20 20 28005 1 . ASP 21 21 28005 1 . GLU 22 22 28005 1 . ALA 23 23 28005 1 . LYS 24 24 28005 1 . GLU 25 25 28005 1 . LEU 26 26 28005 1 . THR 27 27 28005 1 . VAL 28 28 28005 1 . GLY 29 29 28005 1 . GLN 30 30 28005 1 . ALA 31 31 28005 1 . ILE 32 32 28005 1 . ARG 33 33 28005 1 . LYS 34 34 28005 1 . ASN 35 35 28005 1 . GLU 36 36 28005 1 . GLU 37 37 28005 1 . VAL 38 38 28005 1 . GLU 39 39 28005 1 . ALA 40 40 28005 1 . GLY 41 41 28005 1 . VAL 42 42 28005 1 . LEU 43 43 28005 1 . PRO 44 44 28005 1 . GLU 45 45 28005 1 . ASP 46 46 28005 1 . SER 47 47 28005 1 . ILE 48 48 28005 1 . LEU 49 49 28005 1 . ASP 50 50 28005 1 . LYS 51 51 28005 1 . TYR 52 52 28005 1 . VAL 53 53 28005 1 . LYS 54 54 28005 1 . GLN 55 55 28005 1 . HIS 56 56 28005 1 . ARG 57 57 28005 1 . ASP 58 58 28005 1 . GLU 59 59 28005 1 . ILE 60 60 28005 1 . GLU 61 61 28005 1 . ALA 62 62 28005 1 . ASP 63 63 28005 1 . LYS 64 64 28005 1 . PHE 65 65 28005 1 . ALA 66 66 28005 1 . GLU 67 67 28005 1 . ARG 68 68 28005 1 . GLN 69 69 28005 1 . TYR 70 70 28005 1 . LYS 71 71 28005 1 . LYS 72 72 28005 1 . GLU 73 73 28005 1 . GLU 74 74 28005 1 . PHE 75 75 28005 1 . VAL 76 76 28005 1 . GLU 77 77 28005 1 . GLU 78 78 28005 1 . GLN 79 79 28005 1 . SER 80 80 28005 1 . LEU 81 81 28005 1 . ASP 82 82 28005 1 . ASP 83 83 28005 1 . LEU 84 84 28005 1 . ILE 85 85 28005 1 . GLN 86 86 28005 1 . GLU 87 87 28005 1 . MET 88 88 28005 1 . ARG 89 89 28005 1 . GLU 90 90 28005 1 . ALA 91 91 28005 1 . VAL 92 92 28005 1 . GLU 93 93 28005 1 . LYS 94 94 28005 1 . SER 95 95 28005 1 . GLU 96 96 28005 1 . ALA 97 97 28005 1 . SER 98 98 28005 1 . SER 99 99 28005 1 . GLU 100 100 28005 1 . GLU 101 101 28005 1 . VAL 102 102 28005 1 . PRO 103 103 28005 1 . SER 104 104 28005 1 . SER 105 105 28005 1 . GLU 106 106 28005 1 . ASP 107 107 28005 1 . ILE 108 108 28005 1 . LEU 109 109 28005 1 . LEU 110 110 28005 1 . PRO 111 111 28005 1 . LEU 112 112 28005 1 . PRO 113 113 28005 1 . LEU 114 114 28005 1 . ASP 115 115 28005 1 . ASP 116 116 28005 1 . GLU 117 117 28005 1 . GLU 118 118 28005 1 . GLN 119 119 28005 1 . GLY 120 120 28005 1 . LEU 121 121 28005 1 . ASP 122 122 28005 1 . PRO 123 123 28005 1 . LEU 124 124 28005 1 . LEU 125 125 28005 1 . LEU 126 126 28005 1 . ASP 127 127 28005 1 . ASP 128 128 28005 1 . GLU 129 129 28005 1 . ASN 130 130 28005 1 . PRO 131 131 28005 1 . THR 132 132 28005 1 . GLU 133 133 28005 1 . MET 134 134 28005 1 . THR 135 135 28005 1 . GLU 136 136 28005 1 . GLU 137 137 28005 1 . VAL 138 138 28005 1 . GLU 139 139 28005 1 . GLU 140 140 28005 1 . GLU 141 141 28005 1 . GLN 142 142 28005 1 . ASN 143 143 28005 1 . LEU 144 144 28005 1 . SER 145 145 28005 1 . ARG 146 146 28005 1 . LEU 147 147 28005 1 . ASP 148 148 28005 1 . GLN 149 149 28005 1 . GLU 150 150 28005 1 . ASP 151 151 28005 1 . SER 152 152 28005 1 . GLU 153 153 28005 1 . LYS 154 154 28005 1 . LYS 155 155 28005 1 . SER 156 156 28005 1 . LYS 157 157 28005 1 . LYS 158 158 28005 1 . GLY 159 159 28005 1 . LEU 160 160 28005 1 . GLN 161 161 28005 1 . GLY 162 162 28005 1 . GLU 163 163 28005 1 . ASN 164 164 28005 1 . LEU 165 165 28005 1 . TYR 166 166 28005 1 . PHE 167 167 28005 1 . GLN 168 168 28005 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28005 _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 $MapZcyto-2TE . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . 28005 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28005 _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 $MapZcyto-2TE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pEtPhos . . . 28005 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28005 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MapZcyto-2TE '[U-99% 13C; U-99% 15N]' . . 1 $MapZcyto-2TE . . 0.2 . . mM . . . . 28005 1 2 HEPES 'natural abundance' . . . . . . 30 . . mM . . . . 28005 1 3 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 28005 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 28005 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.2 . M 28005 1 pH 7.5 . pH 28005 1 pressure 1 . atm 28005 1 temperature 273 . K 28005 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28005 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28005 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28005 1 . processing 28005 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28005 _Software.ID 2 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28005 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28005 2 . 'data analysis' 28005 2 . 'peak picking' 28005 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28005 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28005 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 28005 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28005 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28005 1 2 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28005 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28005 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28005 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.00 na indirect 0.251449530 . . . . . 28005 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28005 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28005 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28005 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28005 1 2 '3D HBHA(CO)NH' . . . 28005 1 3 '3D HNCACB' . . . 28005 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 3 3 LYS CA C 13 56.319 0.011 . 1 . . . . . 3 Lys CA . 28005 1 2 . 1 . 1 3 3 LYS CB C 13 32.811 0.019 . 1 . . . . . 3 Lys CB . 28005 1 3 . 1 . 1 4 4 LYS H H 1 8.500 0.004 . 1 . . . . . 4 Lys H . 28005 1 4 . 1 . 1 4 4 LYS CA C 13 56.360 0.009 . 1 . . . . . 4 Lys CA . 28005 1 5 . 1 . 1 4 4 LYS CB C 13 33.001 0.030 . 1 . . . . . 4 Lys CB . 28005 1 6 . 1 . 1 4 4 LYS N N 15 122.925 0.025 . 1 . . . . . 4 Lys N . 28005 1 7 . 1 . 1 5 5 ARG H H 1 8.514 0.004 . 1 . . . . . 5 Arg H . 28005 1 8 . 1 . 1 5 5 ARG CA C 13 56.127 0.000 . 1 . . . . . 5 Arg CA . 28005 1 9 . 1 . 1 5 5 ARG CB C 13 30.866 0.000 . 1 . . . . . 5 Arg CB . 28005 1 10 . 1 . 1 5 5 ARG N N 15 123.287 0.023 . 1 . . . . . 5 Arg N . 28005 1 11 . 1 . 1 9 9 HIS CA C 13 56.488 0.022 . 1 . . . . . 9 His CA . 28005 1 12 . 1 . 1 9 9 HIS CB C 13 31.087 0.049 . 1 . . . . . 9 His CB . 28005 1 13 . 1 . 1 10 10 LYS H H 1 8.244 0.003 . 1 . . . . . 10 Lys H . 28005 1 14 . 1 . 1 10 10 LYS CA C 13 56.305 0.001 . 1 . . . . . 10 Lys CA . 28005 1 15 . 1 . 1 10 10 LYS CB C 13 33.064 0.028 . 1 . . . . . 10 Lys CB . 28005 1 16 . 1 . 1 10 10 LYS N N 15 123.061 0.011 . 1 . . . . . 10 Lys N . 28005 1 17 . 1 . 1 11 11 LYS H H 1 8.625 0.003 . 1 . . . . . 11 Lys H . 28005 1 18 . 1 . 1 11 11 LYS CA C 13 56.610 0.028 . 1 . . . . . 11 Lys CA . 28005 1 19 . 1 . 1 11 11 LYS CB C 13 32.817 0.019 . 1 . . . . . 11 Lys CB . 28005 1 20 . 1 . 1 11 11 LYS N N 15 123.482 0.006 . 1 . . . . . 11 Lys N . 28005 1 21 . 1 . 1 12 12 GLU H H 1 8.583 0.002 . 1 . . . . . 12 Glu H . 28005 1 22 . 1 . 1 12 12 GLU CA C 13 56.430 0.022 . 1 . . . . . 12 Glu CA . 28005 1 23 . 1 . 1 12 12 GLU CB C 13 30.171 0.014 . 1 . . . . . 12 Glu CB . 28005 1 24 . 1 . 1 12 12 GLU N N 15 122.346 0.036 . 1 . . . . . 12 Glu N . 28005 1 25 . 1 . 1 13 13 ALA H H 1 8.439 0.001 . 1 . . . . . 13 Ala H . 28005 1 26 . 1 . 1 13 13 ALA CA C 13 52.566 0.018 . 1 . . . . . 13 Ala CA . 28005 1 27 . 1 . 1 13 13 ALA CB C 13 19.176 0.012 . 1 . . . . . 13 Ala CB . 28005 1 28 . 1 . 1 13 13 ALA N N 15 124.962 0.015 . 1 . . . . . 13 Ala N . 28005 1 29 . 1 . 1 14 14 GLN H H 1 8.421 0.002 . 1 . . . . . 14 Gln H . 28005 1 30 . 1 . 1 14 14 GLN CA C 13 55.374 0.022 . 1 . . . . . 14 Gln CA . 28005 1 31 . 1 . 1 14 14 GLN CB C 13 29.622 0.026 . 1 . . . . . 14 Gln CB . 28005 1 32 . 1 . 1 14 14 GLN N N 15 119.342 0.028 . 1 . . . . . 14 Gln N . 28005 1 33 . 1 . 1 15 15 GLU H H 1 8.516 0.005 . 1 . . . . . 15 Glu H . 28005 1 34 . 1 . 1 15 15 GLU CA C 13 54.448 0.000 . 1 . . . . . 15 Glu CA . 28005 1 35 . 1 . 1 15 15 GLU CB C 13 29.421 0.000 . 1 . . . . . 15 Glu CB . 28005 1 36 . 1 . 1 15 15 GLU N N 15 123.793 0.016 . 1 . . . . . 15 Glu N . 28005 1 37 . 1 . 1 16 16 PRO CA C 13 63.212 0.012 . 1 . . . . . 16 Pro CA . 28005 1 38 . 1 . 1 16 16 PRO CB C 13 32.047 0.025 . 1 . . . . . 16 Pro CB . 28005 1 39 . 1 . 1 17 17 GLN H H 1 8.558 0.001 . 1 . . . . . 17 Gln H . 28005 1 40 . 1 . 1 17 17 GLN CA C 13 55.392 0.011 . 1 . . . . . 17 Gln CA . 28005 1 41 . 1 . 1 17 17 GLN CB C 13 29.610 0.021 . 1 . . . . . 17 Gln CB . 28005 1 42 . 1 . 1 17 17 GLN N N 15 120.583 0.009 . 1 . . . . . 17 Gln N . 28005 1 43 . 1 . 1 18 18 PHE H H 1 8.315 0.002 . 1 . . . . . 18 Phe H . 28005 1 44 . 1 . 1 18 18 PHE CA C 13 57.363 0.053 . 1 . . . . . 18 Phe CA . 28005 1 45 . 1 . 1 18 18 PHE CB C 13 39.950 0.007 . 1 . . . . . 18 Phe CB . 28005 1 46 . 1 . 1 18 18 PHE N N 15 121.407 0.009 . 1 . . . . . 18 Phe N . 28005 1 47 . 1 . 1 19 19 ASP H H 1 8.343 0.001 . 1 . . . . . 19 Asp H . 28005 1 48 . 1 . 1 19 19 ASP CA C 13 53.868 0.015 . 1 . . . . . 19 Asp CA . 28005 1 49 . 1 . 1 19 19 ASP CB C 13 41.100 0.023 . 1 . . . . . 19 Asp CB . 28005 1 50 . 1 . 1 19 19 ASP N N 15 122.128 0.013 . 1 . . . . . 19 Asp N . 28005 1 51 . 1 . 1 20 20 PHE H H 1 8.212 0.001 . 1 . . . . . 20 Phe H . 28005 1 52 . 1 . 1 20 20 PHE CA C 13 58.069 0.011 . 1 . . . . . 20 Phe CA . 28005 1 53 . 1 . 1 20 20 PHE CB C 13 39.597 0.027 . 1 . . . . . 20 Phe CB . 28005 1 54 . 1 . 1 20 20 PHE N N 15 121.195 0.015 . 1 . . . . . 20 Phe N . 28005 1 55 . 1 . 1 21 21 ASP H H 1 8.397 0.002 . 1 . . . . . 21 Asp H . 28005 1 56 . 1 . 1 21 21 ASP CA C 13 54.230 0.003 . 1 . . . . . 21 Asp CA . 28005 1 57 . 1 . 1 21 21 ASP CB C 13 41.149 0.017 . 1 . . . . . 21 Asp CB . 28005 1 58 . 1 . 1 21 21 ASP N N 15 122.389 0.023 . 1 . . . . . 21 Asp N . 28005 1 59 . 1 . 1 22 22 GLU H H 1 8.388 0.001 . 1 . . . . . 22 Glu H . 28005 1 60 . 1 . 1 22 22 GLU CA C 13 57.136 0.006 . 1 . . . . . 22 Glu CA . 28005 1 61 . 1 . 1 22 22 GLU CB C 13 30.096 0.012 . 1 . . . . . 22 Glu CB . 28005 1 62 . 1 . 1 22 22 GLU N N 15 122.532 0.006 . 1 . . . . . 22 Glu N . 28005 1 63 . 1 . 1 23 23 ALA H H 1 8.355 0.001 . 1 . . . . . 23 Ala H . 28005 1 64 . 1 . 1 23 23 ALA CA C 13 52.815 0.004 . 1 . . . . . 23 Ala CA . 28005 1 65 . 1 . 1 23 23 ALA CB C 13 18.754 0.028 . 1 . . . . . 23 Ala CB . 28005 1 66 . 1 . 1 23 23 ALA N N 15 124.102 0.011 . 1 . . . . . 23 Ala N . 28005 1 67 . 1 . 1 24 24 LYS H H 1 8.102 0.001 . 1 . . . . . 24 Lys H . 28005 1 68 . 1 . 1 24 24 LYS CA C 13 56.488 0.022 . 1 . . . . . 24 Lys CA . 28005 1 69 . 1 . 1 24 24 LYS CB C 13 32.938 0.031 . 1 . . . . . 24 Lys CB . 28005 1 70 . 1 . 1 24 24 LYS N N 15 120.300 0.003 . 1 . . . . . 24 Lys N . 28005 1 71 . 1 . 1 25 25 GLU H H 1 8.389 0.001 . 1 . . . . . 25 Glu H . 28005 1 72 . 1 . 1 25 25 GLU CA C 13 56.626 0.015 . 1 . . . . . 25 Glu CA . 28005 1 73 . 1 . 1 25 25 GLU CB C 13 30.042 0.013 . 1 . . . . . 25 Glu CB . 28005 1 74 . 1 . 1 25 25 GLU N N 15 121.391 0.009 . 1 . . . . . 25 Glu N . 28005 1 75 . 1 . 1 26 26 LEU H H 1 8.356 0.001 . 1 . . . . . 26 Leu H . 28005 1 76 . 1 . 1 26 26 LEU CA C 13 55.270 0.009 . 1 . . . . . 26 Leu CA . 28005 1 77 . 1 . 1 26 26 LEU CB C 13 42.253 0.025 . 1 . . . . . 26 Leu CB . 28005 1 78 . 1 . 1 26 26 LEU N N 15 123.140 0.008 . 1 . . . . . 26 Leu N . 28005 1 79 . 1 . 1 27 27 THR H H 1 8.253 0.001 . 1 . . . . . 27 Thr H . 28005 1 80 . 1 . 1 27 27 THR CA C 13 61.905 0.014 . 1 . . . . . 27 Thr CA . 28005 1 81 . 1 . 1 27 27 THR CB C 13 69.827 0.025 . 1 . . . . . 27 Thr CB . 28005 1 82 . 1 . 1 27 27 THR N N 15 115.461 0.012 . 1 . . . . . 27 Thr N . 28005 1 83 . 1 . 1 28 28 VAL H H 1 8.292 0.001 . 1 . . . . . 28 Val H . 28005 1 84 . 1 . 1 28 28 VAL CA C 13 62.962 0.022 . 1 . . . . . 28 Val CA . 28005 1 85 . 1 . 1 28 28 VAL CB C 13 32.549 0.026 . 1 . . . . . 28 Val CB . 28005 1 86 . 1 . 1 28 28 VAL N N 15 122.954 0.007 . 1 . . . . . 28 Val N . 28005 1 87 . 1 . 1 29 29 GLY H H 1 8.626 0.000 . 1 . . . . . 29 Gly H . 28005 1 88 . 1 . 1 29 29 GLY CA C 13 45.284 0.022 . 1 . . . . . 29 Gly CA . 28005 1 89 . 1 . 1 29 29 GLY N N 15 112.478 0.017 . 1 . . . . . 29 Gly N . 28005 1 90 . 1 . 1 30 30 GLN H H 1 8.231 0.003 . 1 . . . . . 30 Gln H . 28005 1 91 . 1 . 1 30 30 GLN CA C 13 55.809 0.008 . 1 . . . . . 30 Gln CA . 28005 1 92 . 1 . 1 30 30 GLN CB C 13 29.573 0.026 . 1 . . . . . 30 Gln CB . 28005 1 93 . 1 . 1 30 30 GLN N N 15 120.023 0.009 . 1 . . . . . 30 Gln N . 28005 1 94 . 1 . 1 31 31 ALA H H 1 8.446 0.001 . 1 . . . . . 31 Ala H . 28005 1 95 . 1 . 1 31 31 ALA CA C 13 52.612 0.015 . 1 . . . . . 31 Ala CA . 28005 1 96 . 1 . 1 31 31 ALA CB C 13 18.961 0.022 . 1 . . . . . 31 Ala CB . 28005 1 97 . 1 . 1 31 31 ALA N N 15 125.454 0.008 . 1 . . . . . 31 Ala N . 28005 1 98 . 1 . 1 32 32 ILE H H 1 8.233 0.001 . 1 . . . . . 32 Ile H . 28005 1 99 . 1 . 1 32 32 ILE CA C 13 61.268 0.020 . 1 . . . . . 32 Ile CA . 28005 1 100 . 1 . 1 32 32 ILE CB C 13 38.504 0.038 . 1 . . . . . 32 Ile CB . 28005 1 101 . 1 . 1 32 32 ILE N N 15 120.851 0.006 . 1 . . . . . 32 Ile N . 28005 1 102 . 1 . 1 33 33 ARG H H 1 8.479 0.001 . 1 . . . . . 33 Arg H . 28005 1 103 . 1 . 1 33 33 ARG CA C 13 56.016 0.008 . 1 . . . . . 33 Arg CA . 28005 1 104 . 1 . 1 33 33 ARG CB C 13 30.725 0.017 . 1 . . . . . 33 Arg CB . 28005 1 105 . 1 . 1 33 33 ARG N N 15 125.987 0.018 . 1 . . . . . 33 Arg N . 28005 1 106 . 1 . 1 34 34 LYS H H 1 8.557 0.001 . 1 . . . . . 34 Lys H . 28005 1 107 . 1 . 1 34 34 LYS CA C 13 56.410 0.019 . 1 . . . . . 34 Lys CA . 28005 1 108 . 1 . 1 34 34 LYS CB C 13 33.044 0.057 . 1 . . . . . 34 Lys CB . 28005 1 109 . 1 . 1 34 34 LYS N N 15 123.650 0.017 . 1 . . . . . 34 Lys N . 28005 1 110 . 1 . 1 35 35 ASN H H 1 8.629 0.003 . 1 . . . . . 35 Asn H . 28005 1 111 . 1 . 1 35 35 ASN CA C 13 53.607 0.002 . 1 . . . . . 35 Asn CA . 28005 1 112 . 1 . 1 35 35 ASN CB C 13 38.613 0.014 . 1 . . . . . 35 Asn CB . 28005 1 113 . 1 . 1 35 35 ASN N N 15 120.230 0.015 . 1 . . . . . 35 Asn N . 28005 1 114 . 1 . 1 36 36 GLU H H 1 8.549 0.002 . 1 . . . . . 36 Glu H . 28005 1 115 . 1 . 1 36 36 GLU CA C 13 56.684 0.019 . 1 . . . . . 36 Glu CA . 28005 1 116 . 1 . 1 36 36 GLU CB C 13 30.140 0.009 . 1 . . . . . 36 Glu CB . 28005 1 117 . 1 . 1 36 36 GLU N N 15 121.229 0.004 . 1 . . . . . 36 Glu N . 28005 1 118 . 1 . 1 37 37 GLU H H 1 8.431 0.001 . 1 . . . . . 37 Glu H . 28005 1 119 . 1 . 1 37 37 GLU CA C 13 56.609 0.007 . 1 . . . . . 37 Glu CA . 28005 1 120 . 1 . 1 37 37 GLU CB C 13 30.118 0.026 . 1 . . . . . 37 Glu CB . 28005 1 121 . 1 . 1 37 37 GLU N N 15 121.838 0.006 . 1 . . . . . 37 Glu N . 28005 1 122 . 1 . 1 38 38 VAL H H 1 8.252 0.001 . 1 . . . . . 38 Val H . 28005 1 123 . 1 . 1 38 38 VAL CA C 13 62.393 0.018 . 1 . . . . . 38 Val CA . 28005 1 124 . 1 . 1 38 38 VAL CB C 13 32.835 0.032 . 1 . . . . . 38 Val CB . 28005 1 125 . 1 . 1 38 38 VAL N N 15 121.507 0.009 . 1 . . . . . 38 Val N . 28005 1 126 . 1 . 1 39 39 GLU H H 1 8.582 0.000 . 1 . . . . . 39 Glu H . 28005 1 127 . 1 . 1 39 39 GLU CA C 13 56.466 0.021 . 1 . . . . . 39 Glu CA . 28005 1 128 . 1 . 1 39 39 GLU CB C 13 30.148 0.008 . 1 . . . . . 39 Glu CB . 28005 1 129 . 1 . 1 39 39 GLU N N 15 125.184 0.005 . 1 . . . . . 39 Glu N . 28005 1 130 . 1 . 1 40 40 ALA H H 1 8.486 0.001 . 1 . . . . . 40 Ala H . 28005 1 131 . 1 . 1 40 40 ALA CA C 13 52.747 0.008 . 1 . . . . . 40 Ala CA . 28005 1 132 . 1 . 1 40 40 ALA CB C 13 19.175 0.011 . 1 . . . . . 40 Ala CB . 28005 1 133 . 1 . 1 40 40 ALA N N 15 125.757 0.009 . 1 . . . . . 40 Ala N . 28005 1 134 . 1 . 1 41 41 GLY H H 1 8.476 0.001 . 1 . . . . . 41 Gly H . 28005 1 135 . 1 . 1 41 41 GLY CA C 13 45.135 0.002 . 1 . . . . . 41 Gly CA . 28005 1 136 . 1 . 1 41 41 GLY N N 15 108.507 0.011 . 1 . . . . . 41 Gly N . 28005 1 137 . 1 . 1 42 42 VAL H H 1 8.011 0.000 . 1 . . . . . 42 Val H . 28005 1 138 . 1 . 1 42 42 VAL CA C 13 62.070 0.003 . 1 . . . . . 42 Val CA . 28005 1 139 . 1 . 1 42 42 VAL CB C 13 32.724 0.020 . 1 . . . . . 42 Val CB . 28005 1 140 . 1 . 1 42 42 VAL N N 15 119.855 0.011 . 1 . . . . . 42 Val N . 28005 1 141 . 1 . 1 43 43 LEU H H 1 8.637 0.001 . 1 . . . . . 43 Leu H . 28005 1 142 . 1 . 1 43 43 LEU CA C 13 52.816 0.000 . 1 . . . . . 43 Leu CA . 28005 1 143 . 1 . 1 43 43 LEU CB C 13 41.372 0.000 . 1 . . . . . 43 Leu CB . 28005 1 144 . 1 . 1 43 43 LEU N N 15 128.524 0.017 . 1 . . . . . 43 Leu N . 28005 1 145 . 1 . 1 44 44 PRO CA C 13 63.265 0.023 . 1 . . . . . 44 Pro CA . 28005 1 146 . 1 . 1 44 44 PRO CB C 13 32.036 0.011 . 1 . . . . . 44 Pro CB . 28005 1 147 . 1 . 1 45 45 GLU H H 1 8.771 0.001 . 1 . . . . . 45 Glu H . 28005 1 148 . 1 . 1 45 45 GLU CA C 13 56.969 0.019 . 1 . . . . . 45 Glu CA . 28005 1 149 . 1 . 1 45 45 GLU CB C 13 29.915 0.018 . 1 . . . . . 45 Glu CB . 28005 1 150 . 1 . 1 45 45 GLU N N 15 120.662 0.005 . 1 . . . . . 45 Glu N . 28005 1 151 . 1 . 1 46 46 ASP H H 1 8.396 0.001 . 1 . . . . . 46 Asp H . 28005 1 152 . 1 . 1 46 46 ASP CA C 13 54.584 0.032 . 1 . . . . . 46 Asp CA . 28005 1 153 . 1 . 1 46 46 ASP CB C 13 41.057 0.008 . 1 . . . . . 46 Asp CB . 28005 1 154 . 1 . 1 46 46 ASP N N 15 121.158 0.011 . 1 . . . . . 46 Asp N . 28005 1 155 . 1 . 1 47 47 SER H H 1 8.283 0.001 . 1 . . . . . 47 Ser H . 28005 1 156 . 1 . 1 47 47 SER CA C 13 58.569 0.003 . 1 . . . . . 47 Ser CA . 28005 1 157 . 1 . 1 47 47 SER CB C 13 63.791 0.022 . 1 . . . . . 47 Ser CB . 28005 1 158 . 1 . 1 47 47 SER N N 15 116.167 0.009 . 1 . . . . . 47 Ser N . 28005 1 159 . 1 . 1 48 48 ILE H H 1 8.218 0.001 . 1 . . . . . 48 Ile H . 28005 1 160 . 1 . 1 48 48 ILE CA C 13 61.819 0.008 . 1 . . . . . 48 Ile CA . 28005 1 161 . 1 . 1 48 48 ILE CB C 13 38.235 0.016 . 1 . . . . . 48 Ile CB . 28005 1 162 . 1 . 1 48 48 ILE N N 15 122.546 0.005 . 1 . . . . . 48 Ile N . 28005 1 163 . 1 . 1 49 49 LEU H H 1 8.219 0.001 . 1 . . . . . 49 Leu H . 28005 1 164 . 1 . 1 49 49 LEU CA C 13 55.577 0.051 . 1 . . . . . 49 Leu CA . 28005 1 165 . 1 . 1 49 49 LEU CB C 13 42.081 0.013 . 1 . . . . . 49 Leu CB . 28005 1 166 . 1 . 1 49 49 LEU N N 15 124.695 0.009 . 1 . . . . . 49 Leu N . 28005 1 167 . 1 . 1 50 50 ASP H H 1 8.252 0.001 . 1 . . . . . 50 Asp H . 28005 1 168 . 1 . 1 50 50 ASP CA C 13 54.953 0.042 . 1 . . . . . 50 Asp CA . 28005 1 169 . 1 . 1 50 50 ASP CB C 13 41.022 0.011 . 1 . . . . . 50 Asp CB . 28005 1 170 . 1 . 1 50 50 ASP N N 15 120.873 0.006 . 1 . . . . . 50 Asp N . 28005 1 171 . 1 . 1 51 51 LYS H H 1 8.146 0.001 . 1 . . . . . 51 Lys H . 28005 1 172 . 1 . 1 51 51 LYS CA C 13 57.223 0.036 . 1 . . . . . 51 Lys CA . 28005 1 173 . 1 . 1 51 51 LYS CB C 13 32.651 0.057 . 1 . . . . . 51 Lys CB . 28005 1 174 . 1 . 1 51 51 LYS N N 15 120.770 0.006 . 1 . . . . . 51 Lys N . 28005 1 175 . 1 . 1 52 52 TYR H H 1 8.213 0.001 . 1 . . . . . 52 Tyr H . 28005 1 176 . 1 . 1 52 52 TYR CA C 13 58.585 0.012 . 1 . . . . . 52 Tyr CA . 28005 1 177 . 1 . 1 52 52 TYR CB C 13 38.360 0.024 . 1 . . . . . 52 Tyr CB . 28005 1 178 . 1 . 1 52 52 TYR N N 15 120.655 0.014 . 1 . . . . . 52 Tyr N . 28005 1 179 . 1 . 1 53 53 VAL H H 1 7.984 0.002 . 1 . . . . . 53 Val H . 28005 1 180 . 1 . 1 53 53 VAL CA C 13 63.025 0.051 . 1 . . . . . 53 Val CA . 28005 1 181 . 1 . 1 53 53 VAL CB C 13 32.637 0.019 . 1 . . . . . 53 Val CB . 28005 1 182 . 1 . 1 53 53 VAL N N 15 122.829 0.015 . 1 . . . . . 53 Val N . 28005 1 183 . 1 . 1 54 54 LYS H H 1 8.314 0.002 . 1 . . . . . 54 Lys H . 28005 1 184 . 1 . 1 54 54 LYS CA C 13 57.117 0.000 . 1 . . . . . 54 Lys CA . 28005 1 185 . 1 . 1 54 54 LYS CB C 13 32.891 0.000 . 1 . . . . . 54 Lys CB . 28005 1 186 . 1 . 1 54 54 LYS N N 15 124.505 0.026 . 1 . . . . . 54 Lys N . 28005 1 187 . 1 . 1 56 56 HIS CA C 13 56.651 0.017 . 1 . . . . . 56 His CA . 28005 1 188 . 1 . 1 56 56 HIS CB C 13 30.601 0.007 . 1 . . . . . 56 His CB . 28005 1 189 . 1 . 1 57 57 ARG H H 1 8.299 0.001 . 1 . . . . . 57 Arg H . 28005 1 190 . 1 . 1 57 57 ARG CA C 13 56.823 0.015 . 1 . . . . . 57 Arg CA . 28005 1 191 . 1 . 1 57 57 ARG CB C 13 30.696 0.027 . 1 . . . . . 57 Arg CB . 28005 1 192 . 1 . 1 57 57 ARG N N 15 122.706 0.006 . 1 . . . . . 57 Arg N . 28005 1 193 . 1 . 1 58 58 ASP H H 1 8.718 0.004 . 1 . . . . . 58 Asp H . 28005 1 194 . 1 . 1 58 58 ASP CA C 13 55.090 0.046 . 1 . . . . . 58 Asp CA . 28005 1 195 . 1 . 1 58 58 ASP CB C 13 40.780 0.016 . 1 . . . . . 58 Asp CB . 28005 1 196 . 1 . 1 58 58 ASP N N 15 121.385 0.014 . 1 . . . . . 58 Asp N . 28005 1 197 . 1 . 1 59 59 GLU H H 1 8.359 0.002 . 1 . . . . . 59 Glu H . 28005 1 198 . 1 . 1 59 59 GLU CA C 13 57.197 0.022 . 1 . . . . . 59 Glu CA . 28005 1 199 . 1 . 1 59 59 GLU CB C 13 30.053 0.037 . 1 . . . . . 59 Glu CB . 28005 1 200 . 1 . 1 59 59 GLU N N 15 121.335 0.005 . 1 . . . . . 59 Glu N . 28005 1 201 . 1 . 1 60 60 ILE H H 1 8.159 0.002 . 1 . . . . . 60 Ile H . 28005 1 202 . 1 . 1 60 60 ILE CA C 13 61.900 0.037 . 1 . . . . . 60 Ile CA . 28005 1 203 . 1 . 1 60 60 ILE CB C 13 38.368 0.038 . 1 . . . . . 60 Ile CB . 28005 1 204 . 1 . 1 60 60 ILE N N 15 121.504 0.012 . 1 . . . . . 60 Ile N . 28005 1 205 . 1 . 1 61 61 GLU H H 1 8.481 0.001 . 1 . . . . . 61 Glu H . 28005 1 206 . 1 . 1 61 61 GLU CA C 13 57.185 0.002 . 1 . . . . . 61 Glu CA . 28005 1 207 . 1 . 1 61 61 GLU CB C 13 29.849 0.017 . 1 . . . . . 61 Glu CB . 28005 1 208 . 1 . 1 61 61 GLU N N 15 124.037 0.003 . 1 . . . . . 61 Glu N . 28005 1 209 . 1 . 1 62 62 ALA H H 1 8.324 0.001 . 1 . . . . . 62 Ala H . 28005 1 210 . 1 . 1 62 62 ALA CA C 13 53.358 0.039 . 1 . . . . . 62 Ala CA . 28005 1 211 . 1 . 1 62 62 ALA CB C 13 18.905 0.029 . 1 . . . . . 62 Ala CB . 28005 1 212 . 1 . 1 62 62 ALA N N 15 124.386 0.012 . 1 . . . . . 62 Ala N . 28005 1 213 . 1 . 1 63 63 ASP H H 1 8.321 0.003 . 1 . . . . . 63 Asp H . 28005 1 214 . 1 . 1 63 63 ASP CA C 13 54.974 0.004 . 1 . . . . . 63 Asp CA . 28005 1 215 . 1 . 1 63 63 ASP CB C 13 40.771 0.057 . 1 . . . . . 63 Asp CB . 28005 1 216 . 1 . 1 63 63 ASP N N 15 119.373 0.007 . 1 . . . . . 63 Asp N . 28005 1 217 . 1 . 1 64 64 LYS H H 1 8.148 0.001 . 1 . . . . . 64 Lys H . 28005 1 218 . 1 . 1 64 64 LYS CA C 13 57.211 0.009 . 1 . . . . . 64 Lys CA . 28005 1 219 . 1 . 1 64 64 LYS CB C 13 32.371 0.029 . 1 . . . . . 64 Lys CB . 28005 1 220 . 1 . 1 64 64 LYS N N 15 121.523 0.007 . 1 . . . . . 64 Lys N . 28005 1 221 . 1 . 1 65 65 PHE H H 1 8.251 0.002 . 1 . . . . . 65 Phe H . 28005 1 222 . 1 . 1 65 65 PHE CA C 13 58.528 0.004 . 1 . . . . . 65 Phe CA . 28005 1 223 . 1 . 1 65 65 PHE CB C 13 39.016 0.024 . 1 . . . . . 65 Phe CB . 28005 1 224 . 1 . 1 65 65 PHE N N 15 120.000 0.008 . 1 . . . . . 65 Phe N . 28005 1 225 . 1 . 1 66 66 ALA H H 1 8.050 0.001 . 1 . . . . . 66 Ala H . 28005 1 226 . 1 . 1 66 66 ALA CA C 13 53.157 0.042 . 1 . . . . . 66 Ala CA . 28005 1 227 . 1 . 1 66 66 ALA CB C 13 18.942 0.009 . 1 . . . . . 66 Ala CB . 28005 1 228 . 1 . 1 66 66 ALA N N 15 123.929 0.012 . 1 . . . . . 66 Ala N . 28005 1 229 . 1 . 1 67 67 GLU H H 1 8.293 0.003 . 1 . . . . . 67 Glu H . 28005 1 230 . 1 . 1 67 67 GLU CA C 13 56.913 0.027 . 1 . . . . . 67 Glu CA . 28005 1 231 . 1 . 1 67 67 GLU CB C 13 29.929 0.045 . 1 . . . . . 67 Glu CB . 28005 1 232 . 1 . 1 67 67 GLU N N 15 119.340 0.005 . 1 . . . . . 67 Glu N . 28005 1 233 . 1 . 1 68 68 ARG H H 1 8.214 0.000 . 1 . . . . . 68 Arg H . 28005 1 234 . 1 . 1 68 68 ARG CA C 13 56.529 0.033 . 1 . . . . . 68 Arg CA . 28005 1 235 . 1 . 1 68 68 ARG CB C 13 30.460 0.048 . 1 . . . . . 68 Arg CB . 28005 1 236 . 1 . 1 68 68 ARG N N 15 121.335 0.007 . 1 . . . . . 68 Arg N . 28005 1 237 . 1 . 1 69 69 GLN H H 1 8.305 0.001 . 1 . . . . . 69 Gln H . 28005 1 238 . 1 . 1 69 69 GLN CA C 13 55.779 0.010 . 1 . . . . . 69 Gln CA . 28005 1 239 . 1 . 1 69 69 GLN CB C 13 29.257 0.050 . 1 . . . . . 69 Gln CB . 28005 1 240 . 1 . 1 69 69 GLN N N 15 120.695 0.011 . 1 . . . . . 69 Gln N . 28005 1 241 . 1 . 1 70 70 TYR H H 1 8.243 0.001 . 1 . . . . . 70 Tyr H . 28005 1 242 . 1 . 1 70 70 TYR CA C 13 57.921 0.007 . 1 . . . . . 70 Tyr CA . 28005 1 243 . 1 . 1 70 70 TYR CB C 13 38.774 0.023 . 1 . . . . . 70 Tyr CB . 28005 1 244 . 1 . 1 70 70 TYR N N 15 121.418 0.005 . 1 . . . . . 70 Tyr N . 28005 1 245 . 1 . 1 71 71 LYS H H 1 8.225 0.001 . 1 . . . . . 71 Lys H . 28005 1 246 . 1 . 1 71 71 LYS CA C 13 55.893 0.032 . 1 . . . . . 71 Lys CA . 28005 1 247 . 1 . 1 71 71 LYS CB C 13 33.189 0.013 . 1 . . . . . 71 Lys CB . 28005 1 248 . 1 . 1 71 71 LYS N N 15 123.885 0.017 . 1 . . . . . 71 Lys N . 28005 1 249 . 1 . 1 72 72 LYS H H 1 8.423 0.001 . 1 . . . . . 72 Lys H . 28005 1 250 . 1 . 1 72 72 LYS CA C 13 56.756 0.068 . 1 . . . . . 72 Lys CA . 28005 1 251 . 1 . 1 72 72 LYS CB C 13 32.841 0.016 . 1 . . . . . 72 Lys CB . 28005 1 252 . 1 . 1 72 72 LYS N N 15 124.049 0.018 . 1 . . . . . 72 Lys N . 28005 1 253 . 1 . 1 73 73 GLU H H 1 8.632 0.003 . 1 . . . . . 73 Glu H . 28005 1 254 . 1 . 1 73 73 GLU CA C 13 56.628 0.052 . 1 . . . . . 73 Glu CA . 28005 1 255 . 1 . 1 73 73 GLU CB C 13 30.097 0.019 . 1 . . . . . 73 Glu CB . 28005 1 256 . 1 . 1 73 73 GLU N N 15 122.633 0.008 . 1 . . . . . 73 Glu N . 28005 1 257 . 1 . 1 74 74 GLU H H 1 8.405 0.001 . 1 . . . . . 74 Glu H . 28005 1 258 . 1 . 1 74 74 GLU CA C 13 56.339 0.011 . 1 . . . . . 74 Glu CA . 28005 1 259 . 1 . 1 74 74 GLU CB C 13 30.401 0.029 . 1 . . . . . 74 Glu CB . 28005 1 260 . 1 . 1 74 74 GLU N N 15 122.063 0.004 . 1 . . . . . 74 Glu N . 28005 1 261 . 1 . 1 75 75 PHE H H 1 8.399 0.002 . 1 . . . . . 75 Phe H . 28005 1 262 . 1 . 1 75 75 PHE CA C 13 57.704 0.006 . 1 . . . . . 75 Phe CA . 28005 1 263 . 1 . 1 75 75 PHE CB C 13 39.629 0.004 . 1 . . . . . 75 Phe CB . 28005 1 264 . 1 . 1 75 75 PHE N N 15 121.865 0.005 . 1 . . . . . 75 Phe N . 28005 1 265 . 1 . 1 76 76 VAL H H 1 8.111 0.000 . 1 . . . . . 76 Val H . 28005 1 266 . 1 . 1 76 76 VAL CA C 13 61.912 0.013 . 1 . . . . . 76 Val CA . 28005 1 267 . 1 . 1 76 76 VAL CB C 13 33.090 0.016 . 1 . . . . . 76 Val CB . 28005 1 268 . 1 . 1 76 76 VAL N N 15 124.165 0.010 . 1 . . . . . 76 Val N . 28005 1 269 . 1 . 1 77 77 GLU H H 1 8.535 0.001 . 1 . . . . . 77 Glu H . 28005 1 270 . 1 . 1 77 77 GLU CA C 13 56.383 0.008 . 1 . . . . . 77 Glu CA . 28005 1 271 . 1 . 1 77 77 GLU CB C 13 30.291 0.011 . 1 . . . . . 77 Glu CB . 28005 1 272 . 1 . 1 77 77 GLU N N 15 125.544 0.005 . 1 . . . . . 77 Glu N . 28005 1 273 . 1 . 1 78 78 GLU H H 1 8.638 0.001 . 1 . . . . . 78 Glu H . 28005 1 274 . 1 . 1 78 78 GLU CA C 13 56.533 0.006 . 1 . . . . . 78 Glu CA . 28005 1 275 . 1 . 1 78 78 GLU CB C 13 30.371 0.003 . 1 . . . . . 78 Glu CB . 28005 1 276 . 1 . 1 78 78 GLU N N 15 123.283 0.008 . 1 . . . . . 78 Glu N . 28005 1 277 . 1 . 1 79 79 GLN H H 1 8.590 0.006 . 1 . . . . . 79 Gln H . 28005 1 278 . 1 . 1 79 79 GLN CA C 13 55.698 0.020 . 1 . . . . . 79 Gln CA . 28005 1 279 . 1 . 1 79 79 GLN CB C 13 29.854 0.028 . 1 . . . . . 79 Gln CB . 28005 1 280 . 1 . 1 79 79 GLN N N 15 122.386 0.066 . 1 . . . . . 79 Gln N . 28005 1 281 . 1 . 1 80 80 SER H H 1 8.776 0.003 . 1 . . . . . 80 Ser H . 28005 1 282 . 1 . 1 80 80 SER CA C 13 57.934 0.004 . 1 . . . . . 80 Ser CA . 28005 1 283 . 1 . 1 80 80 SER CB C 13 63.976 0.003 . 1 . . . . . 80 Ser CB . 28005 1 284 . 1 . 1 80 80 SER N N 15 118.858 0.017 . 1 . . . . . 80 Ser N . 28005 1 285 . 1 . 1 81 81 LEU H H 1 8.608 0.001 . 1 . . . . . 81 Leu H . 28005 1 286 . 1 . 1 81 81 LEU CA C 13 56.102 0.003 . 1 . . . . . 81 Leu CA . 28005 1 287 . 1 . 1 81 81 LEU CB C 13 41.815 0.019 . 1 . . . . . 81 Leu CB . 28005 1 288 . 1 . 1 81 81 LEU N N 15 124.750 0.016 . 1 . . . . . 81 Leu N . 28005 1 289 . 1 . 1 82 82 ASP H H 1 8.285 0.001 . 1 . . . . . 82 Asp H . 28005 1 290 . 1 . 1 82 82 ASP CA C 13 55.559 0.021 . 1 . . . . . 82 Asp CA . 28005 1 291 . 1 . 1 82 82 ASP CB C 13 40.925 0.042 . 1 . . . . . 82 Asp CB . 28005 1 292 . 1 . 1 82 82 ASP N N 15 119.638 0.032 . 1 . . . . . 82 Asp N . 28005 1 293 . 1 . 1 83 83 ASP H H 1 8.195 0.001 . 1 . . . . . 83 Asp H . 28005 1 294 . 1 . 1 83 83 ASP CA C 13 55.364 0.036 . 1 . . . . . 83 Asp CA . 28005 1 295 . 1 . 1 83 83 ASP CB C 13 40.681 0.053 . 1 . . . . . 83 Asp CB . 28005 1 296 . 1 . 1 83 83 ASP N N 15 120.592 0.008 . 1 . . . . . 83 Asp N . 28005 1 297 . 1 . 1 84 84 LEU H H 1 8.081 0.001 . 1 . . . . . 84 Leu H . 28005 1 298 . 1 . 1 84 84 LEU CA C 13 56.360 0.038 . 1 . . . . . 84 Leu CA . 28005 1 299 . 1 . 1 84 84 LEU CB C 13 41.887 0.014 . 1 . . . . . 84 Leu CB . 28005 1 300 . 1 . 1 84 84 LEU N N 15 122.005 0.009 . 1 . . . . . 84 Leu N . 28005 1 301 . 1 . 1 85 85 ILE H H 1 8.175 0.001 . 1 . . . . . 85 Ile H . 28005 1 302 . 1 . 1 85 85 ILE CA C 13 62.472 0.014 . 1 . . . . . 85 Ile CA . 28005 1 303 . 1 . 1 85 85 ILE CB C 13 37.993 0.031 . 1 . . . . . 85 Ile CB . 28005 1 304 . 1 . 1 85 85 ILE N N 15 121.477 0.017 . 1 . . . . . 85 Ile N . 28005 1 305 . 1 . 1 86 86 GLN H H 1 8.331 0.002 . 1 . . . . . 86 Gln H . 28005 1 306 . 1 . 1 86 86 GLN CA C 13 56.917 0.042 . 1 . . . . . 86 Gln CA . 28005 1 307 . 1 . 1 86 86 GLN CB C 13 28.727 0.028 . 1 . . . . . 86 Gln CB . 28005 1 308 . 1 . 1 86 86 GLN N N 15 123.103 0.022 . 1 . . . . . 86 Gln N . 28005 1 309 . 1 . 1 87 87 GLU H H 1 8.426 0.003 . 1 . . . . . 87 Glu H . 28005 1 310 . 1 . 1 87 87 GLU CA C 13 57.680 0.020 . 1 . . . . . 87 Glu CA . 28005 1 311 . 1 . 1 87 87 GLU CB C 13 29.958 0.075 . 1 . . . . . 87 Glu CB . 28005 1 312 . 1 . 1 87 87 GLU N N 15 121.532 0.021 . 1 . . . . . 87 Glu N . 28005 1 313 . 1 . 1 88 88 MET H H 1 8.387 0.001 . 1 . . . . . 88 Met H . 28005 1 314 . 1 . 1 88 88 MET CA C 13 56.486 0.081 . 1 . . . . . 88 Met CA . 28005 1 315 . 1 . 1 88 88 MET CB C 13 32.486 0.025 . 1 . . . . . 88 Met CB . 28005 1 316 . 1 . 1 88 88 MET N N 15 120.878 0.013 . 1 . . . . . 88 Met N . 28005 1 317 . 1 . 1 89 89 ARG H H 1 8.321 0.002 . 1 . . . . . 89 Arg H . 28005 1 318 . 1 . 1 89 89 ARG CA C 13 57.201 0.058 . 1 . . . . . 89 Arg CA . 28005 1 319 . 1 . 1 89 89 ARG CB C 13 30.644 0.082 . 1 . . . . . 89 Arg CB . 28005 1 320 . 1 . 1 89 89 ARG N N 15 122.180 0.012 . 1 . . . . . 89 Arg N . 28005 1 321 . 1 . 1 90 90 GLU H H 1 8.448 0.001 . 1 . . . . . 90 Glu H . 28005 1 322 . 1 . 1 90 90 GLU CA C 13 57.087 0.023 . 1 . . . . . 90 Glu CA . 28005 1 323 . 1 . 1 90 90 GLU CB C 13 29.966 0.024 . 1 . . . . . 90 Glu CB . 28005 1 324 . 1 . 1 90 90 GLU N N 15 121.135 0.015 . 1 . . . . . 90 Glu N . 28005 1 325 . 1 . 1 91 91 ALA H H 1 8.236 0.003 . 1 . . . . . 91 Ala H . 28005 1 326 . 1 . 1 91 91 ALA CA C 13 53.059 0.024 . 1 . . . . . 91 Ala CA . 28005 1 327 . 1 . 1 91 91 ALA CB C 13 18.805 0.015 . 1 . . . . . 91 Ala CB . 28005 1 328 . 1 . 1 91 91 ALA N N 15 124.437 0.025 . 1 . . . . . 91 Ala N . 28005 1 329 . 1 . 1 92 92 VAL H H 1 8.105 0.001 . 1 . . . . . 92 Val H . 28005 1 330 . 1 . 1 92 92 VAL CA C 13 63.045 0.036 . 1 . . . . . 92 Val CA . 28005 1 331 . 1 . 1 92 92 VAL CB C 13 32.618 0.040 . 1 . . . . . 92 Val CB . 28005 1 332 . 1 . 1 92 92 VAL N N 15 119.766 0.010 . 1 . . . . . 92 Val N . 28005 1 333 . 1 . 1 93 93 GLU H H 1 8.491 0.002 . 1 . . . . . 93 Glu H . 28005 1 334 . 1 . 1 93 93 GLU CA C 13 56.956 0.055 . 1 . . . . . 93 Glu CA . 28005 1 335 . 1 . 1 93 93 GLU CB C 13 30.096 0.076 . 1 . . . . . 93 Glu CB . 28005 1 336 . 1 . 1 93 93 GLU N N 15 124.189 0.028 . 1 . . . . . 93 Glu N . 28005 1 337 . 1 . 1 94 94 LYS H H 1 8.437 0.002 . 1 . . . . . 94 Lys H . 28005 1 338 . 1 . 1 94 94 LYS CA C 13 56.664 0.021 . 1 . . . . . 94 Lys CA . 28005 1 339 . 1 . 1 94 94 LYS CB C 13 32.925 0.016 . 1 . . . . . 94 Lys CB . 28005 1 340 . 1 . 1 94 94 LYS N N 15 122.601 0.023 . 1 . . . . . 94 Lys N . 28005 1 341 . 1 . 1 95 95 SER H H 1 8.420 0.003 . 1 . . . . . 95 Ser H . 28005 1 342 . 1 . 1 95 95 SER CA C 13 58.637 0.024 . 1 . . . . . 95 Ser CA . 28005 1 343 . 1 . 1 95 95 SER CB C 13 63.724 0.019 . 1 . . . . . 95 Ser CB . 28005 1 344 . 1 . 1 95 95 SER N N 15 117.569 0.020 . 1 . . . . . 95 Ser N . 28005 1 345 . 1 . 1 96 96 GLU H H 1 8.547 0.002 . 1 . . . . . 96 Glu H . 28005 1 346 . 1 . 1 96 96 GLU CA C 13 56.554 0.020 . 1 . . . . . 96 Glu CA . 28005 1 347 . 1 . 1 96 96 GLU CB C 13 30.185 0.038 . 1 . . . . . 96 Glu CB . 28005 1 348 . 1 . 1 96 96 GLU N N 15 123.048 0.017 . 1 . . . . . 96 Glu N . 28005 1 349 . 1 . 1 97 97 ALA H H 1 8.355 0.003 . 1 . . . . . 97 Ala H . 28005 1 350 . 1 . 1 97 97 ALA CA C 13 52.603 0.023 . 1 . . . . . 97 Ala CA . 28005 1 351 . 1 . 1 97 97 ALA CB C 13 19.128 0.005 . 1 . . . . . 97 Ala CB . 28005 1 352 . 1 . 1 97 97 ALA N N 15 124.972 0.017 . 1 . . . . . 97 Ala N . 28005 1 353 . 1 . 1 98 98 SER H H 1 8.420 0.001 . 1 . . . . . 98 Ser H . 28005 1 354 . 1 . 1 98 98 SER CA C 13 58.282 0.022 . 1 . . . . . 98 Ser CA . 28005 1 355 . 1 . 1 98 98 SER CB C 13 63.810 0.049 . 1 . . . . . 98 Ser CB . 28005 1 356 . 1 . 1 98 98 SER N N 15 115.595 0.013 . 1 . . . . . 98 Ser N . 28005 1 357 . 1 . 1 99 99 SER H H 1 8.499 0.002 . 1 . . . . . 99 Ser H . 28005 1 358 . 1 . 1 99 99 SER CA C 13 58.411 0.038 . 1 . . . . . 99 Ser CA . 28005 1 359 . 1 . 1 99 99 SER CB C 13 63.777 0.015 . 1 . . . . . 99 Ser CB . 28005 1 360 . 1 . 1 99 99 SER N N 15 118.348 0.010 . 1 . . . . . 99 Ser N . 28005 1 361 . 1 . 1 100 100 GLU H H 1 8.463 0.001 . 1 . . . . . 100 Glu H . 28005 1 362 . 1 . 1 100 100 GLU CA C 13 56.298 0.016 . 1 . . . . . 100 Glu CA . 28005 1 363 . 1 . 1 100 100 GLU CB C 13 30.367 0.005 . 1 . . . . . 100 Glu CB . 28005 1 364 . 1 . 1 100 100 GLU N N 15 122.615 0.010 . 1 . . . . . 100 Glu N . 28005 1 365 . 1 . 1 101 101 GLU H H 1 8.478 0.002 . 1 . . . . . 101 Glu H . 28005 1 366 . 1 . 1 101 101 GLU CA C 13 56.242 0.024 . 1 . . . . . 101 Glu CA . 28005 1 367 . 1 . 1 101 101 GLU CB C 13 30.229 0.045 . 1 . . . . . 101 Glu CB . 28005 1 368 . 1 . 1 101 101 GLU N N 15 122.604 0.019 . 1 . . . . . 101 Glu N . 28005 1 369 . 1 . 1 102 102 VAL H H 1 8.469 0.002 . 1 . . . . . 102 Val H . 28005 1 370 . 1 . 1 102 102 VAL CA C 13 59.845 0.000 . 1 . . . . . 102 Val CA . 28005 1 371 . 1 . 1 102 102 VAL CB C 13 32.525 0.000 . 1 . . . . . 102 Val CB . 28005 1 372 . 1 . 1 102 102 VAL N N 15 124.253 0.012 . 1 . . . . . 102 Val N . 28005 1 373 . 1 . 1 103 103 PRO CA C 13 63.032 0.034 . 1 . . . . . 103 Pro CA . 28005 1 374 . 1 . 1 103 103 PRO CB C 13 32.230 0.010 . 1 . . . . . 103 Pro CB . 28005 1 375 . 1 . 1 104 104 SER H H 1 8.689 0.001 . 1 . . . . . 104 Ser H . 28005 1 376 . 1 . 1 104 104 SER CA C 13 58.173 0.026 . 1 . . . . . 104 Ser CA . 28005 1 377 . 1 . 1 104 104 SER CB C 13 63.921 0.064 . 1 . . . . . 104 Ser CB . 28005 1 378 . 1 . 1 104 104 SER N N 15 117.149 0.011 . 1 . . . . . 104 Ser N . 28005 1 379 . 1 . 1 105 105 SER H H 1 8.599 0.001 . 1 . . . . . 105 Ser H . 28005 1 380 . 1 . 1 105 105 SER CA C 13 58.539 0.021 . 1 . . . . . 105 Ser CA . 28005 1 381 . 1 . 1 105 105 SER CB C 13 63.715 0.011 . 1 . . . . . 105 Ser CB . 28005 1 382 . 1 . 1 105 105 SER N N 15 118.519 0.010 . 1 . . . . . 105 Ser N . 28005 1 383 . 1 . 1 106 106 GLU H H 1 8.521 0.001 . 1 . . . . . 106 Glu H . 28005 1 384 . 1 . 1 106 106 GLU CA C 13 56.478 0.005 . 1 . . . . . 106 Glu CA . 28005 1 385 . 1 . 1 106 106 GLU CB C 13 30.213 0.019 . 1 . . . . . 106 Glu CB . 28005 1 386 . 1 . 1 106 106 GLU N N 15 122.380 0.013 . 1 . . . . . 106 Glu N . 28005 1 387 . 1 . 1 107 107 ASP H H 1 8.366 0.002 . 1 . . . . . 107 Asp H . 28005 1 388 . 1 . 1 107 107 ASP CA C 13 54.445 0.003 . 1 . . . . . 107 Asp CA . 28005 1 389 . 1 . 1 107 107 ASP CB C 13 40.955 0.023 . 1 . . . . . 107 Asp CB . 28005 1 390 . 1 . 1 107 107 ASP N N 15 121.695 0.013 . 1 . . . . . 107 Asp N . 28005 1 391 . 1 . 1 108 108 ILE H H 1 8.109 0.001 . 1 . . . . . 108 Ile H . 28005 1 392 . 1 . 1 108 108 ILE CA C 13 61.034 0.014 . 1 . . . . . 108 Ile CA . 28005 1 393 . 1 . 1 108 108 ILE CB C 13 38.622 0.017 . 1 . . . . . 108 Ile CB . 28005 1 394 . 1 . 1 108 108 ILE N N 15 121.333 0.008 . 1 . . . . . 108 Ile N . 28005 1 395 . 1 . 1 109 109 LEU H H 1 8.407 0.000 . 1 . . . . . 109 Leu H . 28005 1 396 . 1 . 1 109 109 LEU CA C 13 54.668 0.006 . 1 . . . . . 109 Leu CA . 28005 1 397 . 1 . 1 109 109 LEU CB C 13 42.101 0.007 . 1 . . . . . 109 Leu CB . 28005 1 398 . 1 . 1 109 109 LEU N N 15 127.047 0.011 . 1 . . . . . 109 Leu N . 28005 1 399 . 1 . 1 110 110 LEU H H 1 8.312 0.001 . 1 . . . . . 110 Leu H . 28005 1 400 . 1 . 1 110 110 LEU CA C 13 52.706 0.000 . 1 . . . . . 110 Leu CA . 28005 1 401 . 1 . 1 110 110 LEU CB C 13 41.639 0.000 . 1 . . . . . 110 Leu CB . 28005 1 402 . 1 . 1 110 110 LEU N N 15 125.672 0.022 . 1 . . . . . 110 Leu N . 28005 1 403 . 1 . 1 111 111 PRO CA C 13 62.622 0.011 . 1 . . . . . 111 Pro CA . 28005 1 404 . 1 . 1 111 111 PRO CB C 13 31.971 0.030 . 1 . . . . . 111 Pro CB . 28005 1 405 . 1 . 1 112 112 LEU H H 1 8.415 0.000 . 1 . . . . . 112 Leu H . 28005 1 406 . 1 . 1 112 112 LEU CA C 13 52.930 0.000 . 1 . . . . . 112 Leu CA . 28005 1 407 . 1 . 1 112 112 LEU CB C 13 41.349 0.000 . 1 . . . . . 112 Leu CB . 28005 1 408 . 1 . 1 112 112 LEU N N 15 124.132 0.005 . 1 . . . . . 112 Leu N . 28005 1 409 . 1 . 1 113 113 PRO CA C 13 62.816 0.025 . 1 . . . . . 113 Pro CA . 28005 1 410 . 1 . 1 113 113 PRO CB C 13 32.030 0.022 . 1 . . . . . 113 Pro CB . 28005 1 411 . 1 . 1 114 114 LEU H H 1 8.488 0.000 . 1 . . . . . 114 Leu H . 28005 1 412 . 1 . 1 114 114 LEU CA C 13 54.880 0.035 . 1 . . . . . 114 Leu CA . 28005 1 413 . 1 . 1 114 114 LEU CB C 13 42.324 0.053 . 1 . . . . . 114 Leu CB . 28005 1 414 . 1 . 1 114 114 LEU N N 15 122.932 0.011 . 1 . . . . . 114 Leu N . 28005 1 415 . 1 . 1 115 115 ASP H H 1 8.464 0.001 . 1 . . . . . 115 Asp H . 28005 1 416 . 1 . 1 115 115 ASP CA C 13 54.287 0.025 . 1 . . . . . 115 Asp CA . 28005 1 417 . 1 . 1 115 115 ASP CB C 13 41.190 0.036 . 1 . . . . . 115 Asp CB . 28005 1 418 . 1 . 1 115 115 ASP N N 15 121.514 0.013 . 1 . . . . . 115 Asp N . 28005 1 419 . 1 . 1 116 116 ASP H H 1 8.389 0.002 . 1 . . . . . 116 Asp H . 28005 1 420 . 1 . 1 116 116 ASP CA C 13 54.447 0.013 . 1 . . . . . 116 Asp CA . 28005 1 421 . 1 . 1 116 116 ASP CB C 13 41.140 0.019 . 1 . . . . . 116 Asp CB . 28005 1 422 . 1 . 1 116 116 ASP N N 15 120.865 0.011 . 1 . . . . . 116 Asp N . 28005 1 423 . 1 . 1 117 117 GLU H H 1 8.459 0.002 . 1 . . . . . 117 Glu H . 28005 1 424 . 1 . 1 117 117 GLU CA C 13 56.677 0.016 . 1 . . . . . 117 Glu CA . 28005 1 425 . 1 . 1 117 117 GLU CB C 13 30.201 0.024 . 1 . . . . . 117 Glu CB . 28005 1 426 . 1 . 1 117 117 GLU N N 15 121.175 0.017 . 1 . . . . . 117 Glu N . 28005 1 427 . 1 . 1 118 118 GLU H H 1 8.521 0.001 . 1 . . . . . 118 Glu H . 28005 1 428 . 1 . 1 118 118 GLU CA C 13 56.738 0.031 . 1 . . . . . 118 Glu CA . 28005 1 429 . 1 . 1 118 118 GLU CB C 13 29.850 0.023 . 1 . . . . . 118 Glu CB . 28005 1 430 . 1 . 1 118 118 GLU N N 15 122.014 0.018 . 1 . . . . . 118 Glu N . 28005 1 431 . 1 . 1 119 119 GLN H H 1 8.521 0.001 . 1 . . . . . 119 Gln H . 28005 1 432 . 1 . 1 119 119 GLN CA C 13 55.918 0.012 . 1 . . . . . 119 Gln CA . 28005 1 433 . 1 . 1 119 119 GLN CB C 13 29.495 0.011 . 1 . . . . . 119 Gln CB . 28005 1 434 . 1 . 1 119 119 GLN N N 15 121.762 0.002 . 1 . . . . . 119 Gln N . 28005 1 435 . 1 . 1 120 120 GLY H H 1 8.558 0.001 . 1 . . . . . 120 Gly H . 28005 1 436 . 1 . 1 120 120 GLY CA C 13 45.184 0.017 . 1 . . . . . 120 Gly CA . 28005 1 437 . 1 . 1 120 120 GLY N N 15 110.143 0.019 . 1 . . . . . 120 Gly N . 28005 1 438 . 1 . 1 121 121 LEU H H 1 8.197 0.003 . 1 . . . . . 121 Leu H . 28005 1 439 . 1 . 1 121 121 LEU CA C 13 54.663 0.011 . 1 . . . . . 121 Leu CA . 28005 1 440 . 1 . 1 121 121 LEU CB C 13 42.491 0.015 . 1 . . . . . 121 Leu CB . 28005 1 441 . 1 . 1 121 121 LEU N N 15 121.584 0.009 . 1 . . . . . 121 Leu N . 28005 1 442 . 1 . 1 122 122 ASP H H 1 8.499 0.001 . 1 . . . . . 122 Asp H . 28005 1 443 . 1 . 1 122 122 ASP CA C 13 52.174 0.000 . 1 . . . . . 122 Asp CA . 28005 1 444 . 1 . 1 122 122 ASP CB C 13 40.917 0.000 . 1 . . . . . 122 Asp CB . 28005 1 445 . 1 . 1 122 122 ASP N N 15 123.629 0.017 . 1 . . . . . 122 Asp N . 28005 1 446 . 1 . 1 123 123 PRO CA C 13 63.419 0.011 . 1 . . . . . 123 Pro CA . 28005 1 447 . 1 . 1 123 123 PRO CB C 13 32.173 0.008 . 1 . . . . . 123 Pro CB . 28005 1 448 . 1 . 1 124 124 LEU H H 1 8.447 0.001 . 1 . . . . . 124 Leu H . 28005 1 449 . 1 . 1 124 124 LEU CA C 13 55.329 0.024 . 1 . . . . . 124 Leu CA . 28005 1 450 . 1 . 1 124 124 LEU CB C 13 41.595 0.021 . 1 . . . . . 124 Leu CB . 28005 1 451 . 1 . 1 124 124 LEU N N 15 120.896 0.022 . 1 . . . . . 124 Leu N . 28005 1 452 . 1 . 1 125 125 LEU H H 1 8.040 0.002 . 1 . . . . . 125 Leu H . 28005 1 453 . 1 . 1 125 125 LEU CA C 13 54.791 0.004 . 1 . . . . . 125 Leu CA . 28005 1 454 . 1 . 1 125 125 LEU CB C 13 41.956 0.003 . 1 . . . . . 125 Leu CB . 28005 1 455 . 1 . 1 125 125 LEU N N 15 122.372 0.021 . 1 . . . . . 125 Leu N . 28005 1 456 . 1 . 1 126 126 LEU H H 1 8.153 0.001 . 1 . . . . . 126 Leu H . 28005 1 457 . 1 . 1 126 126 LEU CA C 13 54.770 0.030 . 1 . . . . . 126 Leu CA . 28005 1 458 . 1 . 1 126 126 LEU CB C 13 42.319 0.045 . 1 . . . . . 126 Leu CB . 28005 1 459 . 1 . 1 126 126 LEU N N 15 123.196 0.015 . 1 . . . . . 126 Leu N . 28005 1 460 . 1 . 1 127 127 ASP H H 1 8.387 0.001 . 1 . . . . . 127 Asp H . 28005 1 461 . 1 . 1 127 127 ASP CA C 13 54.278 0.021 . 1 . . . . . 127 Asp CA . 28005 1 462 . 1 . 1 127 127 ASP CB C 13 41.221 0.035 . 1 . . . . . 127 Asp CB . 28005 1 463 . 1 . 1 127 127 ASP N N 15 121.519 0.010 . 1 . . . . . 127 Asp N . 28005 1 464 . 1 . 1 128 128 ASP H H 1 8.370 0.001 . 1 . . . . . 128 Asp H . 28005 1 465 . 1 . 1 128 128 ASP CA C 13 54.253 0.021 . 1 . . . . . 128 Asp CA . 28005 1 466 . 1 . 1 128 128 ASP CB C 13 41.164 0.017 . 1 . . . . . 128 Asp CB . 28005 1 467 . 1 . 1 128 128 ASP N N 15 121.157 0.013 . 1 . . . . . 128 Asp N . 28005 1 468 . 1 . 1 129 129 GLU H H 1 8.406 0.003 . 1 . . . . . 129 Glu H . 28005 1 469 . 1 . 1 129 129 GLU CA C 13 56.477 0.018 . 1 . . . . . 129 Glu CA . 28005 1 470 . 1 . 1 129 129 GLU CB C 13 30.314 0.039 . 1 . . . . . 129 Glu CB . 28005 1 471 . 1 . 1 129 129 GLU N N 15 120.833 0.009 . 1 . . . . . 129 Glu N . 28005 1 472 . 1 . 1 130 130 ASN H H 1 8.568 0.001 . 1 . . . . . 130 Asn H . 28005 1 473 . 1 . 1 130 130 ASN CA C 13 51.355 0.000 . 1 . . . . . 130 Asn CA . 28005 1 474 . 1 . 1 130 130 ASN CB C 13 38.852 0.000 . 1 . . . . . 130 Asn CB . 28005 1 475 . 1 . 1 130 130 ASN N N 15 120.461 0.018 . 1 . . . . . 130 Asn N . 28005 1 476 . 1 . 1 131 131 PRO CA C 13 63.264 0.022 . 1 . . . . . 131 Pro CA . 28005 1 477 . 1 . 1 131 131 PRO CB C 13 32.174 0.039 . 1 . . . . . 131 Pro CB . 28005 1 478 . 1 . 1 132 132 THR H H 1 8.403 0.001 . 1 . . . . . 132 Thr H . 28005 1 479 . 1 . 1 132 132 THR CA C 13 62.161 0.003 . 1 . . . . . 132 Thr CA . 28005 1 480 . 1 . 1 132 132 THR CB C 13 69.739 0.013 . 1 . . . . . 132 Thr CB . 28005 1 481 . 1 . 1 132 132 THR N N 15 115.208 0.020 . 1 . . . . . 132 Thr N . 28005 1 482 . 1 . 1 133 133 GLU H H 1 8.481 0.001 . 1 . . . . . 133 Glu H . 28005 1 483 . 1 . 1 133 133 GLU CA C 13 56.381 0.028 . 1 . . . . . 133 Glu CA . 28005 1 484 . 1 . 1 133 133 GLU CB C 13 30.276 0.039 . 1 . . . . . 133 Glu CB . 28005 1 485 . 1 . 1 133 133 GLU N N 15 123.773 0.014 . 1 . . . . . 133 Glu N . 28005 1 486 . 1 . 1 134 134 MET H H 1 8.580 0.002 . 1 . . . . . 134 Met H . 28005 1 487 . 1 . 1 134 134 MET CA C 13 55.269 0.010 . 1 . . . . . 134 Met CA . 28005 1 488 . 1 . 1 134 134 MET CB C 13 32.831 0.028 . 1 . . . . . 134 Met CB . 28005 1 489 . 1 . 1 134 134 MET N N 15 122.566 0.041 . 1 . . . . . 134 Met N . 28005 1 490 . 1 . 1 135 135 THR H H 1 8.351 0.001 . 1 . . . . . 135 Thr H . 28005 1 491 . 1 . 1 135 135 THR CA C 13 61.791 0.008 . 1 . . . . . 135 Thr CA . 28005 1 492 . 1 . 1 135 135 THR CB C 13 69.887 0.011 . 1 . . . . . 135 Thr CB . 28005 1 493 . 1 . 1 135 135 THR N N 15 116.672 0.015 . 1 . . . . . 135 Thr N . 28005 1 494 . 1 . 1 136 136 GLU H H 1 8.590 0.001 . 1 . . . . . 136 Glu H . 28005 1 495 . 1 . 1 136 136 GLU CA C 13 56.470 0.058 . 1 . . . . . 136 Glu CA . 28005 1 496 . 1 . 1 136 136 GLU CB C 13 30.461 0.023 . 1 . . . . . 136 Glu CB . 28005 1 497 . 1 . 1 136 136 GLU N N 15 123.711 0.015 . 1 . . . . . 136 Glu N . 28005 1 498 . 1 . 1 137 137 GLU H H 1 8.612 0.001 . 1 . . . . . 137 Glu H . 28005 1 499 . 1 . 1 137 137 GLU CA C 13 56.427 0.042 . 1 . . . . . 137 Glu CA . 28005 1 500 . 1 . 1 137 137 GLU CB C 13 30.192 0.035 . 1 . . . . . 137 Glu CB . 28005 1 501 . 1 . 1 137 137 GLU N N 15 123.043 0.013 . 1 . . . . . 137 Glu N . 28005 1 502 . 1 . 1 138 138 VAL H H 1 8.396 0.002 . 1 . . . . . 138 Val H . 28005 1 503 . 1 . 1 138 138 VAL CA C 13 62.153 0.003 . 1 . . . . . 138 Val CA . 28005 1 504 . 1 . 1 138 138 VAL CB C 13 32.936 0.017 . 1 . . . . . 138 Val CB . 28005 1 505 . 1 . 1 138 138 VAL N N 15 122.459 0.004 . 1 . . . . . 138 Val N . 28005 1 506 . 1 . 1 139 139 GLU H H 1 8.646 0.000 . 1 . . . . . 139 Glu H . 28005 1 507 . 1 . 1 139 139 GLU CA C 13 56.620 0.006 . 1 . . . . . 139 Glu CA . 28005 1 508 . 1 . 1 139 139 GLU CB C 13 30.334 0.013 . 1 . . . . . 139 Glu CB . 28005 1 509 . 1 . 1 139 139 GLU N N 15 125.750 0.011 . 1 . . . . . 139 Glu N . 28005 1 510 . 1 . 1 140 140 GLU H H 1 8.635 0.002 . 1 . . . . . 140 Glu H . 28005 1 511 . 1 . 1 140 140 GLU CA C 13 56.750 0.026 . 1 . . . . . 140 Glu CA . 28005 1 512 . 1 . 1 140 140 GLU CB C 13 30.187 0.066 . 1 . . . . . 140 Glu CB . 28005 1 513 . 1 . 1 140 140 GLU N N 15 123.035 0.009 . 1 . . . . . 140 Glu N . 28005 1 514 . 1 . 1 141 141 GLU H H 1 8.602 0.001 . 1 . . . . . 141 Glu H . 28005 1 515 . 1 . 1 141 141 GLU CA C 13 56.981 0.024 . 1 . . . . . 141 Glu CA . 28005 1 516 . 1 . 1 141 141 GLU CB C 13 30.071 0.036 . 1 . . . . . 141 Glu CB . 28005 1 517 . 1 . 1 141 141 GLU N N 15 122.736 0.012 . 1 . . . . . 141 Glu N . 28005 1 518 . 1 . 1 142 142 GLN H H 1 8.594 0.000 . 1 . . . . . 142 Gln H . 28005 1 519 . 1 . 1 142 142 GLN CA C 13 56.082 0.003 . 1 . . . . . 142 Gln CA . 28005 1 520 . 1 . 1 142 142 GLN CB C 13 29.344 0.022 . 1 . . . . . 142 Gln CB . 28005 1 521 . 1 . 1 142 142 GLN N N 15 121.527 0.005 . 1 . . . . . 142 Gln N . 28005 1 522 . 1 . 1 143 143 ASN H H 1 8.635 0.001 . 1 . . . . . 143 Asn H . 28005 1 523 . 1 . 1 143 143 ASN CA C 13 53.370 0.006 . 1 . . . . . 143 Asn CA . 28005 1 524 . 1 . 1 143 143 ASN CB C 13 38.541 0.015 . 1 . . . . . 143 Asn CB . 28005 1 525 . 1 . 1 143 143 ASN N N 15 119.945 0.009 . 1 . . . . . 143 Asn N . 28005 1 526 . 1 . 1 144 144 LEU H H 1 8.397 0.001 . 1 . . . . . 144 Leu H . 28005 1 527 . 1 . 1 144 144 LEU CA C 13 55.625 0.035 . 1 . . . . . 144 Leu CA . 28005 1 528 . 1 . 1 144 144 LEU CB C 13 41.974 0.020 . 1 . . . . . 144 Leu CB . 28005 1 529 . 1 . 1 144 144 LEU N N 15 122.839 0.007 . 1 . . . . . 144 Leu N . 28005 1 530 . 1 . 1 145 145 SER H H 1 8.433 0.001 . 1 . . . . . 145 Ser H . 28005 1 531 . 1 . 1 145 145 SER CA C 13 58.784 0.054 . 1 . . . . . 145 Ser CA . 28005 1 532 . 1 . 1 145 145 SER CB C 13 63.469 0.023 . 1 . . . . . 145 Ser CB . 28005 1 533 . 1 . 1 145 145 SER N N 15 116.447 0.004 . 1 . . . . . 145 Ser N . 28005 1 534 . 1 . 1 146 146 ARG H H 1 8.308 0.001 . 1 . . . . . 146 Arg H . 28005 1 535 . 1 . 1 146 146 ARG CA C 13 56.501 0.022 . 1 . . . . . 146 Arg CA . 28005 1 536 . 1 . 1 146 146 ARG CB C 13 30.455 0.018 . 1 . . . . . 146 Arg CB . 28005 1 537 . 1 . 1 146 146 ARG N N 15 122.869 0.010 . 1 . . . . . 146 Arg N . 28005 1 538 . 1 . 1 147 147 LEU H H 1 8.272 0.001 . 1 . . . . . 147 Leu H . 28005 1 539 . 1 . 1 147 147 LEU CA C 13 55.680 0.029 . 1 . . . . . 147 Leu CA . 28005 1 540 . 1 . 1 147 147 LEU CB C 13 42.019 0.046 . 1 . . . . . 147 Leu CB . 28005 1 541 . 1 . 1 147 147 LEU N N 15 122.425 0.013 . 1 . . . . . 147 Leu N . 28005 1 542 . 1 . 1 148 148 ASP H H 1 8.370 0.001 . 1 . . . . . 148 Asp H . 28005 1 543 . 1 . 1 148 148 ASP CA C 13 54.733 0.003 . 1 . . . . . 148 Asp CA . 28005 1 544 . 1 . 1 148 148 ASP CB C 13 40.804 0.020 . 1 . . . . . 148 Asp CB . 28005 1 545 . 1 . 1 148 148 ASP N N 15 120.499 0.009 . 1 . . . . . 148 Asp N . 28005 1 546 . 1 . 1 149 149 GLN H H 1 8.286 0.001 . 1 . . . . . 149 Gln H . 28005 1 547 . 1 . 1 149 149 GLN CA C 13 56.212 0.029 . 1 . . . . . 149 Gln CA . 28005 1 548 . 1 . 1 149 149 GLN CB C 13 29.413 0.043 . 1 . . . . . 149 Gln CB . 28005 1 549 . 1 . 1 149 149 GLN N N 15 120.280 0.010 . 1 . . . . . 149 Gln N . 28005 1 550 . 1 . 1 150 150 GLU H H 1 8.506 0.001 . 1 . . . . . 150 Glu H . 28005 1 551 . 1 . 1 150 150 GLU CA C 13 57.147 0.032 . 1 . . . . . 150 Glu CA . 28005 1 552 . 1 . 1 150 150 GLU CB C 13 29.956 0.033 . 1 . . . . . 150 Glu CB . 28005 1 553 . 1 . 1 150 150 GLU N N 15 121.747 0.000 . 1 . . . . . 150 Glu N . 28005 1 554 . 1 . 1 151 151 ASP H H 1 8.491 0.001 . 1 . . . . . 151 Asp H . 28005 1 555 . 1 . 1 151 151 ASP CA C 13 54.835 0.028 . 1 . . . . . 151 Asp CA . 28005 1 556 . 1 . 1 151 151 ASP CB C 13 41.082 0.018 . 1 . . . . . 151 Asp CB . 28005 1 557 . 1 . 1 151 151 ASP N N 15 121.598 0.001 . 1 . . . . . 151 Asp N . 28005 1 558 . 1 . 1 152 152 SER H H 1 8.413 0.002 . 1 . . . . . 152 Ser H . 28005 1 559 . 1 . 1 152 152 SER CA C 13 59.882 0.033 . 1 . . . . . 152 Ser CA . 28005 1 560 . 1 . 1 152 152 SER CB C 13 63.387 0.011 . 1 . . . . . 152 Ser CB . 28005 1 561 . 1 . 1 152 152 SER N N 15 116.958 0.016 . 1 . . . . . 152 Ser N . 28005 1 562 . 1 . 1 153 153 GLU H H 1 8.444 0.002 . 1 . . . . . 153 Glu H . 28005 1 563 . 1 . 1 153 153 GLU CA C 13 57.323 0.036 . 1 . . . . . 153 Glu CA . 28005 1 564 . 1 . 1 153 153 GLU CB C 13 29.687 0.014 . 1 . . . . . 153 Glu CB . 28005 1 565 . 1 . 1 153 153 GLU N N 15 122.325 0.012 . 1 . . . . . 153 Glu N . 28005 1 566 . 1 . 1 154 154 LYS H H 1 8.134 0.002 . 1 . . . . . 154 Lys H . 28005 1 567 . 1 . 1 154 154 LYS CA C 13 57.144 0.040 . 1 . . . . . 154 Lys CA . 28005 1 568 . 1 . 1 154 154 LYS CB C 13 32.539 0.008 . 1 . . . . . 154 Lys CB . 28005 1 569 . 1 . 1 154 154 LYS N N 15 121.122 0.016 . 1 . . . . . 154 Lys N . 28005 1 570 . 1 . 1 155 155 LYS H H 1 8.229 0.002 . 1 . . . . . 155 Lys H . 28005 1 571 . 1 . 1 155 155 LYS CA C 13 56.841 0.015 . 1 . . . . . 155 Lys CA . 28005 1 572 . 1 . 1 155 155 LYS CB C 13 32.851 0.006 . 1 . . . . . 155 Lys CB . 28005 1 573 . 1 . 1 155 155 LYS N N 15 121.147 0.020 . 1 . . . . . 155 Lys N . 28005 1 574 . 1 . 1 156 156 SER H H 1 8.303 0.002 . 1 . . . . . 156 Ser H . 28005 1 575 . 1 . 1 156 156 SER CA C 13 58.628 0.024 . 1 . . . . . 156 Ser CA . 28005 1 576 . 1 . 1 156 156 SER CB C 13 63.646 0.045 . 1 . . . . . 156 Ser CB . 28005 1 577 . 1 . 1 156 156 SER N N 15 116.389 0.012 . 1 . . . . . 156 Ser N . 28005 1 578 . 1 . 1 157 157 LYS H H 1 8.378 0.003 . 1 . . . . . 157 Lys H . 28005 1 579 . 1 . 1 157 157 LYS CA C 13 56.441 0.001 . 1 . . . . . 157 Lys CA . 28005 1 580 . 1 . 1 157 157 LYS CB C 13 32.671 0.002 . 1 . . . . . 157 Lys CB . 28005 1 581 . 1 . 1 157 157 LYS N N 15 123.323 0.010 . 1 . . . . . 157 Lys N . 28005 1 582 . 1 . 1 158 158 LYS H H 1 8.311 0.001 . 1 . . . . . 158 Lys H . 28005 1 583 . 1 . 1 158 158 LYS CA C 13 56.774 0.034 . 1 . . . . . 158 Lys CA . 28005 1 584 . 1 . 1 158 158 LYS CB C 13 32.927 0.024 . 1 . . . . . 158 Lys CB . 28005 1 585 . 1 . 1 158 158 LYS N N 15 122.253 0.001 . 1 . . . . . 158 Lys N . 28005 1 586 . 1 . 1 159 159 GLY H H 1 8.506 0.002 . 1 . . . . . 159 Gly H . 28005 1 587 . 1 . 1 159 159 GLY CA C 13 45.179 0.005 . 1 . . . . . 159 Gly CA . 28005 1 588 . 1 . 1 159 159 GLY N N 15 110.058 0.015 . 1 . . . . . 159 Gly N . 28005 1 589 . 1 . 1 160 160 LEU H H 1 8.187 0.001 . 1 . . . . . 160 Leu H . 28005 1 590 . 1 . 1 160 160 LEU CA C 13 55.358 0.026 . 1 . . . . . 160 Leu CA . 28005 1 591 . 1 . 1 160 160 LEU CB C 13 42.295 0.022 . 1 . . . . . 160 Leu CB . 28005 1 592 . 1 . 1 160 160 LEU N N 15 121.615 0.011 . 1 . . . . . 160 Leu N . 28005 1 593 . 1 . 1 161 161 GLN H H 1 8.510 0.001 . 1 . . . . . 161 Gln H . 28005 1 594 . 1 . 1 161 161 GLN CA C 13 55.820 0.000 . 1 . . . . . 161 Gln CA . 28005 1 595 . 1 . 1 161 161 GLN CB C 13 29.147 0.000 . 1 . . . . . 161 Gln CB . 28005 1 596 . 1 . 1 161 161 GLN N N 15 121.012 0.015 . 1 . . . . . 161 Gln N . 28005 1 597 . 1 . 1 163 163 GLU CA C 13 56.872 0.011 . 1 . . . . . 163 Glu CA . 28005 1 598 . 1 . 1 163 163 GLU CB C 13 30.287 0.038 . 1 . . . . . 163 Glu CB . 28005 1 599 . 1 . 1 164 164 ASN H H 1 8.518 0.001 . 1 . . . . . 164 Asn H . 28005 1 600 . 1 . 1 164 164 ASN CA C 13 53.184 0.024 . 1 . . . . . 164 Asn CA . 28005 1 601 . 1 . 1 164 164 ASN CB C 13 38.617 0.010 . 1 . . . . . 164 Asn CB . 28005 1 602 . 1 . 1 164 164 ASN N N 15 119.249 0.013 . 1 . . . . . 164 Asn N . 28005 1 603 . 1 . 1 165 165 LEU H H 1 8.156 0.000 . 1 . . . . . 165 Leu H . 28005 1 604 . 1 . 1 165 165 LEU CA C 13 55.230 0.004 . 1 . . . . . 165 Leu CA . 28005 1 605 . 1 . 1 165 165 LEU CB C 13 42.217 0.026 . 1 . . . . . 165 Leu CB . 28005 1 606 . 1 . 1 165 165 LEU N N 15 122.151 0.015 . 1 . . . . . 165 Leu N . 28005 1 607 . 1 . 1 166 166 TYR H H 1 8.075 0.001 . 1 . . . . . 166 Tyr H . 28005 1 608 . 1 . 1 166 166 TYR CA C 13 57.618 0.023 . 1 . . . . . 166 Tyr CA . 28005 1 609 . 1 . 1 166 166 TYR CB C 13 38.704 0.020 . 1 . . . . . 166 Tyr CB . 28005 1 610 . 1 . 1 166 166 TYR N N 15 119.734 0.013 . 1 . . . . . 166 Tyr N . 28005 1 611 . 1 . 1 167 167 PHE H H 1 8.093 0.002 . 1 . . . . . 167 Phe H . 28005 1 612 . 1 . 1 167 167 PHE CA C 13 57.536 0.020 . 1 . . . . . 167 Phe CA . 28005 1 613 . 1 . 1 167 167 PHE CB C 13 39.573 0.017 . 1 . . . . . 167 Phe CB . 28005 1 614 . 1 . 1 167 167 PHE N N 15 121.625 0.027 . 1 . . . . . 167 Phe N . 28005 1 615 . 1 . 1 168 168 GLN H H 1 7.847 0.001 . 1 . . . . . 168 Gln H . 28005 1 616 . 1 . 1 168 168 GLN CA C 13 57.292 0.000 . 1 . . . . . 168 Gln CA . 28005 1 617 . 1 . 1 168 168 GLN CB C 13 30.440 0.000 . 1 . . . . . 168 Gln CB . 28005 1 618 . 1 . 1 168 168 GLN N N 15 126.248 0.009 . 1 . . . . . 168 Gln N . 28005 1 stop_ save_