data_25566 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25566 _Entry.Title ; Backbone chemical shift assignments for oxidized peroxiredoxin Q from the plant pathogen Xanthomonas campestris ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-08 _Entry.Accession_date 2015-04-08 _Entry.Last_release_date 2015-05-08 _Entry.Original_release_date 2015-05-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Garry Buchko . W. . . 25566 2 Arden Perkins . . . . 25566 3 P. Karplus . Andrew . . 25566 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25566 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 189 25566 '15N chemical shifts' 69 25566 '1H chemical shifts' 69 25566 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 2 . . 2016-08-25 2015-04-08 update BMRB 'update entry citation' 25566 1 . . 2015-05-08 2015-04-08 original author 'original release' 25566 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25557 'Same protein but in the oxidized state.' 25566 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25566 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26438558 _Citation.Full_citation . _Citation.Title ; Backbone chemical shift assignments for Xanthomonas campestris peroxiredoxin Q in the reduced and oxidized states: a dramatic change in backbone dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 57 _Citation.Page_last 61 _Citation.Year 2016 _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 Garry Buchko . W. . . 25566 1 2 Arden Perkins . . . . 25566 1 3 Derek Parsonage . . . . 25566 1 4 Leslie Poole . B. . . 25566 1 5 P. Karplus . Andrew . . 25566 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'atypical 2-Cys' 25566 1 'peroxide oxidoreduction' 25566 1 'plant disease' 25566 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25566 _Assembly.ID 1 _Assembly.Name PrxQ _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 PrxQ 1 $PrxQ A . yes native no no . . . 25566 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . 25566 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PrxQ _Entity.Sf_category entity _Entity.Sf_framecode PrxQ _Entity.Entry_ID 25566 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PrxQ _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 ; MTDAVLELPAATFDLPLSLS GGTQTTLRAHAGHWLVIYFY PKDSTPGCTTEGLDFNALLP EFDKAGAKILGVSRDSVKSH DNFCAKQGFAFPLVSDGDEA LCRAFDVIKEKNMYGKQVLG IERSTFLLSPEGQVVQAWRK VKVAGHADAVLAALKAHAKQ ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 1 MET . 25566 1 2 2 THR . 25566 1 3 3 ASP . 25566 1 4 4 ALA . 25566 1 5 5 VAL . 25566 1 6 6 LEU . 25566 1 7 7 GLU . 25566 1 8 8 LEU . 25566 1 9 9 PRO . 25566 1 10 10 ALA . 25566 1 11 11 ALA . 25566 1 12 12 THR . 25566 1 13 13 PHE . 25566 1 14 14 ASP . 25566 1 15 15 LEU . 25566 1 16 16 PRO . 25566 1 17 17 LEU . 25566 1 18 18 SER . 25566 1 19 19 LEU . 25566 1 20 20 SER . 25566 1 21 21 GLY . 25566 1 22 22 GLY . 25566 1 23 23 THR . 25566 1 24 24 GLN . 25566 1 25 25 THR . 25566 1 26 26 THR . 25566 1 27 27 LEU . 25566 1 28 28 ARG . 25566 1 29 29 ALA . 25566 1 30 30 HIS . 25566 1 31 31 ALA . 25566 1 32 32 GLY . 25566 1 33 33 HIS . 25566 1 34 34 TRP . 25566 1 35 35 LEU . 25566 1 36 36 VAL . 25566 1 37 37 ILE . 25566 1 38 38 TYR . 25566 1 39 39 PHE . 25566 1 40 40 TYR . 25566 1 41 41 PRO . 25566 1 42 42 LYS . 25566 1 43 43 ASP . 25566 1 44 44 SER . 25566 1 45 45 THR . 25566 1 46 46 PRO . 25566 1 47 47 GLY . 25566 1 48 48 CYS . 25566 1 49 49 THR . 25566 1 50 50 THR . 25566 1 51 51 GLU . 25566 1 52 52 GLY . 25566 1 53 53 LEU . 25566 1 54 54 ASP . 25566 1 55 55 PHE . 25566 1 56 56 ASN . 25566 1 57 57 ALA . 25566 1 58 58 LEU . 25566 1 59 59 LEU . 25566 1 60 60 PRO . 25566 1 61 61 GLU . 25566 1 62 62 PHE . 25566 1 63 63 ASP . 25566 1 64 64 LYS . 25566 1 65 65 ALA . 25566 1 66 66 GLY . 25566 1 67 67 ALA . 25566 1 68 68 LYS . 25566 1 69 69 ILE . 25566 1 70 70 LEU . 25566 1 71 71 GLY . 25566 1 72 72 VAL . 25566 1 73 73 SER . 25566 1 74 74 ARG . 25566 1 75 75 ASP . 25566 1 76 76 SER . 25566 1 77 77 VAL . 25566 1 78 78 LYS . 25566 1 79 79 SER . 25566 1 80 80 HIS . 25566 1 81 81 ASP . 25566 1 82 82 ASN . 25566 1 83 83 PHE . 25566 1 84 84 CYS . 25566 1 85 85 ALA . 25566 1 86 86 LYS . 25566 1 87 87 GLN . 25566 1 88 88 GLY . 25566 1 89 89 PHE . 25566 1 90 90 ALA . 25566 1 91 91 PHE . 25566 1 92 92 PRO . 25566 1 93 93 LEU . 25566 1 94 94 VAL . 25566 1 95 95 SER . 25566 1 96 96 ASP . 25566 1 97 97 GLY . 25566 1 98 98 ASP . 25566 1 99 99 GLU . 25566 1 100 100 ALA . 25566 1 101 101 LEU . 25566 1 102 102 CYS . 25566 1 103 103 ARG . 25566 1 104 104 ALA . 25566 1 105 105 PHE . 25566 1 106 106 ASP . 25566 1 107 107 VAL . 25566 1 108 108 ILE . 25566 1 109 109 LYS . 25566 1 110 110 GLU . 25566 1 111 111 LYS . 25566 1 112 112 ASN . 25566 1 113 113 MET . 25566 1 114 114 TYR . 25566 1 115 115 GLY . 25566 1 116 116 LYS . 25566 1 117 117 GLN . 25566 1 118 118 VAL . 25566 1 119 119 LEU . 25566 1 120 120 GLY . 25566 1 121 121 ILE . 25566 1 122 122 GLU . 25566 1 123 123 ARG . 25566 1 124 124 SER . 25566 1 125 125 THR . 25566 1 126 126 PHE . 25566 1 127 127 LEU . 25566 1 128 128 LEU . 25566 1 129 129 SER . 25566 1 130 130 PRO . 25566 1 131 131 GLU . 25566 1 132 132 GLY . 25566 1 133 133 GLN . 25566 1 134 134 VAL . 25566 1 135 135 VAL . 25566 1 136 136 GLN . 25566 1 137 137 ALA . 25566 1 138 138 TRP . 25566 1 139 139 ARG . 25566 1 140 140 LYS . 25566 1 141 141 VAL . 25566 1 142 142 LYS . 25566 1 143 143 VAL . 25566 1 144 144 ALA . 25566 1 145 145 GLY . 25566 1 146 146 HIS . 25566 1 147 147 ALA . 25566 1 148 148 ASP . 25566 1 149 149 ALA . 25566 1 150 150 VAL . 25566 1 151 151 LEU . 25566 1 152 152 ALA . 25566 1 153 153 ALA . 25566 1 154 154 LEU . 25566 1 155 155 LYS . 25566 1 156 156 ALA . 25566 1 157 157 HIS . 25566 1 158 158 ALA . 25566 1 159 159 LYS . 25566 1 160 160 GLN . 25566 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 25566 1 . THR 2 2 25566 1 . ASP 3 3 25566 1 . ALA 4 4 25566 1 . VAL 5 5 25566 1 . LEU 6 6 25566 1 . GLU 7 7 25566 1 . LEU 8 8 25566 1 . PRO 9 9 25566 1 . ALA 10 10 25566 1 . ALA 11 11 25566 1 . THR 12 12 25566 1 . PHE 13 13 25566 1 . ASP 14 14 25566 1 . LEU 15 15 25566 1 . PRO 16 16 25566 1 . LEU 17 17 25566 1 . SER 18 18 25566 1 . LEU 19 19 25566 1 . SER 20 20 25566 1 . GLY 21 21 25566 1 . GLY 22 22 25566 1 . THR 23 23 25566 1 . GLN 24 24 25566 1 . THR 25 25 25566 1 . THR 26 26 25566 1 . LEU 27 27 25566 1 . ARG 28 28 25566 1 . ALA 29 29 25566 1 . HIS 30 30 25566 1 . ALA 31 31 25566 1 . GLY 32 32 25566 1 . HIS 33 33 25566 1 . TRP 34 34 25566 1 . LEU 35 35 25566 1 . VAL 36 36 25566 1 . ILE 37 37 25566 1 . TYR 38 38 25566 1 . PHE 39 39 25566 1 . TYR 40 40 25566 1 . PRO 41 41 25566 1 . LYS 42 42 25566 1 . ASP 43 43 25566 1 . SER 44 44 25566 1 . THR 45 45 25566 1 . PRO 46 46 25566 1 . GLY 47 47 25566 1 . CYS 48 48 25566 1 . THR 49 49 25566 1 . THR 50 50 25566 1 . GLU 51 51 25566 1 . GLY 52 52 25566 1 . LEU 53 53 25566 1 . ASP 54 54 25566 1 . PHE 55 55 25566 1 . ASN 56 56 25566 1 . ALA 57 57 25566 1 . LEU 58 58 25566 1 . LEU 59 59 25566 1 . PRO 60 60 25566 1 . GLU 61 61 25566 1 . PHE 62 62 25566 1 . ASP 63 63 25566 1 . LYS 64 64 25566 1 . ALA 65 65 25566 1 . GLY 66 66 25566 1 . ALA 67 67 25566 1 . LYS 68 68 25566 1 . ILE 69 69 25566 1 . LEU 70 70 25566 1 . GLY 71 71 25566 1 . VAL 72 72 25566 1 . SER 73 73 25566 1 . ARG 74 74 25566 1 . ASP 75 75 25566 1 . SER 76 76 25566 1 . VAL 77 77 25566 1 . LYS 78 78 25566 1 . SER 79 79 25566 1 . HIS 80 80 25566 1 . ASP 81 81 25566 1 . ASN 82 82 25566 1 . PHE 83 83 25566 1 . CYS 84 84 25566 1 . ALA 85 85 25566 1 . LYS 86 86 25566 1 . GLN 87 87 25566 1 . GLY 88 88 25566 1 . PHE 89 89 25566 1 . ALA 90 90 25566 1 . PHE 91 91 25566 1 . PRO 92 92 25566 1 . LEU 93 93 25566 1 . VAL 94 94 25566 1 . SER 95 95 25566 1 . ASP 96 96 25566 1 . GLY 97 97 25566 1 . ASP 98 98 25566 1 . GLU 99 99 25566 1 . ALA 100 100 25566 1 . LEU 101 101 25566 1 . CYS 102 102 25566 1 . ARG 103 103 25566 1 . ALA 104 104 25566 1 . PHE 105 105 25566 1 . ASP 106 106 25566 1 . VAL 107 107 25566 1 . ILE 108 108 25566 1 . LYS 109 109 25566 1 . GLU 110 110 25566 1 . LYS 111 111 25566 1 . ASN 112 112 25566 1 . MET 113 113 25566 1 . TYR 114 114 25566 1 . GLY 115 115 25566 1 . LYS 116 116 25566 1 . GLN 117 117 25566 1 . VAL 118 118 25566 1 . LEU 119 119 25566 1 . GLY 120 120 25566 1 . ILE 121 121 25566 1 . GLU 122 122 25566 1 . ARG 123 123 25566 1 . SER 124 124 25566 1 . THR 125 125 25566 1 . PHE 126 126 25566 1 . LEU 127 127 25566 1 . LEU 128 128 25566 1 . SER 129 129 25566 1 . PRO 130 130 25566 1 . GLU 131 131 25566 1 . GLY 132 132 25566 1 . GLN 133 133 25566 1 . VAL 134 134 25566 1 . VAL 135 135 25566 1 . GLN 136 136 25566 1 . ALA 137 137 25566 1 . TRP 138 138 25566 1 . ARG 139 139 25566 1 . LYS 140 140 25566 1 . VAL 141 141 25566 1 . LYS 142 142 25566 1 . VAL 143 143 25566 1 . ALA 144 144 25566 1 . GLY 145 145 25566 1 . HIS 146 146 25566 1 . ALA 147 147 25566 1 . ASP 148 148 25566 1 . ALA 149 149 25566 1 . VAL 150 150 25566 1 . LEU 151 151 25566 1 . ALA 152 152 25566 1 . ALA 153 153 25566 1 . LEU 154 154 25566 1 . LYS 155 155 25566 1 . ALA 156 156 25566 1 . HIS 157 157 25566 1 . ALA 158 158 25566 1 . LYS 159 159 25566 1 . GLN 160 160 25566 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 25566 _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 $PrxQ . 339 organism . 'Xanthomonas campestris' g-proteobacteria . . Bacteria . Xanthomonas campestris 17 . . . . . . . . . . . . 25566 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 25566 _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 $PrxQ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pTHC . . . 25566 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25566 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 PrxQ '[U-99% 13C; U-99% 15N]' . . 1 $PrxQ . . 1.0 . . mM 0.2 . . . 25566 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 4 . . . 25566 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 25566 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25566 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25566 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 25566 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.120 0.005 M 25566 1 pH 7 0.2 pH 25566 1 pressure 1 . atm 25566 1 temperature 293 0.5 K 25566 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25566 _Software.ID 1 _Software.Name Felix _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25566 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25566 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25566 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25566 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25566 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 25566 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25566 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25566 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25566 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent VNMRS . 750 . . . 25566 1 2 spectrometer_2 Agilent VNMRS . 600 . . . 25566 1 3 spectrometer_3 Agilent VNMRS . 500 . . . 25566 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 25566 _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 . . . . . . . . . . . . . . . . 25566 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25566 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25566 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25566 1 5 HNN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25566 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 25566 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 25566 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25566 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25566 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 25566 _Assigned_chem_shift_list.ID 1 _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' . . . 25566 1 2 '3D HNCO' . . . 25566 1 3 '3D HNCA' . . . 25566 1 4 '3D HNCACB' . . . 25566 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 2 $SPARKY . . 25566 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 177.4 0.2 . 1 . . . . 1 MET C . 25566 1 2 . 1 1 2 2 THR H H 1 8.26 0.02 . 1 . . . . 2 THR H . 25566 1 3 . 1 1 2 2 THR C C 13 174.6 0.2 . 1 . . . . 2 THR C . 25566 1 4 . 1 1 2 2 THR CA C 13 62 0.2 . 1 . . . . 2 THR CA . 25566 1 5 . 1 1 2 2 THR CB C 13 69.7 0.2 . 1 . . . . 2 THR CB . 25566 1 6 . 1 1 2 2 THR N N 15 119.3 0.2 . 1 . . . . 2 THR N . 25566 1 7 . 1 1 3 3 ASP H H 1 8.44 0.02 . 1 . . . . 3 ASP H . 25566 1 8 . 1 1 3 3 ASP C C 13 175.5 0.2 . 1 . . . . 3 ASP C . 25566 1 9 . 1 1 3 3 ASP CA C 13 54.5 0.2 . 1 . . . . 3 ASP CA . 25566 1 10 . 1 1 3 3 ASP CB C 13 41.3 0.2 . 1 . . . . 3 ASP CB . 25566 1 11 . 1 1 3 3 ASP N N 15 122.4 0.2 . 1 . . . . 3 ASP N . 25566 1 12 . 1 1 4 4 ALA H H 1 8.49 0.02 . 1 . . . . 4 ALA H . 25566 1 13 . 1 1 4 4 ALA CA C 13 52.7 0.2 . 1 . . . . 4 ALA HA . 25566 1 14 . 1 1 4 4 ALA CB C 13 19.7 0.2 . 1 . . . . 4 ALA CB . 25566 1 15 . 1 1 4 4 ALA C C 13 178.2 0.2 . 1 . . . . 4 ALA C . 25566 1 16 . 1 1 4 4 ALA N N 15 124 0.2 . 1 . . . . 4 ALA N . 25566 1 17 . 1 1 5 5 VAL H H 1 8.52 0.02 . 1 . . . . 5 VAL H . 25566 1 18 . 1 1 5 5 VAL C C 13 175.4 0.2 . 1 . . . . 5 VAL C . 25566 1 19 . 1 1 5 5 VAL CA C 13 62.4 0.2 . 1 . . . . 5 VAL CA . 25566 1 20 . 1 1 5 5 VAL CB C 13 32.4 0.2 . 1 . . . . 5 VAL CB . 25566 1 21 . 1 1 5 5 VAL N N 15 117.3 0.2 . 1 . . . . 5 VAL N . 25566 1 22 . 1 1 6 6 LEU H H 1 7.62 0.02 . 1 . . . . 6 LEU H . 25566 1 23 . 1 1 6 6 LEU C C 13 174 0.2 . 1 . . . . 6 LEU C . 25566 1 24 . 1 1 6 6 LEU CA C 13 55.2 0.2 . 1 . . . . 6 LEU CA . 25566 1 25 . 1 1 6 6 LEU CB C 13 44.4 0.2 . 1 . . . . 6 LEU CB . 25566 1 26 . 1 1 6 6 LEU N N 15 121.5 0.2 . 1 . . . . 6 LEU N . 25566 1 27 . 1 1 7 7 GLU H H 1 8.71 0.02 . 1 . . . . 7 GLU H . 25566 1 28 . 1 1 7 7 GLU C C 13 175 0.2 . 1 . . . . 7 GLU C . 25566 1 29 . 1 1 7 7 GLU CA C 13 55.3 0.2 . 1 . . . . 7 GLU CA . 25566 1 30 . 1 1 7 7 GLU CB C 13 30.5 0.2 . 1 . . . . 7 GLU CB . 25566 1 31 . 1 1 7 7 GLU N N 15 125.6 0.2 . 1 . . . . 7 GLU N . 25566 1 32 . 1 1 8 8 LEU H H 1 8.37 0.02 . 1 . . . . 8 LEU H . 25566 1 33 . 1 1 8 8 LEU CA C 13 52 0.2 . 1 . . . . 8 LEU CA . 25566 1 34 . 1 1 8 8 LEU CB C 13 43.1 0.2 . 1 . . . . 8 LEU CB . 25566 1 35 . 1 1 8 8 LEU N N 15 125.9 0.2 . 1 . . . . 8 LEU N . 25566 1 36 . 1 1 9 9 PRO C C 13 178.5 0.2 . 1 . . . . 9 PRO C . 25566 1 37 . 1 1 9 9 PRO CA C 13 62.5 0.2 . 1 . . . . 9 PRO CA . 25566 1 38 . 1 1 9 9 PRO CB C 13 31.9 0.2 . 1 . . . . 9 PRO CB . 25566 1 39 . 1 1 10 10 ALA H H 1 9.06 0.02 . 1 . . . . 10 ALA H . 25566 1 40 . 1 1 10 10 ALA C C 13 179.8 0.2 . 1 . . . . 10 ALA C . 25566 1 41 . 1 1 10 10 ALA CA C 13 56 0.2 . 1 . . . . 10 ALA CA . 25566 1 42 . 1 1 10 10 ALA CB C 13 18.4 0.2 . 1 . . . . 10 ALA CB . 25566 1 43 . 1 1 10 10 ALA N N 15 129.5 0.2 . 1 . . . . 10 ALA N . 25566 1 44 . 1 1 11 11 ALA H H 1 8.71 0.02 . 1 . . . . 11 ALA H . 25566 1 45 . 1 1 11 11 ALA C C 13 180 0.2 . 1 . . . . 11 ALA C . 25566 1 46 . 1 1 11 11 ALA CA C 13 54.6 0.2 . 1 . . . . 11 ALA CA . 25566 1 47 . 1 1 11 11 ALA CB C 13 18.4 0.2 . 1 . . . . 11 ALA CB . 25566 1 48 . 1 1 11 11 ALA N N 15 117.2 0.2 . 1 . . . . 11 ALA N . 25566 1 49 . 1 1 12 12 THR H H 1 8.04 0.02 . 1 . . . . 12 THR H . 25566 1 50 . 1 1 12 12 THR C C 13 176 0.2 . 1 . . . . 12 THR C . 25566 1 51 . 1 1 12 12 THR CA C 13 65.7 0.2 . 1 . . . . 12 THR CA . 25566 1 52 . 1 1 12 12 THR CB C 13 68.9 0.2 . 1 . . . . 12 THR CB . 25566 1 53 . 1 1 12 12 THR N N 15 113.6 0.2 . 1 . . . . 12 THR N . 25566 1 54 . 1 1 13 13 PHE H H 1 7.67 0.02 . 1 . . . . 13 PHE H . 25566 1 55 . 1 1 13 13 PHE C C 13 173.5 0.2 . 1 . . . . 13 PHE C . 25566 1 56 . 1 1 13 13 PHE CA C 13 61.2 0.2 . 1 . . . . 13 PHE CA . 25566 1 57 . 1 1 13 13 PHE CB C 13 38.2 0.2 . 1 . . . . 13 PHE CB . 25566 1 58 . 1 1 13 13 PHE N N 15 115.8 0.2 . 1 . . . . 13 PHE N . 25566 1 59 . 1 1 14 14 ASP H H 1 7.32 0.02 . 1 . . . . 14 ASP H . 25566 1 60 . 1 1 14 14 ASP C C 13 175.2 0.2 . 1 . . . . 14 ASP C . 25566 1 61 . 1 1 14 14 ASP CA C 13 53.8 0.2 . 1 . . . . 14 ASP CA . 25566 1 62 . 1 1 14 14 ASP CB C 13 43 0.2 . 1 . . . . 14 ASP CB . 25566 1 63 . 1 1 14 14 ASP N N 15 113.5 0.2 . 1 . . . . 14 ASP N . 25566 1 64 . 1 1 15 15 LEU H H 1 6.98 0.02 . 1 . . . . 15 LEU H . 25566 1 65 . 1 1 15 15 LEU N N 15 123.7 0.2 . 1 . . . . 15 LEU N . 25566 1 66 . 1 1 19 19 LEU C C 13 179 0.2 . 1 . . . . 19 LEU C . 25566 1 67 . 1 1 20 20 SER H H 1 8.76 0.02 . 1 . . . . 20 SER H . 25566 1 68 . 1 1 20 20 SER CB C 13 62.9 0.2 . 1 . . . . 20 SER CB . 25566 1 69 . 1 1 20 20 SER N N 15 117 0.2 . 1 . . . . 20 SER N . 25566 1 70 . 1 1 21 21 GLY C C 13 175.4 0.2 . 1 . . . . 21 GLY C . 25566 1 71 . 1 1 22 22 GLY H H 1 8.21 0.02 . 1 . . . . 22 GLY H . 25566 1 72 . 1 1 22 22 GLY N N 15 107 0.2 . 1 . . . . 22 GLY N . 25566 1 73 . 1 1 25 25 THR C C 13 172 0.2 . 1 . . . . 25 THR C . 25566 1 74 . 1 1 26 26 THR H H 1 8.43 0.02 . 1 . . . . 26 THR H . 25566 1 75 . 1 1 26 26 THR CA C 13 59.7 0.2 . 1 . . . . 26 THR CA . 25566 1 76 . 1 1 26 26 THR CB C 13 73.6 0.2 . 1 . . . . 26 THR CB . 25566 1 77 . 1 1 26 26 THR N N 15 109.6 0.2 . 1 . . . . 26 THR N . 25566 1 78 . 1 1 30 30 HIS C C 13 173.1 0.2 . 1 . . . . 30 HIS C . 25566 1 79 . 1 1 31 31 ALA H H 1 7.48 0.02 . 1 . . . . 31 ALA H . 25566 1 80 . 1 1 31 31 ALA C C 13 178.6 0.2 . 1 . . . . 31 ALA C . 25566 1 81 . 1 1 31 31 ALA CA C 13 54 0.2 . 1 . . . . 31 ALA CA . 25566 1 82 . 1 1 31 31 ALA CB C 13 18.6 0.2 . 1 . . . . 31 ALA CB . 25566 1 83 . 1 1 31 31 ALA N N 15 122.8 0.2 . 1 . . . . 31 ALA N . 25566 1 84 . 1 1 32 32 GLY H H 1 8.91 0.02 . 1 . . . . 32 GLY H . 25566 1 85 . 1 1 32 32 GLY N N 15 109.5 0.2 . 1 . . . . 32 GLY N . 25566 1 86 . 1 1 34 34 TRP C C 13 175.7 0.2 . 1 . . . . 34 TRP C . 25566 1 87 . 1 1 34 34 TRP CA C 13 59 0.2 . 1 . . . . 34 TRP CA . 25566 1 88 . 1 1 35 35 LEU H H 1 9.29 0.02 . 1 . . . . 35 LEU H . 25566 1 89 . 1 1 35 35 LEU C C 13 174.3 0.2 . 1 . . . . 35 LEU C . 25566 1 90 . 1 1 35 35 LEU CA C 13 53.9 0.2 . 1 . . . . 35 LEU CA . 25566 1 91 . 1 1 35 35 LEU CB C 13 46.6 0.2 . 1 . . . . 35 LEU CB . 25566 1 92 . 1 1 35 35 LEU N N 15 124.3 0.2 . 1 . . . . 35 LEU N . 25566 1 93 . 1 1 36 36 VAL H H 1 8.96 0.02 . 1 . . . . 36 VAL H . 25566 1 94 . 1 1 36 36 VAL CA C 13 60.9 0.2 . 1 . . . . 36 VAL CA . 25566 1 95 . 1 1 36 36 VAL CB C 13 32.7 0.2 . 1 . . . . 36 VAL CB . 25566 1 96 . 1 1 36 36 VAL N N 15 127.6 0.2 . 1 . . . . 36 VAL N . 25566 1 97 . 1 1 57 57 ALA H H 1 8.18 0.02 . 1 . . . . 57 ALA H . 25566 1 98 . 1 1 57 57 ALA C C 13 179.1 0.2 . 1 . . . . 57 ALA C . 25566 1 99 . 1 1 57 57 ALA CA C 13 54.7 0.2 . 1 . . . . 57 ALA CA . 25566 1 100 . 1 1 57 57 ALA CB C 13 18.5 0.2 . 1 . . . . 57 ALA CB . 25566 1 101 . 1 1 57 57 ALA N N 15 120.3 0.2 . 1 . . . . 57 ALA N . 25566 1 102 . 1 1 58 58 LEU H H 1 7.31 0.02 . 1 . . . . 58 LEU H . 25566 1 103 . 1 1 58 58 LEU C C 13 177.5 0.2 . 1 . . . . 58 LEU C . 25566 1 104 . 1 1 58 58 LEU CA C 13 54.1 0.2 . 1 . . . . 58 LEU CA . 25566 1 105 . 1 1 58 58 LEU CB C 13 44.4 0.2 . 1 . . . . 58 LEU CB . 25566 1 106 . 1 1 58 58 LEU N N 15 115 0.2 . 1 . . . . 58 LEU N . 25566 1 107 . 1 1 59 59 LEU H H 1 7.68 0.02 . 1 . . . . 59 LEU H . 25566 1 108 . 1 1 59 59 LEU CA C 13 60.5 0.2 . 1 . . . . 59 LEU CA . 25566 1 109 . 1 1 59 59 LEU CB C 13 39.9 0.2 . 1 . . . . 59 LEU CB . 25566 1 110 . 1 1 59 59 LEU N N 15 125.1 0.2 . 1 . . . . 59 LEU N . 25566 1 111 . 1 1 60 60 PRO C C 13 180 0.2 . 1 . . . . 60 PRO C . 25566 1 112 . 1 1 60 60 PRO CA C 13 66.1 0.2 . 1 . . . . 60 PRO CA . 25566 1 113 . 1 1 61 61 GLU H H 1 7.76 0.02 . 1 . . . . 61 GLU H . 25566 1 114 . 1 1 61 61 GLU C C 13 180.1 0.2 . 1 . . . . 61 GLU C . 25566 1 115 . 1 1 61 61 GLU CA C 13 58.5 0.2 . 1 . . . . 61 GLU CA . 25566 1 116 . 1 1 61 61 GLU CB C 13 29.8 0.2 . 1 . . . . 61 GLU CB . 25566 1 117 . 1 1 61 61 GLU N N 15 115.6 0.2 . 1 . . . . 61 GLU N . 25566 1 118 . 1 1 62 62 PHE H H 1 8.18 0.02 . 1 . . . . 62 PHE H . 25566 1 119 . 1 1 62 62 PHE CB C 13 38.4 0.2 . 1 . . . . 62 PHE CB . 25566 1 120 . 1 1 62 62 PHE N N 15 120.8 0.2 . 1 . . . . 62 PHE N . 25566 1 121 . 1 1 63 63 ASP C C 13 180.7 0.2 . 1 . . . . 63 ASP C . 25566 1 122 . 1 1 64 64 LYS H H 1 7.84 0.02 . 1 . . . . 64 LYS H . 25566 1 123 . 1 1 64 64 LYS C C 13 177.6 0.2 . 1 . . . . 64 LYS C . 25566 1 124 . 1 1 64 64 LYS CA C 13 59.4 0.2 . 1 . . . . 64 LYS CA . 25566 1 125 . 1 1 64 64 LYS CB C 13 32.7 0.2 . 1 . . . . 64 LYS CB . 25566 1 126 . 1 1 64 64 LYS N N 15 120.4 0.2 . 1 . . . . 64 LYS N . 25566 1 127 . 1 1 65 65 ALA H H 1 7.36 0.02 . 1 . . . . 65 ALA H . 25566 1 128 . 1 1 65 65 ALA CA C 13 52.3 0.2 . 1 . . . . 65 ALA CA . 25566 1 129 . 1 1 65 65 ALA CB C 13 18.5 0.2 . 1 . . . . 65 ALA CB . 25566 1 130 . 1 1 65 65 ALA N N 15 119.2 0.2 . 1 . . . . 65 ALA N . 25566 1 131 . 1 1 66 66 GLY H H 1 7.95 0.02 . 1 . . . . 66 GLY H . 25566 1 132 . 1 1 66 66 GLY C C 13 174.4 0.2 . 1 . . . . 66 GLY C . 25566 1 133 . 1 1 66 66 GLY N N 15 105.5 0.2 . 1 . . . . 66 GLY N . 25566 1 134 . 1 1 67 67 ALA H H 1 8.36 0.02 . 1 . . . . 67 ALA H . 25566 1 135 . 1 1 67 67 ALA CA C 13 50.4 0.2 . 1 . . . . 67 ALA CA . 25566 1 136 . 1 1 67 67 ALA CB C 13 24.4 0.2 . 1 . . . . 67 ALA CB . 25566 1 137 . 1 1 67 67 ALA N N 15 121.5 0.2 . 1 . . . . 67 ALA N . 25566 1 138 . 1 1 68 68 LYS C C 13 173.8 0.2 . 1 . . . . 68 LYS C . 25566 1 139 . 1 1 69 69 ILE H H 1 8.1 0.02 . 1 . . . . 69 ILE H . 25566 1 140 . 1 1 69 69 ILE CA C 13 59.7 0.2 . 1 . . . . 69 ILE CA . 25566 1 141 . 1 1 69 69 ILE CB C 13 39.9 0.2 . 1 . . . . 69 ILE CB . 25566 1 142 . 1 1 69 69 ILE N N 15 119.8 0.2 . 1 . . . . 69 ILE N . 25566 1 143 . 1 1 90 90 ALA C C 13 175.5 0.2 . 1 . . . . 90 ALA C . 25566 1 144 . 1 1 90 90 ALA CA C 13 52.4 0.2 . 1 . . . . 90 ALA CA . 25566 1 145 . 1 1 90 90 ALA CB C 13 19.2 0.2 . 1 . . . . 90 ALA CB . 25566 1 146 . 1 1 91 91 PHE H H 1 6.81 0.02 . 1 . . . . 91 PHE H . 25566 1 147 . 1 1 91 91 PHE CA C 13 54 0.2 . 1 . . . . 91 PHE CA . 25566 1 148 . 1 1 91 91 PHE CB C 13 38.7 0.2 . 1 . . . . 91 PHE CB . 25566 1 149 . 1 1 91 91 PHE N N 15 116.2 0.2 . 1 . . . . 91 PHE N . 25566 1 150 . 1 1 105 105 PHE C C 13 173.9 0.2 . 1 . . . . 105 PHE C . 25566 1 151 . 1 1 105 105 PHE CA C 13 58.9 0.2 . 1 . . . . 105 PHE CA . 25566 1 152 . 1 1 106 106 ASP H H 1 7.8 0.02 . 1 . . . . 106 ASP H . 25566 1 153 . 1 1 106 106 ASP CA C 13 54.8 0.2 . 1 . . . . 106 ASP CA . 25566 1 154 . 1 1 106 106 ASP CB C 13 39.7 0.2 . 1 . . . . 106 ASP CB . 25566 1 155 . 1 1 106 106 ASP N N 15 121.4 0.2 . 1 . . . . 106 ASP N . 25566 1 156 . 1 1 107 107 VAL C C 13 175 0.2 . 1 . . . . 107 VAL C . 25566 1 157 . 1 1 108 108 ILE H H 1 7.69 0.02 . 1 . . . . 108 ILE H . 25566 1 158 . 1 1 108 108 ILE C C 13 175.7 0.2 . 1 . . . . 108 ILE C . 25566 1 159 . 1 1 108 108 ILE N N 15 121 0.2 . 1 . . . . 108 ILE N . 25566 1 160 . 1 1 109 109 LYS H H 1 8.73 0.02 . 1 . . . . 109 LYS H . 25566 1 161 . 1 1 109 109 LYS C C 13 175.3 0.2 . 1 . . . . 109 LYS C . 25566 1 162 . 1 1 109 109 LYS CA C 13 53.4 0.2 . 1 . . . . 109 LYS CA . 25566 1 163 . 1 1 109 109 LYS CB C 13 36.2 0.2 . 1 . . . . 109 LYS CB . 25566 1 164 . 1 1 109 109 LYS N N 15 127.7 0.2 . 1 . . . . 109 LYS N . 25566 1 165 . 1 1 110 110 GLU H H 1 8.62 0.02 . 1 . . . . 110 GLU H . 25566 1 166 . 1 1 110 110 GLU C C 13 176 0.2 . 1 . . . . 110 GLU C . 25566 1 167 . 1 1 110 110 GLU CA C 13 56.7 0.2 . 1 . . . . 110 GLU CA . 25566 1 168 . 1 1 110 110 GLU CB C 13 30.9 0.2 . 1 . . . . 110 GLU CB . 25566 1 169 . 1 1 110 110 GLU N N 15 121.4 0.2 . 1 . . . . 110 GLU N . 25566 1 170 . 1 1 111 111 LYS H H 1 9 0.02 . 1 . . . . 111 LYS H . 25566 1 171 . 1 1 111 111 LYS C C 13 174.1 0.2 . 1 . . . . 111 LYS C . 25566 1 172 . 1 1 111 111 LYS CA C 13 55.2 0.2 . 1 . . . . 111 LYS CA . 25566 1 173 . 1 1 111 111 LYS CB C 13 35.2 0.2 . 1 . . . . 111 LYS CB . 25566 1 174 . 1 1 111 111 LYS N N 15 124.3 0.2 . 1 . . . . 111 LYS N . 25566 1 175 . 1 1 112 112 ASN H H 1 8.54 0.02 . 1 . . . . 112 ASN H . 25566 1 176 . 1 1 112 112 ASN C C 13 175.2 0.2 . 1 . . . . 112 ASN C . 25566 1 177 . 1 1 112 112 ASN CA C 13 53 0.2 . 1 . . . . 112 ASN CA . 25566 1 178 . 1 1 112 112 ASN CB C 13 39.5 0.2 . 1 . . . . 112 ASN CB . 25566 1 179 . 1 1 112 112 ASN N N 15 120.5 0.2 . 1 . . . . 112 ASN N . 25566 1 180 . 1 1 113 113 MET H H 1 8.96 0.02 . 1 . . . . 113 MET H . 25566 1 181 . 1 1 113 113 MET CA C 13 54.8 0.2 . 1 . . . . 113 MET CA . 25566 1 182 . 1 1 113 113 MET CB C 13 33.9 0.2 . 1 . . . . 113 MET CB . 25566 1 183 . 1 1 113 113 MET N N 15 124.8 0.1 . 1 . . . . 113 MET N . 25566 1 184 . 1 1 114 114 TYR H H 1 8.88 0.02 . 1 . . . . 114 TYR H . 25566 1 185 . 1 1 114 114 TYR C C 13 175.3 2 . 1 . . . . 114 TYR C . 25566 1 186 . 1 1 114 114 TYR CA C 13 58.2 0.2 . 1 . . . . 114 TYR CA . 25566 1 187 . 1 1 114 114 TYR CB C 13 36 0.2 . 1 . . . . 114 TYR CB . 25566 1 188 . 1 1 114 114 TYR N N 15 122.5 0.2 . 1 . . . . 114 TYR N . 25566 1 189 . 1 1 115 115 GLY H H 1 8.3 0.02 . 1 . . . . 115 GLY H . 25566 1 190 . 1 1 115 115 GLY C C 13 173.9 0.2 . 1 . . . . 115 GLY C . 25566 1 191 . 1 1 115 115 GLY N N 15 105.7 0.2 . 1 . . . . 115 GLY N . 25566 1 192 . 1 1 116 116 LYS H H 1 7.76 0.02 . 1 . . . . 116 LYS H . 25566 1 193 . 1 1 116 116 LYS C C 13 174.8 0.2 . 1 . . . . 116 LYS C . 25566 1 194 . 1 1 116 116 LYS CA C 13 54.8 0.2 . 1 . . . . 116 LYS CA . 25566 1 195 . 1 1 116 116 LYS CB C 13 34.7 0.2 . 1 . . . . 116 LYS CB . 25566 1 196 . 1 1 116 116 LYS N N 15 120.6 0.2 . 1 . . . . 116 LYS N . 25566 1 197 . 1 1 117 117 GLN H H 1 8.51 0.02 . 1 . . . . 117 GLN H . 25566 1 198 . 1 1 117 117 GLN C C 13 175.9 0.2 . 1 . . . . 117 GLN C . 25566 1 199 . 1 1 117 117 GLN CB C 13 29.6 0.2 . 1 . . . . 117 GLN CB . 25566 1 200 . 1 1 117 117 GLN CA C 13 55.8 0.2 . 1 . . . . 117 GLN CA . 25566 1 201 . 1 1 117 117 GLN N N 15 121.6 0.2 . 1 . . . . 117 GLN N . 25566 1 202 . 1 1 118 118 VAL H H 1 8.96 0.02 . 1 . . . . 118 VAL H . 25566 1 203 . 1 1 118 118 VAL C C 13 174.5 0.2 . 1 . . . . 118 VAL C . 25566 1 204 . 1 1 118 118 VAL CA C 13 60.5 0.2 . 1 . . . . 118 VAL CA . 25566 1 205 . 1 1 118 118 VAL CB C 13 35.3 0.2 . 1 . . . . 118 VAL CB . 25566 1 206 . 1 1 118 118 VAL N N 15 123.6 0.2 . 1 . . . . 118 VAL N . 25566 1 207 . 1 1 119 119 LEU H H 1 8.51 0.02 . 1 . . . . 119 LEU H . 25566 1 208 . 1 1 119 119 LEU C C 13 177.4 0.2 . 1 . . . . 119 LEU C . 25566 1 209 . 1 1 119 119 LEU CA C 13 54.3 0.2 . 1 . . . . 119 LEU CA . 25566 1 210 . 1 1 119 119 LEU CB C 13 43 0.2 . 1 . . . . 119 LEU CB . 25566 1 211 . 1 1 119 119 LEU N N 15 125.2 0.2 . 1 . . . . 119 LEU N . 25566 1 212 . 1 1 120 120 GLY H H 1 8.5 0.02 . 1 . . . . 120 GLY H . 25566 1 213 . 1 1 120 120 GLY N N 15 109 0.2 . 1 . . . . 120 GLY N . 25566 1 214 . 1 1 126 126 PHE C C 13 172.8 0.2 . 1 . . . . 126 PHE C . 25566 1 215 . 1 1 126 126 PHE CA C 13 57.1 0.2 . 1 . . . . 126 PHE CA . 25566 1 216 . 1 1 127 127 LEU H H 1 8.98 0.02 . 1 . . . . 127 LEU H . 25566 1 217 . 1 1 127 127 LEU C C 13 174.1 0.2 . 1 . . . . 127 LEU C . 25566 1 218 . 1 1 127 127 LEU CA C 13 53.9 0.2 . 1 . . . . 127 LEU CA . 25566 1 219 . 1 1 127 127 LEU N N 15 122.7 0.2 . 1 . . . . 127 LEU N . 25566 1 220 . 1 1 128 128 LEU H H 1 10.27 0.02 . 1 . . . . 128 LEU H . 25566 1 221 . 1 1 128 128 LEU C C 13 175.8 0.2 . 1 . . . . 128 LEU C . 25566 1 222 . 1 1 128 128 LEU CA C 13 54.7 0.2 . 1 . . . . 128 LEU CA . 25566 1 223 . 1 1 128 128 LEU CB C 13 44.4 0.2 . 1 . . . . 128 LEU CB . 25566 1 224 . 1 1 128 128 LEU N N 15 130.5 0.2 . 1 . . . . 128 LEU N . 25566 1 225 . 1 1 129 129 SER H H 1 9.29 0.02 . 1 . . . . 129 SER H . 25566 1 226 . 1 1 129 129 SER CA C 13 55.8 0.2 . 1 . . . . 129 SER CA . 25566 1 227 . 1 1 129 129 SER CB C 13 63.2 0.2 . 1 . . . . 129 SER CB . 25566 1 228 . 1 1 129 129 SER N N 15 116.8 0.2 . 1 . . . . 129 SER N . 25566 1 229 . 1 1 130 130 PRO C C 13 177 0.2 . 1 . . . . 130 PRO C . 25566 1 230 . 1 1 130 130 PRO CA C 13 64.2 0.2 . 1 . . . . 130 PRO CA . 25566 1 231 . 1 1 130 130 PRO CB C 13 31.9 0.2 . 1 . . . . 130 PRO CB . 25566 1 232 . 1 1 131 131 GLU H H 1 7.21 0.02 . 1 . . . . 131 GLU H . 25566 1 233 . 1 1 131 131 GLU C C 13 176.2 0.2 . 1 . . . . 131 GLU C . 25566 1 234 . 1 1 131 131 GLU CA C 13 56.3 0.2 . 1 . . . . 131 GLU CA . 25566 1 235 . 1 1 131 131 GLU CB C 13 29.5 0.2 . 1 . . . . 131 GLU CB . 25566 1 236 . 1 1 131 131 GLU N N 15 112.7 0.2 . 1 . . . . 131 GLU N . 25566 1 237 . 1 1 132 132 GLY H H 1 8.39 0.02 . 1 . . . . 132 GLY H . 25566 1 238 . 1 1 132 132 GLY C C 13 172.9 0.2 . 1 . . . . 132 GLY C . 25566 1 239 . 1 1 132 132 GLY N N 15 109.5 0.2 . 1 . . . . 132 GLY N . 25566 1 240 . 1 1 133 133 GLN H H 1 7.21 0.02 . 1 . . . . 133 GLN H . 25566 1 241 . 1 1 133 133 GLN C C 13 176 0.2 . 1 . . . . 133 GLN C . 25566 1 242 . 1 1 133 133 GLN CA C 13 54.6 0.2 . 1 . . . . 133 GLN CA . 25566 1 243 . 1 1 133 133 GLN CB C 13 30.2 0.2 . 1 . . . . 133 GLN CB . 25566 1 244 . 1 1 133 133 GLN N N 15 115.6 0.2 . 1 . . . . 133 GLN N . 25566 1 245 . 1 1 134 134 VAL H H 1 9.42 0.02 . 1 . . . . 134 VAL H . 25566 1 246 . 1 1 134 134 VAL CA C 13 63.2 0.2 . 1 . . . . 134 VAL CA . 25566 1 247 . 1 1 134 134 VAL N N 15 124.7 0.2 . 1 . . . . 134 VAL N . 25566 1 248 . 1 1 135 135 VAL C C 13 175.6 0.2 . 1 . . . . 135 VAL C . 25566 1 249 . 1 1 135 135 VAL CA C 13 62.2 0.2 . 1 . . . . 135 VAL CA . 25566 1 250 . 1 1 136 136 GLN H H 1 7.75 0.02 . 1 . . . . 136 GLN H . 25566 1 251 . 1 1 136 136 GLN C C 13 171.5 0.2 . 1 . . . . 136 GLN C . 25566 1 252 . 1 1 136 136 GLN CA C 13 57.3 0.2 . 1 . . . . 136 GLN CA . 25566 1 253 . 1 1 136 136 GLN CB C 13 30 0.2 . 1 . . . . 136 GLN CB . 25566 1 254 . 1 1 136 136 GLN N N 15 119.4 0.2 . 1 . . . . 136 GLN N . 25566 1 255 . 1 1 137 137 ALA H H 1 8.32 0.02 . 1 . . . . 137 ALA H . 25566 1 256 . 1 1 137 137 ALA CA C 13 51 0.2 . 1 . . . . 137 ALA CA . 25566 1 257 . 1 1 137 137 ALA CB C 13 24.1 0.2 . 1 . . . . 137 ALA CB . 25566 1 258 . 1 1 137 137 ALA N N 15 125.9 0.2 . 1 . . . . 137 ALA N . 25566 1 259 . 1 1 138 138 TRP HE1 H 1 10.35 0.2 . 1 . . . . 138 TRP HE1 . 25566 1 260 . 1 1 138 138 TRP NE1 N 15 129.7 0.2 . 1 . . . . 138 TRP NE1 . 25566 1 261 . 1 1 140 140 LYS C C 13 177.3 0.2 . 1 . . . . 140 LYS C . 25566 1 262 . 1 1 141 141 VAL H H 1 7.59 0.02 . 1 . . . . 141 VAL H . 25566 1 263 . 1 1 141 141 VAL CB C 13 31.9 0.2 . 1 . . . . 141 VAL CB . 25566 1 264 . 1 1 141 141 VAL N N 15 118.4 0.2 . 1 . . . . 141 VAL N . 25566 1 265 . 1 1 146 146 HIS C C 13 175.8 0.2 . 1 . . . . 146 HIS C . 25566 1 266 . 1 1 146 146 HIS CA C 13 59.5 0.2 . 1 . . . . 146 HIS CA . 25566 1 267 . 1 1 147 147 ALA H H 1 8.25 0.02 . 1 . . . . 147 ALA H . 25566 1 268 . 1 1 147 147 ALA C C 13 178.7 0.2 . 1 . . . . 147 ALA C . 25566 1 269 . 1 1 147 147 ALA CA C 13 56.1 0.2 . 1 . . . . 147 ALA CA . 25566 1 270 . 1 1 147 147 ALA CB C 13 18.2 0.2 . 1 . . . . 147 ALA CB . 25566 1 271 . 1 1 147 147 ALA N N 15 120.7 0.2 . 1 . . . . 147 ALA N . 25566 1 272 . 1 1 148 148 ASP H H 1 7.79 0.02 . 1 . . . . 148 ASP H . 25566 1 273 . 1 1 148 148 ASP C C 13 178.7 0.2 . 1 . . . . 148 ASP C . 25566 1 274 . 1 1 148 148 ASP CA C 13 57.2 0.2 . 1 . . . . 148 ASP CA . 25566 1 275 . 1 1 148 148 ASP CB C 13 40.9 0.2 . 1 . . . . 148 ASP CB . 25566 1 276 . 1 1 148 148 ASP N N 15 114.7 0.2 . 1 . . . . 148 ASP N . 25566 1 277 . 1 1 149 149 ALA H H 1 7.55 0.02 . 1 . . . . 149 ALA H . 25566 1 278 . 1 1 149 149 ALA CB C 13 17.6 0.2 . 1 . . . . 149 ALA CB . 25566 1 279 . 1 1 149 149 ALA N N 15 124 0.2 . 1 . . . . 149 ALA N . 25566 1 280 . 1 1 150 150 VAL C C 13 177.5 0.2 . 1 . . . . 150 VAL C . 25566 1 281 . 1 1 150 150 VAL CA C 13 65.4 0.2 . 1 . . . . 150 VAL CA . 25566 1 282 . 1 1 151 151 LEU H H 1 8.11 0.02 . 1 . . . . 151 LEU H . 25566 1 283 . 1 1 151 151 LEU C C 13 177.8 0.2 . 1 . . . . 151 LEU C . 25566 1 284 . 1 1 151 151 LEU CA C 13 57.9 0.2 . 1 . . . . 151 LEU CA . 25566 1 285 . 1 1 151 151 LEU CB C 13 40.4 0.2 . 1 . . . . 151 LEU CB . 25566 1 286 . 1 1 151 151 LEU N N 15 120.6 0.2 . 1 . . . . 151 LEU N . 25566 1 287 . 1 1 152 152 ALA H H 1 7.85 0.02 . 1 . . . . 152 ALA H . 25566 1 288 . 1 1 152 152 ALA C C 13 180.7 0.2 . 1 . . . . 152 ALA C . 25566 1 289 . 1 1 152 152 ALA CA C 13 55.3 0.2 . 1 . . . . 152 ALA CA . 25566 1 290 . 1 1 152 152 ALA CB C 13 17.7 0.2 . 1 . . . . 152 ALA CB . 25566 1 291 . 1 1 152 152 ALA N N 15 119.2 0.2 . 1 . . . . 152 ALA N . 25566 1 292 . 1 1 153 153 ALA H H 1 8 0.02 . 1 . . . . 153 ALA H . 25566 1 293 . 1 1 153 153 ALA C C 13 179.5 0.2 . 1 . . . . 153 ALA C . 25566 1 294 . 1 1 153 153 ALA CA C 13 55 0.2 . 1 . . . . 153 ALA CA . 25566 1 295 . 1 1 153 153 ALA CB C 13 18.4 0.2 . 1 . . . . 153 ALA CB . 25566 1 296 . 1 1 153 153 ALA N N 15 122 0.2 . 1 . . . . 153 ALA N . 25566 1 297 . 1 1 154 154 LEU H H 1 8.7 0.02 . 1 . . . . 154 LEU H . 25566 1 298 . 1 1 154 154 LEU CA C 13 58.7 0.2 . 1 . . . . 154 LEU CA . 25566 1 299 . 1 1 154 154 LEU CB C 13 41.2 0.2 . 1 . . . . 154 LEU CB . 25566 1 300 . 1 1 154 154 LEU N N 15 120.8 0.2 . 1 . . . . 154 LEU N . 25566 1 301 . 1 1 155 155 LYS H H 1 8.2 0.02 . 1 . . . . 155 LYS H . 25566 1 302 . 1 1 155 155 LYS C C 13 178.7 0.2 . 1 . . . . 155 LYS C . 25566 1 303 . 1 1 155 155 LYS CA C 13 60.1 0.2 . 1 . . . . 155 LYS CA . 25566 1 304 . 1 1 155 155 LYS CB C 13 32.2 0.2 . 1 . . . . 155 LYS CB . 25566 1 305 . 1 1 155 155 LYS N N 15 116.4 0.2 . 1 . . . . 155 LYS N . 25566 1 306 . 1 1 156 156 ALA H H 1 7.51 0.02 . 1 . . . . 156 ALA H . 25566 1 307 . 1 1 156 156 ALA CA C 13 54.8 0.2 . 1 . . . . 156 ALA CA . 25566 1 308 . 1 1 156 156 ALA CB C 13 18.1 0.2 . 1 . . . . 156 ALA CB . 25566 1 309 . 1 1 156 156 ALA N N 15 119.9 0.2 . 1 . . . . 156 ALA N . 25566 1 310 . 1 1 157 157 HIS H H 1 8.19 0.02 . 1 . . . . 157 HIS H . 25566 1 311 . 1 1 157 157 HIS C C 13 176.7 0.2 . 1 . . . . 157 HIS C . 25566 1 312 . 1 1 157 157 HIS CA C 13 59.5 0.2 . 1 . . . . 157 HIS CA . 25566 1 313 . 1 1 157 157 HIS N N 15 117.2 0.2 . 1 . . . . 157 HIS N . 25566 1 314 . 1 1 158 158 ALA H H 1 8.26 0.02 . 1 . . . . 158 ALA H . 25566 1 315 . 1 1 158 158 ALA C C 13 177.3 0.2 . 1 . . . . 158 ALA C . 25566 1 316 . 1 1 158 158 ALA CA C 13 53.4 0.2 . 1 . . . . 158 ALA CA . 25566 1 317 . 1 1 158 158 ALA CB C 13 18.2 0.2 . 1 . . . . 158 ALA CB . 25566 1 318 . 1 1 158 158 ALA N N 15 120.3 0.2 . 1 . . . . 158 ALA N . 25566 1 319 . 1 1 159 159 LYS H H 1 7.55 0.02 . 1 . . . . 159 LYS H . 25566 1 320 . 1 1 159 159 LYS C C 13 175.6 0.2 . 1 . . . . 159 LYS C . 25566 1 321 . 1 1 159 159 LYS CA C 13 56.9 0.2 . 1 . . . . 159 LYS CA . 25566 1 322 . 1 1 159 159 LYS CB C 13 31.9 0.2 . 1 . . . . 159 LYS CB . 25566 1 323 . 1 1 159 159 LYS N N 15 118.4 0.2 . 1 . . . . 159 LYS N . 25566 1 324 . 1 1 160 160 GLN H H 1 8.05 0.02 . 1 . . . . 160 GLN H . 25566 1 325 . 1 1 160 160 GLN CB C 13 30.6 0.2 . 1 . . . . 160 GLN CB . 25566 1 326 . 1 1 160 160 GLN CA C 13 57.4 0.2 . 1 . . . . 160 GLN CA . 25566 1 327 . 1 1 160 160 GLN N N 15 126 0.2 . 1 . . . . 160 GLN N . 25566 1 stop_ save_