data_50195 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50195 _Entry.Title ; Skp_A108L_monomer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-12 _Entry.Accession_date 2020-02-12 _Entry.Last_release_date 2020-02-12 _Entry.Original_release_date 2020-02-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Guillaume Mas . . . 0000-0002-2351-0455 50195 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50195 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 203 50195 '15N chemical shifts' 104 50195 '1H chemical shifts' 104 50195 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 . . 2020-12-17 . original BMRB . 50195 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50195 _Citation.ID 1 _Citation.Name 'Regulation of chaperone function by coupled folding and oligomerization' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33087350 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Regulation of chaperone function by coupled folding and oligomerization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 6 _Citation.Journal_issue 43 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eabc5822 _Citation.Page_last eabc5822 _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 Guillaume Mas G. . . . 50195 1 2 Bjorn Burmann B. M. . . 50195 1 3 Timothy Sharpe T. . . . 50195 1 4 Beatrice Claudi B. . . . 50195 1 5 Dirk Bumann D. . . . 50195 1 6 Sebastian Hiller S. . . . 50195 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Gram-negative bacteria' 50195 1 'NMR spectroscopy' 50195 1 'bacterial periplasm' 50195 1 'disordered proteins' 50195 1 'molecular chaperones' 50195 1 'protein dynamics' 50195 1 'protein folding' 50195 1 'protein structure' 50195 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50195 _Assembly.ID 1 _Assembly.Name Skp_A108L _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 Skp_A108L 1 $entity_1 . . yes native no yes . . . 50195 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50195 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Skp _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MADKIAIVNMGSLFQQVAQK TGVSNTLENEFKGRASELQR METDLQAKMKKLQSMKAGSD RTKLEKDVMAQRQTFAQKAQ AFEQDRARRSNEERGKLVTR IQTAVKSVLNSQDIDLVVDA NAVAYNSSDVKDITADVLKQ VK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 21 _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'Alanine 108 Leucine' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Chaperone 50195 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -20 MET . 50195 1 2 -19 GLY . 50195 1 3 -18 SER . 50195 1 4 -17 SER . 50195 1 5 -16 HIS . 50195 1 6 -15 HIS . 50195 1 7 -14 HIS . 50195 1 8 -13 HIS . 50195 1 9 -12 HIS . 50195 1 10 -11 HIS . 50195 1 11 -10 SER . 50195 1 12 -9 SER . 50195 1 13 -8 GLY . 50195 1 14 -7 LEU . 50195 1 15 -6 VAL . 50195 1 16 -5 PRO . 50195 1 17 -4 ARG . 50195 1 18 -3 GLY . 50195 1 19 -2 SER . 50195 1 20 -1 HIS . 50195 1 21 0 MET . 50195 1 22 1 ALA . 50195 1 23 2 ASP . 50195 1 24 3 LYS . 50195 1 25 4 ILE . 50195 1 26 5 ALA . 50195 1 27 6 ILE . 50195 1 28 7 VAL . 50195 1 29 8 ASN . 50195 1 30 9 MET . 50195 1 31 10 GLY . 50195 1 32 11 SER . 50195 1 33 12 LEU . 50195 1 34 13 PHE . 50195 1 35 14 GLN . 50195 1 36 15 GLN . 50195 1 37 16 VAL . 50195 1 38 17 ALA . 50195 1 39 18 GLN . 50195 1 40 19 LYS . 50195 1 41 20 THR . 50195 1 42 21 GLY . 50195 1 43 22 VAL . 50195 1 44 23 SER . 50195 1 45 24 ASN . 50195 1 46 25 THR . 50195 1 47 26 LEU . 50195 1 48 27 GLU . 50195 1 49 28 ASN . 50195 1 50 29 GLU . 50195 1 51 30 PHE . 50195 1 52 31 LYS . 50195 1 53 32 GLY . 50195 1 54 33 ARG . 50195 1 55 34 ALA . 50195 1 56 35 SER . 50195 1 57 36 GLU . 50195 1 58 37 LEU . 50195 1 59 38 GLN . 50195 1 60 39 ARG . 50195 1 61 40 MET . 50195 1 62 41 GLU . 50195 1 63 42 THR . 50195 1 64 43 ASP . 50195 1 65 44 LEU . 50195 1 66 45 GLN . 50195 1 67 46 ALA . 50195 1 68 47 LYS . 50195 1 69 48 MET . 50195 1 70 49 LYS . 50195 1 71 50 LYS . 50195 1 72 51 LEU . 50195 1 73 52 GLN . 50195 1 74 53 SER . 50195 1 75 54 MET . 50195 1 76 55 LYS . 50195 1 77 56 ALA . 50195 1 78 57 GLY . 50195 1 79 58 SER . 50195 1 80 59 ASP . 50195 1 81 60 ARG . 50195 1 82 61 THR . 50195 1 83 62 LYS . 50195 1 84 63 LEU . 50195 1 85 64 GLU . 50195 1 86 65 LYS . 50195 1 87 66 ASP . 50195 1 88 67 VAL . 50195 1 89 68 MET . 50195 1 90 69 ALA . 50195 1 91 70 GLN . 50195 1 92 71 ARG . 50195 1 93 72 GLN . 50195 1 94 73 THR . 50195 1 95 74 PHE . 50195 1 96 75 ALA . 50195 1 97 76 GLN . 50195 1 98 77 LYS . 50195 1 99 78 ALA . 50195 1 100 79 GLN . 50195 1 101 80 ALA . 50195 1 102 81 PHE . 50195 1 103 82 GLU . 50195 1 104 83 GLN . 50195 1 105 84 ASP . 50195 1 106 85 ARG . 50195 1 107 86 ALA . 50195 1 108 87 ARG . 50195 1 109 88 ARG . 50195 1 110 89 SER . 50195 1 111 90 ASN . 50195 1 112 91 GLU . 50195 1 113 92 GLU . 50195 1 114 93 ARG . 50195 1 115 94 GLY . 50195 1 116 95 LYS . 50195 1 117 96 LEU . 50195 1 118 97 VAL . 50195 1 119 98 THR . 50195 1 120 99 ARG . 50195 1 121 100 ILE . 50195 1 122 101 GLN . 50195 1 123 102 THR . 50195 1 124 103 ALA . 50195 1 125 104 VAL . 50195 1 126 105 LYS . 50195 1 127 106 SER . 50195 1 128 107 VAL . 50195 1 129 108 LEU . 50195 1 130 109 ASN . 50195 1 131 110 SER . 50195 1 132 111 GLN . 50195 1 133 112 ASP . 50195 1 134 113 ILE . 50195 1 135 114 ASP . 50195 1 136 115 LEU . 50195 1 137 116 VAL . 50195 1 138 117 VAL . 50195 1 139 118 ASP . 50195 1 140 119 ALA . 50195 1 141 120 ASN . 50195 1 142 121 ALA . 50195 1 143 122 VAL . 50195 1 144 123 ALA . 50195 1 145 124 TYR . 50195 1 146 125 ASN . 50195 1 147 126 SER . 50195 1 148 127 SER . 50195 1 149 128 ASP . 50195 1 150 129 VAL . 50195 1 151 130 LYS . 50195 1 152 131 ASP . 50195 1 153 132 ILE . 50195 1 154 133 THR . 50195 1 155 134 ALA . 50195 1 156 135 ASP . 50195 1 157 136 VAL . 50195 1 158 137 LEU . 50195 1 159 138 LYS . 50195 1 160 139 GLN . 50195 1 161 140 VAL . 50195 1 162 141 LYS . 50195 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 50195 1 . GLY 2 2 50195 1 . SER 3 3 50195 1 . SER 4 4 50195 1 . HIS 5 5 50195 1 . HIS 6 6 50195 1 . HIS 7 7 50195 1 . HIS 8 8 50195 1 . HIS 9 9 50195 1 . HIS 10 10 50195 1 . SER 11 11 50195 1 . SER 12 12 50195 1 . GLY 13 13 50195 1 . LEU 14 14 50195 1 . VAL 15 15 50195 1 . PRO 16 16 50195 1 . ARG 17 17 50195 1 . GLY 18 18 50195 1 . SER 19 19 50195 1 . HIS 20 20 50195 1 . MET 21 21 50195 1 . ALA 22 22 50195 1 . ASP 23 23 50195 1 . LYS 24 24 50195 1 . ILE 25 25 50195 1 . ALA 26 26 50195 1 . ILE 27 27 50195 1 . VAL 28 28 50195 1 . ASN 29 29 50195 1 . MET 30 30 50195 1 . GLY 31 31 50195 1 . SER 32 32 50195 1 . LEU 33 33 50195 1 . PHE 34 34 50195 1 . GLN 35 35 50195 1 . GLN 36 36 50195 1 . VAL 37 37 50195 1 . ALA 38 38 50195 1 . GLN 39 39 50195 1 . LYS 40 40 50195 1 . THR 41 41 50195 1 . GLY 42 42 50195 1 . VAL 43 43 50195 1 . SER 44 44 50195 1 . ASN 45 45 50195 1 . THR 46 46 50195 1 . LEU 47 47 50195 1 . GLU 48 48 50195 1 . ASN 49 49 50195 1 . GLU 50 50 50195 1 . PHE 51 51 50195 1 . LYS 52 52 50195 1 . GLY 53 53 50195 1 . ARG 54 54 50195 1 . ALA 55 55 50195 1 . SER 56 56 50195 1 . GLU 57 57 50195 1 . LEU 58 58 50195 1 . GLN 59 59 50195 1 . ARG 60 60 50195 1 . MET 61 61 50195 1 . GLU 62 62 50195 1 . THR 63 63 50195 1 . ASP 64 64 50195 1 . LEU 65 65 50195 1 . GLN 66 66 50195 1 . ALA 67 67 50195 1 . LYS 68 68 50195 1 . MET 69 69 50195 1 . LYS 70 70 50195 1 . LYS 71 71 50195 1 . LEU 72 72 50195 1 . GLN 73 73 50195 1 . SER 74 74 50195 1 . MET 75 75 50195 1 . LYS 76 76 50195 1 . ALA 77 77 50195 1 . GLY 78 78 50195 1 . SER 79 79 50195 1 . ASP 80 80 50195 1 . ARG 81 81 50195 1 . THR 82 82 50195 1 . LYS 83 83 50195 1 . LEU 84 84 50195 1 . GLU 85 85 50195 1 . LYS 86 86 50195 1 . ASP 87 87 50195 1 . VAL 88 88 50195 1 . MET 89 89 50195 1 . ALA 90 90 50195 1 . GLN 91 91 50195 1 . ARG 92 92 50195 1 . GLN 93 93 50195 1 . THR 94 94 50195 1 . PHE 95 95 50195 1 . ALA 96 96 50195 1 . GLN 97 97 50195 1 . LYS 98 98 50195 1 . ALA 99 99 50195 1 . GLN 100 100 50195 1 . ALA 101 101 50195 1 . PHE 102 102 50195 1 . GLU 103 103 50195 1 . GLN 104 104 50195 1 . ASP 105 105 50195 1 . ARG 106 106 50195 1 . ALA 107 107 50195 1 . ARG 108 108 50195 1 . ARG 109 109 50195 1 . SER 110 110 50195 1 . ASN 111 111 50195 1 . GLU 112 112 50195 1 . GLU 113 113 50195 1 . ARG 114 114 50195 1 . GLY 115 115 50195 1 . LYS 116 116 50195 1 . LEU 117 117 50195 1 . VAL 118 118 50195 1 . THR 119 119 50195 1 . ARG 120 120 50195 1 . ILE 121 121 50195 1 . GLN 122 122 50195 1 . THR 123 123 50195 1 . ALA 124 124 50195 1 . VAL 125 125 50195 1 . LYS 126 126 50195 1 . SER 127 127 50195 1 . VAL 128 128 50195 1 . LEU 129 129 50195 1 . ASN 130 130 50195 1 . SER 131 131 50195 1 . GLN 132 132 50195 1 . ASP 133 133 50195 1 . ILE 134 134 50195 1 . ASP 135 135 50195 1 . LEU 136 136 50195 1 . VAL 137 137 50195 1 . VAL 138 138 50195 1 . ASP 139 139 50195 1 . ALA 140 140 50195 1 . ASN 141 141 50195 1 . ALA 142 142 50195 1 . VAL 143 143 50195 1 . ALA 144 144 50195 1 . TYR 145 145 50195 1 . ASN 146 146 50195 1 . SER 147 147 50195 1 . SER 148 148 50195 1 . ASP 149 149 50195 1 . VAL 150 150 50195 1 . LYS 151 151 50195 1 . ASP 152 152 50195 1 . ILE 153 153 50195 1 . THR 154 154 50195 1 . ALA 155 155 50195 1 . ASP 156 156 50195 1 . VAL 157 157 50195 1 . LEU 158 158 50195 1 . LYS 159 159 50195 1 . GLN 160 160 50195 1 . VAL 161 161 50195 1 . LYS 162 162 50195 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50195 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50195 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50195 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . . . . . . plasmid . . pET28b . . . 50195 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50195 _Sample.ID 1 _Sample.Name 'Skp A108L' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50195 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 50195 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50195 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 50195 _Sample_condition_list.ID 1 _Sample_condition_list.Name Skp_A108L_buffer _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' 0.150 . M 50195 1 pH 6.5 . pH 50195 1 pressure 1 . atm 50195 1 temperature 310 . K 50195 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50195 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50195 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50195 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50195 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker avance 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50195 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50195 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50195 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Skp_A108L _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 . . . . . 50195 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50195 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50195 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50195 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Skp_A108L_assi _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 50195 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 22 22 ALA H H 1 8.22 0.02 . 1 . . . . . 1 ALA H . 50195 1 2 . 1 . 1 22 22 ALA CA C 13 49.79 0.3 . 1 . . . . . 1 ALA CA . 50195 1 3 . 1 . 1 22 22 ALA CB C 13 15.99 0.3 . 1 . . . . . 1 ALA CB . 50195 1 4 . 1 . 1 22 22 ALA N N 15 127.20 0.3 . 1 . . . . . 1 ALA N . 50195 1 5 . 1 . 1 23 23 ASP H H 1 8.14257 0.02 . 1 . . . . . 2 ASP H . 50195 1 6 . 1 . 1 23 23 ASP CA C 13 51.7 0.3 . 1 . . . . . 2 ASP CA . 50195 1 7 . 1 . 1 23 23 ASP CB C 13 38.05 0.3 . 1 . . . . . 2 ASP CB . 50195 1 8 . 1 . 1 23 23 ASP N N 15 119.36625 0.3 . 1 . . . . . 2 ASP N . 50195 1 9 . 1 . 1 25 25 ILE H H 1 7.97063 0.02 . 1 . . . . . 4 ILE H . 50195 1 10 . 1 . 1 25 25 ILE CA C 13 58.234 0.3 . 1 . . . . . 4 ILE CA . 50195 1 11 . 1 . 1 25 25 ILE CB C 13 35.333 0.3 . 1 . . . . . 4 ILE CB . 50195 1 12 . 1 . 1 25 25 ILE N N 15 122.13113 0.3 . 1 . . . . . 4 ILE N . 50195 1 13 . 1 . 1 26 26 ALA H H 1 8.15483 0.02 . 1 . . . . . 5 ALA H . 50195 1 14 . 1 . 1 26 26 ALA CA C 13 49.71 0.3 . 1 . . . . . 5 ALA CA . 50195 1 15 . 1 . 1 26 26 ALA CB C 13 16.05 0.3 . 1 . . . . . 5 ALA CB . 50195 1 16 . 1 . 1 26 26 ALA N N 15 127.64625 0.3 . 1 . . . . . 5 ALA N . 50195 1 17 . 1 . 1 27 27 ILE H H 1 7.95167 0.02 . 1 . . . . . 6 ILE H . 50195 1 18 . 1 . 1 27 27 ILE CA C 13 58.49 0.3 . 1 . . . . . 6 ILE CA . 50195 1 19 . 1 . 1 27 27 ILE CB C 13 35.15 0.3 . 1 . . . . . 6 ILE CB . 50195 1 20 . 1 . 1 27 27 ILE N N 15 120.60755 0.3 . 1 . . . . . 6 ILE N . 50195 1 21 . 1 . 1 28 28 VAL H H 1 8.00271 0.02 . 1 . . . . . 7 VAL H . 50195 1 22 . 1 . 1 28 28 VAL CA C 13 59.76 0.3 . 1 . . . . . 7 VAL CA . 50195 1 23 . 1 . 1 28 28 VAL CB C 13 29.35 0.3 . 1 . . . . . 7 VAL CB . 50195 1 24 . 1 . 1 28 28 VAL N N 15 123.50819 0.3 . 1 . . . . . 7 VAL N . 50195 1 25 . 1 . 1 31 31 GLY H H 1 8.341 0.02 . 1 . . . . . 10 GLY H . 50195 1 26 . 1 . 1 31 31 GLY CA C 13 44.8 0.3 . 1 . . . . . 10 GLY CA . 50195 1 27 . 1 . 1 31 31 GLY N N 15 109.487 0.3 . 1 . . . . . 10 GLY N . 50195 1 28 . 1 . 1 32 32 SER H H 1 8.27501 0.02 . 1 . . . . . 11 SER H . 50195 1 29 . 1 . 1 32 32 SER CA C 13 57.063 0.3 . 1 . . . . . 11 SER CA . 50195 1 30 . 1 . 1 32 32 SER CB C 13 60.845 0.3 . 1 . . . . . 11 SER CB . 50195 1 31 . 1 . 1 32 32 SER N N 15 117.88355 0.3 . 1 . . . . . 11 SER N . 50195 1 32 . 1 . 1 33 33 LEU H H 1 8.24128 0.02 . 1 . . . . . 12 LEU H . 50195 1 33 . 1 . 1 33 33 LEU CA C 13 52.576 0.3 . 1 . . . . . 12 LEU CA . 50195 1 34 . 1 . 1 33 33 LEU CB C 13 38.149 0.3 . 1 . . . . . 12 LEU CB . 50195 1 35 . 1 . 1 33 33 LEU N N 15 122.75637 0.3 . 1 . . . . . 12 LEU N . 50195 1 36 . 1 . 1 34 34 PHE H H 1 7.93559 0.02 . 1 . . . . . 13 PHE H . 50195 1 37 . 1 . 1 34 34 PHE CA C 13 56.846 0.3 . 1 . . . . . 13 PHE CA . 50195 1 38 . 1 . 1 34 34 PHE CB C 13 38.243 0.3 . 1 . . . . . 13 PHE CB . 50195 1 39 . 1 . 1 34 34 PHE N N 15 122.72431 0.3 . 1 . . . . . 13 PHE N . 50195 1 40 . 1 . 1 35 35 GLN H H 1 7.97155 0.02 . 1 . . . . . 14 GLN H . 50195 1 41 . 1 . 1 35 35 GLN CA C 13 56.846 0.3 . 1 . . . . . 14 GLN CA . 50195 1 42 . 1 . 1 35 35 GLN CB C 13 29.306 0.3 . 1 . . . . . 14 GLN CB . 50195 1 43 . 1 . 1 35 35 GLN N N 15 122.62303 0.3 . 1 . . . . . 14 GLN N . 50195 1 44 . 1 . 1 36 36 GLN H H 1 8.18992 0.02 . 1 . . . . . 15 GLN H . 50195 1 45 . 1 . 1 36 36 GLN CA C 13 53.329 0.3 . 1 . . . . . 15 GLN CA . 50195 1 46 . 1 . 1 36 36 GLN CB C 13 27.695 0.3 . 1 . . . . . 15 GLN CB . 50195 1 47 . 1 . 1 36 36 GLN N N 15 123.8724 0.3 . 1 . . . . . 15 GLN N . 50195 1 48 . 1 . 1 41 41 THR H H 1 8.08688 0.02 . 1 . . . . . 20 THR H . 50195 1 49 . 1 . 1 41 41 THR CA C 13 59.23 0.3 . 1 . . . . . 20 THR CA . 50195 1 50 . 1 . 1 41 41 THR CB C 13 67.07 0.3 . 1 . . . . . 20 THR CB . 50195 1 51 . 1 . 1 41 41 THR N N 15 115.11703 0.3 . 1 . . . . . 20 THR N . 50195 1 52 . 1 . 1 42 42 GLY H H 1 8.30537 0.02 . 1 . . . . . 21 GLY H . 50195 1 53 . 1 . 1 42 42 GLY CA C 13 44.6 0.3 . 1 . . . . . 21 GLY CA . 50195 1 54 . 1 . 1 42 42 GLY N N 15 110.91139 0.3 . 1 . . . . . 21 GLY N . 50195 1 55 . 1 . 1 43 43 VAL H H 1 7.928 0.02 . 1 . . . . . 22 VAL H . 50195 1 56 . 1 . 1 43 43 VAL CA C 13 59.85 0.3 . 1 . . . . . 22 VAL CA . 50195 1 57 . 1 . 1 43 43 VAL CB C 13 29.01 0.3 . 1 . . . . . 22 VAL CB . 50195 1 58 . 1 . 1 43 43 VAL N N 15 119.434 0.3 . 1 . . . . . 22 VAL N . 50195 1 59 . 1 . 1 46 46 THR H H 1 8.0929 0.02 . 1 . . . . . 25 THR H . 50195 1 60 . 1 . 1 46 46 THR CA C 13 59.616 0.3 . 1 . . . . . 25 THR CA . 50195 1 61 . 1 . 1 46 46 THR CB C 13 66.879 0.3 . 1 . . . . . 25 THR CB . 50195 1 62 . 1 . 1 46 46 THR N N 15 114.84014 0.3 . 1 . . . . . 25 THR N . 50195 1 63 . 1 . 1 47 47 LEU H H 1 8.18338 0.02 . 1 . . . . . 26 LEU H . 50195 1 64 . 1 . 1 47 47 LEU CA C 13 53.703 0.3 . 1 . . . . . 26 LEU CA . 50195 1 65 . 1 . 1 47 47 LEU CB C 13 38.69 0.3 . 1 . . . . . 26 LEU CB . 50195 1 66 . 1 . 1 47 47 LEU N N 15 124.26808 0.3 . 1 . . . . . 26 LEU N . 50195 1 67 . 1 . 1 48 48 GLU H H 1 7.8661 0.02 . 1 . . . . . 27 GLU H . 50195 1 68 . 1 . 1 48 48 GLU CA C 13 58.512 0.3 . 1 . . . . . 27 GLU CA . 50195 1 69 . 1 . 1 48 48 GLU CB C 13 29.094 0.3 . 1 . . . . . 27 GLU CB . 50195 1 70 . 1 . 1 48 48 GLU N N 15 119.9036 0.3 . 1 . . . . . 27 GLU N . 50195 1 71 . 1 . 1 49 49 ASN H H 1 8.0745 0.02 . 1 . . . . . 28 ASN H . 50195 1 72 . 1 . 1 49 49 ASN CA C 13 53.285 0.3 . 1 . . . . . 28 ASN CA . 50195 1 73 . 1 . 1 49 49 ASN CB C 13 35.28 0.3 . 1 . . . . . 28 ASN CB . 50195 1 74 . 1 . 1 49 49 ASN N N 15 121.93485 0.3 . 1 . . . . . 28 ASN N . 50195 1 75 . 1 . 1 50 50 GLU H H 1 7.97072 0.02 . 1 . . . . . 29 GLU H . 50195 1 76 . 1 . 1 50 50 GLU CA C 13 56.283 0.3 . 1 . . . . . 29 GLU CA . 50195 1 77 . 1 . 1 50 50 GLU CB C 13 29.22 0.3 . 1 . . . . . 29 GLU CB . 50195 1 78 . 1 . 1 50 50 GLU N N 15 122.45874 0.3 . 1 . . . . . 29 GLU N . 50195 1 79 . 1 . 1 52 52 LYS H H 1 8.46908 0.02 . 1 . . . . . 31 LYS H . 50195 1 80 . 1 . 1 52 52 LYS CA C 13 55.06 0.3 . 1 . . . . . 31 LYS CA . 50195 1 81 . 1 . 1 52 52 LYS CB C 13 28.74 0.3 . 1 . . . . . 31 LYS CB . 50195 1 82 . 1 . 1 52 52 LYS N N 15 121.35137 0.3 . 1 . . . . . 31 LYS N . 50195 1 83 . 1 . 1 53 53 GLY H H 1 7.98043 0.02 . 1 . . . . . 32 GLY H . 50195 1 84 . 1 . 1 53 53 GLY CA C 13 44.89 0.3 . 1 . . . . . 32 GLY CA . 50195 1 85 . 1 . 1 53 53 GLY N N 15 109.29505 0.3 . 1 . . . . . 32 GLY N . 50195 1 86 . 1 . 1 54 54 ARG H H 1 8.08626 0.02 . 1 . . . . . 33 ARG H . 50195 1 87 . 1 . 1 54 54 ARG CA C 13 54.11 0.3 . 1 . . . . . 33 ARG CA . 50195 1 88 . 1 . 1 54 54 ARG CB C 13 26.05 0.3 . 1 . . . . . 33 ARG CB . 50195 1 89 . 1 . 1 54 54 ARG N N 15 121.5667 0.3 . 1 . . . . . 33 ARG N . 50195 1 90 . 1 . 1 55 55 ALA H H 1 8.3585 0.02 . 1 . . . . . 34 ALA H . 50195 1 91 . 1 . 1 55 55 ALA CA C 13 50.95 0.3 . 1 . . . . . 34 ALA CA . 50195 1 92 . 1 . 1 55 55 ALA CB C 13 15.53 0.3 . 1 . . . . . 34 ALA CB . 50195 1 93 . 1 . 1 55 55 ALA N N 15 124.6623 0.3 . 1 . . . . . 34 ALA N . 50195 1 94 . 1 . 1 56 56 SER H H 1 8.19665 0.02 . 1 . . . . . 35 SER H . 50195 1 95 . 1 . 1 56 56 SER CA C 13 56.67 0.3 . 1 . . . . . 35 SER CA . 50195 1 96 . 1 . 1 56 56 SER CB C 13 60.39 0.3 . 1 . . . . . 35 SER CB . 50195 1 97 . 1 . 1 56 56 SER N N 15 115.13726 0.3 . 1 . . . . . 35 SER N . 50195 1 98 . 1 . 1 57 57 GLU H H 1 8.21552 0.02 . 1 . . . . . 36 GLU H . 50195 1 99 . 1 . 1 57 57 GLU CA C 13 54.9 0.3 . 1 . . . . . 36 GLU CA . 50195 1 100 . 1 . 1 57 57 GLU CB C 13 26.83 0.3 . 1 . . . . . 36 GLU CB . 50195 1 101 . 1 . 1 57 57 GLU N N 15 115.51158 0.3 . 1 . . . . . 36 GLU N . 50195 1 102 . 1 . 1 58 58 LEU H H 1 8.21136 0.02 . 1 . . . . . 37 LEU H . 50195 1 103 . 1 . 1 58 58 LEU CA C 13 51.31 0.3 . 1 . . . . . 37 LEU CA . 50195 1 104 . 1 . 1 58 58 LEU CB C 13 38.15 0.3 . 1 . . . . . 37 LEU CB . 50195 1 105 . 1 . 1 58 58 LEU N N 15 118.95005 0.3 . 1 . . . . . 37 LEU N . 50195 1 106 . 1 . 1 59 59 GLN H H 1 8.29589 0.02 . 1 . . . . . 38 GLN H . 50195 1 107 . 1 . 1 59 59 GLN CA C 13 54.77 0.3 . 1 . . . . . 38 GLN CA . 50195 1 108 . 1 . 1 59 59 GLN CB C 13 26.71 0.3 . 1 . . . . . 38 GLN CB . 50195 1 109 . 1 . 1 59 59 GLN N N 15 121.54213 0.3 . 1 . . . . . 38 GLN N . 50195 1 110 . 1 . 1 60 60 ARG H H 1 8.18226 0.02 . 1 . . . . . 39 ARG H . 50195 1 111 . 1 . 1 60 60 ARG CA C 13 55.64 0.3 . 1 . . . . . 39 ARG CA . 50195 1 112 . 1 . 1 60 60 ARG CB C 13 27.715 0.3 . 1 . . . . . 39 ARG CB . 50195 1 113 . 1 . 1 60 60 ARG N N 15 120.515 0.3 . 1 . . . . . 39 ARG N . 50195 1 114 . 1 . 1 61 61 MET H H 1 8.07091 0.02 . 1 . . . . . 40 MET H . 50195 1 115 . 1 . 1 61 61 MET CA C 13 54.72 0.3 . 1 . . . . . 40 MET CA . 50195 1 116 . 1 . 1 61 61 MET CB C 13 29.31 0.3 . 1 . . . . . 40 MET CB . 50195 1 117 . 1 . 1 61 61 MET N N 15 122.90086 0.3 . 1 . . . . . 40 MET N . 50195 1 118 . 1 . 1 62 62 GLU H H 1 8.246 0.02 . 1 . . . . . 41 GLU H . 50195 1 119 . 1 . 1 62 62 GLU CA C 13 54.55 0.3 . 1 . . . . . 41 GLU CA . 50195 1 120 . 1 . 1 62 62 GLU CB C 13 25.78 0.3 . 1 . . . . . 41 GLU CB . 50195 1 121 . 1 . 1 62 62 GLU N N 15 119.473 0.3 . 1 . . . . . 41 GLU N . 50195 1 122 . 1 . 1 63 63 THR H H 1 8.07213 0.02 . 1 . . . . . 42 THR H . 50195 1 123 . 1 . 1 63 63 THR CA C 13 60.849 0.3 . 1 . . . . . 42 THR CA . 50195 1 124 . 1 . 1 63 63 THR CB C 13 67.092 0.3 . 1 . . . . . 42 THR CB . 50195 1 125 . 1 . 1 63 63 THR N N 15 116.15118 0.3 . 1 . . . . . 42 THR N . 50195 1 126 . 1 . 1 66 66 GLN H H 1 8.18287 0.02 . 1 . . . . . 45 GLN H . 50195 1 127 . 1 . 1 66 66 GLN CA C 13 54.59 0.3 . 1 . . . . . 45 GLN CA . 50195 1 128 . 1 . 1 66 66 GLN CB C 13 26.69 0.3 . 1 . . . . . 45 GLN CB . 50195 1 129 . 1 . 1 66 66 GLN N N 15 121.50278 0.3 . 1 . . . . . 45 GLN N . 50195 1 130 . 1 . 1 67 67 ALA H H 1 8.04478 0.02 . 1 . . . . . 46 ALA H . 50195 1 131 . 1 . 1 67 67 ALA CA C 13 50.47 0.3 . 1 . . . . . 46 ALA CA . 50195 1 132 . 1 . 1 67 67 ALA CB C 13 15.53 0.3 . 1 . . . . . 46 ALA CB . 50195 1 133 . 1 . 1 67 67 ALA N N 15 123.33627 0.3 . 1 . . . . . 46 ALA N . 50195 1 134 . 1 . 1 68 68 LYS H H 1 7.939 0.02 . 1 . . . . . 47 LYS H . 50195 1 135 . 1 . 1 68 68 LYS CA C 13 54.28 0.3 . 1 . . . . . 47 LYS CA . 50195 1 136 . 1 . 1 68 68 LYS CB C 13 29.578 0.3 . 1 . . . . . 47 LYS CB . 50195 1 137 . 1 . 1 68 68 LYS N N 15 119.579 0.3 . 1 . . . . . 47 LYS N . 50195 1 138 . 1 . 1 69 69 MET H H 1 8.27972 0.02 . 1 . . . . . 48 MET H . 50195 1 139 . 1 . 1 69 69 MET CA C 13 53.28 0.3 . 1 . . . . . 48 MET CA . 50195 1 140 . 1 . 1 69 69 MET CB C 13 29.52 0.3 . 1 . . . . . 48 MET CB . 50195 1 141 . 1 . 1 69 69 MET N N 15 122.91837 0.3 . 1 . . . . . 48 MET N . 50195 1 142 . 1 . 1 70 70 LYS H H 1 7.841 0.02 . 1 . . . . . 49 LYS H . 50195 1 143 . 1 . 1 70 70 LYS CA C 13 55.11 0.3 . 1 . . . . . 49 LYS CA . 50195 1 144 . 1 . 1 70 70 LYS CB C 13 29.05 0.3 . 1 . . . . . 49 LYS CB . 50195 1 145 . 1 . 1 70 70 LYS N N 15 121.36 0.3 . 1 . . . . . 49 LYS N . 50195 1 146 . 1 . 1 72 72 LEU H H 1 8.22709 0.02 . 1 . . . . . 51 LEU H . 50195 1 147 . 1 . 1 72 72 LEU CA C 13 51.698 0.3 . 1 . . . . . 51 LEU CA . 50195 1 148 . 1 . 1 72 72 LEU CB C 13 38.103 0.3 . 1 . . . . . 51 LEU CB . 50195 1 149 . 1 . 1 72 72 LEU N N 15 123.11536 0.3 . 1 . . . . . 51 LEU N . 50195 1 150 . 1 . 1 73 73 GLN H H 1 8.044 0.02 . 1 . . . . . 52 GLN H . 50195 1 151 . 1 . 1 73 73 GLN CA C 13 53.341 0.3 . 1 . . . . . 52 GLN CA . 50195 1 152 . 1 . 1 73 73 GLN CB C 13 26.125 0.3 . 1 . . . . . 52 GLN CB . 50195 1 153 . 1 . 1 73 73 GLN N N 15 121.103 0.3 . 1 . . . . . 52 GLN N . 50195 1 154 . 1 . 1 74 74 SER H H 1 8.20817 0.02 . 1 . . . . . 53 SER H . 50195 1 155 . 1 . 1 74 74 SER CA C 13 55.36 0.3 . 1 . . . . . 53 SER CA . 50195 1 156 . 1 . 1 74 74 SER CB C 13 60.95 0.3 . 1 . . . . . 53 SER CB . 50195 1 157 . 1 . 1 74 74 SER N N 15 117.37899 0.3 . 1 . . . . . 53 SER N . 50195 1 158 . 1 . 1 75 75 MET H H 1 8.19812 0.02 . 1 . . . . . 54 MET H . 50195 1 159 . 1 . 1 75 75 MET CA C 13 54.03 0.3 . 1 . . . . . 54 MET CA . 50195 1 160 . 1 . 1 75 75 MET CB C 13 29.46 0.3 . 1 . . . . . 54 MET CB . 50195 1 161 . 1 . 1 75 75 MET N N 15 123.13081 0.3 . 1 . . . . . 54 MET N . 50195 1 162 . 1 . 1 77 77 ALA H H 1 8.23037 0.02 . 1 . . . . . 56 ALA H . 50195 1 163 . 1 . 1 77 77 ALA CA C 13 49.87 0.3 . 1 . . . . . 56 ALA CA . 50195 1 164 . 1 . 1 77 77 ALA CB C 13 16.13 0.3 . 1 . . . . . 56 ALA CB . 50195 1 165 . 1 . 1 77 77 ALA N N 15 124.98972 0.3 . 1 . . . . . 56 ALA N . 50195 1 166 . 1 . 1 78 78 GLY H H 1 8.31726 0.02 . 1 . . . . . 57 GLY H . 50195 1 167 . 1 . 1 78 78 GLY CA C 13 45.34 0.3 . 1 . . . . . 57 GLY CA . 50195 1 168 . 1 . 1 78 78 GLY N N 15 109.10001 0.3 . 1 . . . . . 57 GLY N . 50195 1 169 . 1 . 1 79 79 SER H H 1 8.122 0.02 . 1 . . . . . 58 SER H . 50195 1 170 . 1 . 1 79 79 SER CA C 13 60 0.3 . 1 . . . . . 58 SER CA . 50195 1 171 . 1 . 1 79 79 SER CB C 13 63.8 0.3 . 1 . . . . . 58 SER CB . 50195 1 172 . 1 . 1 79 79 SER N N 15 116.168 0.3 . 1 . . . . . 58 SER N . 50195 1 173 . 1 . 1 81 81 ARG H H 1 8.3701 0.02 . 1 . . . . . 60 ARG H . 50195 1 174 . 1 . 1 81 81 ARG CA C 13 55.05 0.3 . 1 . . . . . 60 ARG CA . 50195 1 175 . 1 . 1 81 81 ARG CB C 13 26.61 0.3 . 1 . . . . . 60 ARG CB . 50195 1 176 . 1 . 1 81 81 ARG N N 15 121.86405 0.3 . 1 . . . . . 60 ARG N . 50195 1 177 . 1 . 1 82 82 THR H H 1 8.1262 0.02 . 1 . . . . . 61 THR H . 50195 1 178 . 1 . 1 82 82 THR CA C 13 61.43 0.3 . 1 . . . . . 61 THR CA . 50195 1 179 . 1 . 1 82 82 THR CB C 13 66.78 0.3 . 1 . . . . . 61 THR CB . 50195 1 180 . 1 . 1 82 82 THR N N 15 115.38113 0.3 . 1 . . . . . 61 THR N . 50195 1 181 . 1 . 1 84 84 LEU H H 1 8.08661 0.02 . 1 . . . . . 63 LEU H . 50195 1 182 . 1 . 1 84 84 LEU CA C 13 53.08 0.3 . 1 . . . . . 63 LEU CA . 50195 1 183 . 1 . 1 84 84 LEU CB C 13 38.66 0.3 . 1 . . . . . 63 LEU CB . 50195 1 184 . 1 . 1 84 84 LEU N N 15 123.81308 0.3 . 1 . . . . . 63 LEU N . 50195 1 185 . 1 . 1 85 85 GLU H H 1 8.234 0.02 . 1 . . . . . 64 GLU H . 50195 1 186 . 1 . 1 85 85 GLU CA C 13 54.5 0.3 . 1 . . . . . 64 GLU CA . 50195 1 187 . 1 . 1 85 85 GLU CB C 13 26.9 0.3 . 1 . . . . . 64 GLU CB . 50195 1 188 . 1 . 1 85 85 GLU N N 15 121.095 0.3 . 1 . . . . . 64 GLU N . 50195 1 189 . 1 . 1 86 86 LYS H H 1 8.039 0.02 . 1 . . . . . 65 LYS H . 50195 1 190 . 1 . 1 86 86 LYS CA C 13 54.96 0.3 . 1 . . . . . 65 LYS CA . 50195 1 191 . 1 . 1 86 86 LYS CB C 13 29.29 0.3 . 1 . . . . . 65 LYS CB . 50195 1 192 . 1 . 1 86 86 LYS N N 15 120.596 0.3 . 1 . . . . . 65 LYS N . 50195 1 193 . 1 . 1 87 87 ASP H H 1 8.15035 0.02 . 1 . . . . . 66 ASP H . 50195 1 194 . 1 . 1 87 87 ASP CA C 13 53.22 0.3 . 1 . . . . . 66 ASP CA . 50195 1 195 . 1 . 1 87 87 ASP CB C 13 38.01 0.3 . 1 . . . . . 66 ASP CB . 50195 1 196 . 1 . 1 87 87 ASP N N 15 121.8421 0.3 . 1 . . . . . 66 ASP N . 50195 1 197 . 1 . 1 90 90 ALA H H 1 7.9505 0.02 . 1 . . . . . 69 ALA H . 50195 1 198 . 1 . 1 90 90 ALA CA C 13 51.64 0.3 . 1 . . . . . 69 ALA CA . 50195 1 199 . 1 . 1 90 90 ALA CB C 13 14.98 0.3 . 1 . . . . . 69 ALA CB . 50195 1 200 . 1 . 1 90 90 ALA N N 15 122.99347 0.3 . 1 . . . . . 69 ALA N . 50195 1 201 . 1 . 1 91 91 GLN H H 1 8.02702 0.02 . 1 . . . . . 70 GLN H . 50195 1 202 . 1 . 1 91 91 GLN CA C 13 55.949 0.3 . 1 . . . . . 70 GLN CA . 50195 1 203 . 1 . 1 91 91 GLN CB C 13 29.224 0.3 . 1 . . . . . 70 GLN CB . 50195 1 204 . 1 . 1 91 91 GLN N N 15 119.8674 0.3 . 1 . . . . . 70 GLN N . 50195 1 205 . 1 . 1 92 92 ARG H H 1 8.21435 0.02 . 1 . . . . . 71 ARG H . 50195 1 206 . 1 . 1 92 92 ARG CA C 13 54.649 0.3 . 1 . . . . . 71 ARG CA . 50195 1 207 . 1 . 1 92 92 ARG CB C 13 25.984 0.3 . 1 . . . . . 71 ARG CB . 50195 1 208 . 1 . 1 92 92 ARG N N 15 120.74301 0.3 . 1 . . . . . 71 ARG N . 50195 1 209 . 1 . 1 93 93 GLN H H 1 8.36633 0.02 . 1 . . . . . 72 GLN H . 50195 1 210 . 1 . 1 93 93 GLN CA C 13 55.417 0.3 . 1 . . . . . 72 GLN CA . 50195 1 211 . 1 . 1 93 93 GLN CB C 13 26.84 0.3 . 1 . . . . . 72 GLN CB . 50195 1 212 . 1 . 1 93 93 GLN N N 15 122.266 0.3 . 1 . . . . . 72 GLN N . 50195 1 213 . 1 . 1 94 94 THR H H 1 8.084 0.02 . 1 . . . . . 73 THR H . 50195 1 214 . 1 . 1 94 94 THR CA C 13 62.03 0.3 . 1 . . . . . 73 THR CA . 50195 1 215 . 1 . 1 94 94 THR CB C 13 66.87 0.3 . 1 . . . . . 73 THR CB . 50195 1 216 . 1 . 1 94 94 THR N N 15 116.238 0.3 . 1 . . . . . 73 THR N . 50195 1 217 . 1 . 1 96 96 ALA H H 1 8.19534 0.02 . 1 . . . . . 75 ALA H . 50195 1 218 . 1 . 1 96 96 ALA CA C 13 51.875 0.3 . 1 . . . . . 75 ALA CA . 50195 1 219 . 1 . 1 96 96 ALA CB C 13 16.035 0.3 . 1 . . . . . 75 ALA CB . 50195 1 220 . 1 . 1 96 96 ALA N N 15 124.79329 0.3 . 1 . . . . . 75 ALA N . 50195 1 221 . 1 . 1 97 97 GLN H H 1 8.422 0.02 . 1 . . . . . 76 GLN H . 50195 1 222 . 1 . 1 97 97 GLN CA C 13 55.172 0.3 . 1 . . . . . 76 GLN CA . 50195 1 223 . 1 . 1 97 97 GLN CB C 13 26.73 0.3 . 1 . . . . . 76 GLN CB . 50195 1 224 . 1 . 1 97 97 GLN N N 15 124.829 0.3 . 1 . . . . . 76 GLN N . 50195 1 225 . 1 . 1 98 98 LYS H H 1 8.24785 0.02 . 1 . . . . . 77 LYS H . 50195 1 226 . 1 . 1 98 98 LYS CA C 13 55.246 0.3 . 1 . . . . . 77 LYS CA . 50195 1 227 . 1 . 1 98 98 LYS CB C 13 29.573 0.3 . 1 . . . . . 77 LYS CB . 50195 1 228 . 1 . 1 98 98 LYS N N 15 122.95313 0.3 . 1 . . . . . 77 LYS N . 50195 1 229 . 1 . 1 99 99 ALA H H 1 8.16043 0.02 . 1 . . . . . 78 ALA H . 50195 1 230 . 1 . 1 99 99 ALA CA C 13 51.014 0.3 . 1 . . . . . 78 ALA CA . 50195 1 231 . 1 . 1 99 99 ALA CB C 13 15.588 0.3 . 1 . . . . . 78 ALA CB . 50195 1 232 . 1 . 1 99 99 ALA N N 15 123.74546 0.3 . 1 . . . . . 78 ALA N . 50195 1 233 . 1 . 1 100 100 GLN H H 1 8.2296 0.02 . 1 . . . . . 79 GLN H . 50195 1 234 . 1 . 1 100 100 GLN CA C 13 54.555 0.3 . 1 . . . . . 79 GLN CA . 50195 1 235 . 1 . 1 100 100 GLN CB C 13 25.72 0.3 . 1 . . . . . 79 GLN CB . 50195 1 236 . 1 . 1 100 100 GLN N N 15 119.4662 0.3 . 1 . . . . . 79 GLN N . 50195 1 237 . 1 . 1 101 101 ALA H H 1 7.9546 0.02 . 1 . . . . . 80 ALA H . 50195 1 238 . 1 . 1 101 101 ALA CA C 13 51.018 0.3 . 1 . . . . . 80 ALA CA . 50195 1 239 . 1 . 1 101 101 ALA CB C 13 15.366 0.3 . 1 . . . . . 80 ALA CB . 50195 1 240 . 1 . 1 101 101 ALA N N 15 123.62031 0.3 . 1 . . . . . 80 ALA N . 50195 1 241 . 1 . 1 102 102 PHE H H 1 8.25606 0.02 . 1 . . . . . 81 PHE H . 50195 1 242 . 1 . 1 102 102 PHE CA C 13 58.543 0.3 . 1 . . . . . 81 PHE CA . 50195 1 243 . 1 . 1 102 102 PHE CB C 13 38.09 0.3 . 1 . . . . . 81 PHE CB . 50195 1 244 . 1 . 1 102 102 PHE N N 15 123.57885 0.3 . 1 . . . . . 81 PHE N . 50195 1 245 . 1 . 1 103 103 GLU H H 1 8.248 0.02 . 1 . . . . . 82 GLU H . 50195 1 246 . 1 . 1 103 103 GLU CA C 13 54.52 0.3 . 1 . . . . . 82 GLU CA . 50195 1 247 . 1 . 1 103 103 GLU CB C 13 26.87 0.3 . 1 . . . . . 82 GLU CB . 50195 1 248 . 1 . 1 103 103 GLU N N 15 121.373 0.3 . 1 . . . . . 82 GLU N . 50195 1 249 . 1 . 1 104 104 GLN H H 1 8.25788 0.02 . 1 . . . . . 83 GLN H . 50195 1 250 . 1 . 1 104 104 GLN CA C 13 54.43 0.3 . 1 . . . . . 83 GLN CA . 50195 1 251 . 1 . 1 104 104 GLN CB C 13 26.75 0.3 . 1 . . . . . 83 GLN CB . 50195 1 252 . 1 . 1 104 104 GLN N N 15 121.66604 0.3 . 1 . . . . . 83 GLN N . 50195 1 253 . 1 . 1 105 105 ASP H H 1 8.01897 0.02 . 1 . . . . . 84 ASP H . 50195 1 254 . 1 . 1 105 105 ASP CA C 13 54.048 0.3 . 1 . . . . . 84 ASP CA . 50195 1 255 . 1 . 1 105 105 ASP CB C 13 38.119 0.3 . 1 . . . . . 84 ASP CB . 50195 1 256 . 1 . 1 105 105 ASP N N 15 119.27302 0.3 . 1 . . . . . 84 ASP N . 50195 1 257 . 1 . 1 106 106 ARG H H 1 8.10736 0.02 . 1 . . . . . 85 ARG H . 50195 1 258 . 1 . 1 106 106 ARG CA C 13 55.221 0.3 . 1 . . . . . 85 ARG CA . 50195 1 259 . 1 . 1 106 106 ARG CB C 13 27.611 0.3 . 1 . . . . . 85 ARG CB . 50195 1 260 . 1 . 1 106 106 ARG N N 15 122.5244 0.3 . 1 . . . . . 85 ARG N . 50195 1 261 . 1 . 1 107 107 ALA H H 1 8.408 0.02 . 1 . . . . . 86 ALA H . 50195 1 262 . 1 . 1 107 107 ALA CA C 13 50.71 0.3 . 1 . . . . . 86 ALA CA . 50195 1 263 . 1 . 1 107 107 ALA CB C 13 15.42 0.3 . 1 . . . . . 86 ALA CB . 50195 1 264 . 1 . 1 107 107 ALA N N 15 124.819 0.3 . 1 . . . . . 86 ALA N . 50195 1 265 . 1 . 1 108 108 ARG H H 1 8.08766 0.02 . 1 . . . . . 87 ARG H . 50195 1 266 . 1 . 1 108 108 ARG CA C 13 54.02 0.3 . 1 . . . . . 87 ARG CA . 50195 1 267 . 1 . 1 108 108 ARG CB C 13 25.85 0.3 . 1 . . . . . 87 ARG CB . 50195 1 268 . 1 . 1 108 108 ARG N N 15 119.45908 0.3 . 1 . . . . . 87 ARG N . 50195 1 269 . 1 . 1 110 110 SER H H 1 8.08976 0.02 . 1 . . . . . 89 SER H . 50195 1 270 . 1 . 1 110 110 SER CA C 13 59.935 0.3 . 1 . . . . . 89 SER CA . 50195 1 271 . 1 . 1 110 110 SER CB C 13 63.396 0.3 . 1 . . . . . 89 SER CB . 50195 1 272 . 1 . 1 110 110 SER N N 15 117.30577 0.3 . 1 . . . . . 89 SER N . 50195 1 273 . 1 . 1 111 111 ASN H H 1 8.13927 0.02 . 1 . . . . . 90 ASN H . 50195 1 274 . 1 . 1 111 111 ASN CA C 13 54.836 0.3 . 1 . . . . . 90 ASN CA . 50195 1 275 . 1 . 1 111 111 ASN CB C 13 38.303 0.3 . 1 . . . . . 90 ASN CB . 50195 1 276 . 1 . 1 111 111 ASN N N 15 122.25899 0.3 . 1 . . . . . 90 ASN N . 50195 1 277 . 1 . 1 112 112 GLU H H 1 8.055 0.02 . 1 . . . . . 91 GLU H . 50195 1 278 . 1 . 1 112 112 GLU CA C 13 54.669 0.3 . 1 . . . . . 91 GLU CA . 50195 1 279 . 1 . 1 112 112 GLU CB C 13 25.686 0.3 . 1 . . . . . 91 GLU CB . 50195 1 280 . 1 . 1 112 112 GLU N N 15 120.164 0.3 . 1 . . . . . 91 GLU N . 50195 1 281 . 1 . 1 114 114 ARG H H 1 8.19581 0.02 . 1 . . . . . 93 ARG H . 50195 1 282 . 1 . 1 114 114 ARG CA C 13 54.43 0.3 . 1 . . . . . 93 ARG CA . 50195 1 283 . 1 . 1 114 114 ARG CB C 13 26.79 0.3 . 1 . . . . . 93 ARG CB . 50195 1 284 . 1 . 1 114 114 ARG N N 15 121.73933 0.3 . 1 . . . . . 93 ARG N . 50195 1 285 . 1 . 1 115 115 GLY H H 1 8.29124 0.02 . 1 . . . . . 94 GLY H . 50195 1 286 . 1 . 1 115 115 GLY CA C 13 44.71 0.3 . 1 . . . . . 94 GLY CA . 50195 1 287 . 1 . 1 115 115 GLY N N 15 109.31521 0.3 . 1 . . . . . 94 GLY N . 50195 1 288 . 1 . 1 116 116 LYS H H 1 7.918 0.02 . 1 . . . . . 95 LYS H . 50195 1 289 . 1 . 1 116 116 LYS CA C 13 53.5 0.3 . 1 . . . . . 95 LYS CA . 50195 1 290 . 1 . 1 116 116 LYS CB C 13 29.2 0.3 . 1 . . . . . 95 LYS CB . 50195 1 291 . 1 . 1 116 116 LYS N N 15 120.925 0.3 . 1 . . . . . 95 LYS N . 50195 1 292 . 1 . 1 117 117 LEU H H 1 8.08016 0.02 . 1 . . . . . 96 LEU H . 50195 1 293 . 1 . 1 117 117 LEU CA C 13 52.77 0.3 . 1 . . . . . 96 LEU CA . 50195 1 294 . 1 . 1 117 117 LEU CB C 13 38.9 0.3 . 1 . . . . . 96 LEU CB . 50195 1 295 . 1 . 1 117 117 LEU N N 15 123.2657 0.3 . 1 . . . . . 96 LEU N . 50195 1 296 . 1 . 1 124 124 ALA H H 1 8.20413 0.02 . 1 . . . . . 103 ALA H . 50195 1 297 . 1 . 1 124 124 ALA CA C 13 50.676 0.3 . 1 . . . . . 103 ALA CA . 50195 1 298 . 1 . 1 124 124 ALA CB C 13 16.131 0.3 . 1 . . . . . 103 ALA CB . 50195 1 299 . 1 . 1 124 124 ALA N N 15 126.72174 0.3 . 1 . . . . . 103 ALA N . 50195 1 300 . 1 . 1 125 125 VAL H H 1 8.009 0.02 . 1 . . . . . 104 VAL H . 50195 1 301 . 1 . 1 125 125 VAL CA C 13 59.672 0.3 . 1 . . . . . 104 VAL CA . 50195 1 302 . 1 . 1 125 125 VAL CB C 13 29.32 0.3 . 1 . . . . . 104 VAL CB . 50195 1 303 . 1 . 1 125 125 VAL N N 15 119.867 0.3 . 1 . . . . . 104 VAL N . 50195 1 304 . 1 . 1 128 128 VAL H H 1 7.916 0.02 . 1 . . . . . 107 VAL H . 50195 1 305 . 1 . 1 128 128 VAL CA C 13 58.931 0.3 . 1 . . . . . 107 VAL CA . 50195 1 306 . 1 . 1 128 128 VAL CB C 13 28.586 0.3 . 1 . . . . . 107 VAL CB . 50195 1 307 . 1 . 1 128 128 VAL N N 15 121.353 0.3 . 1 . . . . . 107 VAL N . 50195 1 308 . 1 . 1 131 131 SER H H 1 8.1848 0.02 . 1 . . . . . 110 SER H . 50195 1 309 . 1 . 1 131 131 SER CA C 13 56.36 0.3 . 1 . . . . . 110 SER CA . 50195 1 310 . 1 . 1 131 131 SER CB C 13 60.78 0.3 . 1 . . . . . 110 SER CB . 50195 1 311 . 1 . 1 131 131 SER N N 15 116.5963 0.3 . 1 . . . . . 110 SER N . 50195 1 312 . 1 . 1 132 132 GLN H H 1 8.34123 0.02 . 1 . . . . . 111 GLN H . 50195 1 313 . 1 . 1 132 132 GLN CA C 13 53.35 0.3 . 1 . . . . . 111 GLN CA . 50195 1 314 . 1 . 1 132 132 GLN CB C 13 26.35 0.3 . 1 . . . . . 111 GLN CB . 50195 1 315 . 1 . 1 132 132 GLN N N 15 121.82105 0.3 . 1 . . . . . 111 GLN N . 50195 1 316 . 1 . 1 133 133 ASP H H 1 8.20532 0.02 . 1 . . . . . 112 ASP H . 50195 1 317 . 1 . 1 133 133 ASP CA C 13 51.64 0.3 . 1 . . . . . 112 ASP CA . 50195 1 318 . 1 . 1 133 133 ASP CB C 13 38.05 0.3 . 1 . . . . . 112 ASP CB . 50195 1 319 . 1 . 1 133 133 ASP N N 15 121.58393 0.3 . 1 . . . . . 112 ASP N . 50195 1 320 . 1 . 1 134 134 ILE H H 1 7.85243 0.02 . 1 . . . . . 113 ILE H . 50195 1 321 . 1 . 1 134 134 ILE CA C 13 58.49 0.3 . 1 . . . . . 113 ILE CA . 50195 1 322 . 1 . 1 134 134 ILE CB C 13 35.77 0.3 . 1 . . . . . 113 ILE CB . 50195 1 323 . 1 . 1 134 134 ILE N N 15 120.23634 0.3 . 1 . . . . . 113 ILE N . 50195 1 324 . 1 . 1 135 135 ASP H H 1 8.24713 0.02 . 1 . . . . . 114 ASP H . 50195 1 325 . 1 . 1 135 135 ASP CA C 13 51.6 0.3 . 1 . . . . . 114 ASP CA . 50195 1 326 . 1 . 1 135 135 ASP CB C 13 38.09 0.3 . 1 . . . . . 114 ASP CB . 50195 1 327 . 1 . 1 135 135 ASP N N 15 123.74264 0.3 . 1 . . . . . 114 ASP N . 50195 1 328 . 1 . 1 136 136 LEU H H 1 8.15865 0.02 . 1 . . . . . 115 LEU H . 50195 1 329 . 1 . 1 136 136 LEU CA C 13 52.541 0.3 . 1 . . . . . 115 LEU CA . 50195 1 330 . 1 . 1 136 136 LEU CB C 13 39.029 0.3 . 1 . . . . . 115 LEU CB . 50195 1 331 . 1 . 1 136 136 LEU N N 15 124.93098 0.3 . 1 . . . . . 115 LEU N . 50195 1 332 . 1 . 1 137 137 VAL H H 1 7.89851 0.02 . 1 . . . . . 116 VAL H . 50195 1 333 . 1 . 1 137 137 VAL CA C 13 59.76 0.3 . 1 . . . . . 116 VAL CA . 50195 1 334 . 1 . 1 137 137 VAL CB C 13 29.19 0.3 . 1 . . . . . 116 VAL CB . 50195 1 335 . 1 . 1 137 137 VAL N N 15 120.53803 0.3 . 1 . . . . . 116 VAL N . 50195 1 336 . 1 . 1 138 138 VAL H H 1 8.08224 0.02 . 1 . . . . . 117 VAL H . 50195 1 337 . 1 . 1 138 138 VAL CA C 13 59.64 0.3 . 1 . . . . . 117 VAL CA . 50195 1 338 . 1 . 1 138 138 VAL CB C 13 29.32 0.3 . 1 . . . . . 117 VAL CB . 50195 1 339 . 1 . 1 138 138 VAL N N 15 124.11174 0.3 . 1 . . . . . 117 VAL N . 50195 1 340 . 1 . 1 139 139 ASP H H 1 8.23339 0.02 . 1 . . . . . 118 ASP H . 50195 1 341 . 1 . 1 139 139 ASP CA C 13 51.37 0.3 . 1 . . . . . 118 ASP CA . 50195 1 342 . 1 . 1 139 139 ASP CB C 13 38.31 0.3 . 1 . . . . . 118 ASP CB . 50195 1 343 . 1 . 1 139 139 ASP N N 15 124.42332 0.3 . 1 . . . . . 118 ASP N . 50195 1 344 . 1 . 1 140 140 ALA H H 1 8.29441 0.02 . 1 . . . . . 119 ALA H . 50195 1 345 . 1 . 1 140 140 ALA CA C 13 50.48 0.3 . 1 . . . . . 119 ALA CA . 50195 1 346 . 1 . 1 140 140 ALA CB C 13 15.91 0.3 . 1 . . . . . 119 ALA CB . 50195 1 347 . 1 . 1 140 140 ALA N N 15 125.89441 0.3 . 1 . . . . . 119 ALA N . 50195 1 348 . 1 . 1 141 141 ASN H H 1 8.34447 0.02 . 1 . . . . . 120 ASN H . 50195 1 349 . 1 . 1 141 141 ASN CA C 13 50.63 0.3 . 1 . . . . . 120 ASN CA . 50195 1 350 . 1 . 1 141 141 ASN CB C 13 36.01 0.3 . 1 . . . . . 120 ASN CB . 50195 1 351 . 1 . 1 141 141 ASN N N 15 116.72016 0.3 . 1 . . . . . 120 ASN N . 50195 1 352 . 1 . 1 142 142 ALA H H 1 7.864 0.02 . 1 . . . . . 121 ALA H . 50195 1 353 . 1 . 1 142 142 ALA CA C 13 49.96 0.3 . 1 . . . . . 121 ALA CA . 50195 1 354 . 1 . 1 142 142 ALA CB C 13 16.04 0.3 . 1 . . . . . 121 ALA CB . 50195 1 355 . 1 . 1 142 142 ALA N N 15 124.012 0.3 . 1 . . . . . 121 ALA N . 50195 1 356 . 1 . 1 143 143 VAL H H 1 7.817 0.02 . 1 . . . . . 122 VAL H . 50195 1 357 . 1 . 1 143 143 VAL CA C 13 59.68 0.3 . 1 . . . . . 122 VAL CA . 50195 1 358 . 1 . 1 143 143 VAL CB C 13 29.22 0.3 . 1 . . . . . 122 VAL CB . 50195 1 359 . 1 . 1 143 143 VAL N N 15 118.768 0.3 . 1 . . . . . 122 VAL N . 50195 1 360 . 1 . 1 144 144 ALA H H 1 8.07137 0.02 . 1 . . . . . 123 ALA H . 50195 1 361 . 1 . 1 144 144 ALA CA C 13 49.58 0.3 . 1 . . . . . 123 ALA CA . 50195 1 362 . 1 . 1 144 144 ALA CB C 13 15.99 0.3 . 1 . . . . . 123 ALA CB . 50195 1 363 . 1 . 1 144 144 ALA N N 15 126.90284 0.3 . 1 . . . . . 123 ALA N . 50195 1 364 . 1 . 1 145 145 TYR H H 1 7.992 0.02 . 1 . . . . . 124 TYR H . 50195 1 365 . 1 . 1 145 145 TYR CA C 13 55.01 0.3 . 1 . . . . . 124 TYR CA . 50195 1 366 . 1 . 1 145 145 TYR CB C 13 35.82 0.3 . 1 . . . . . 124 TYR CB . 50195 1 367 . 1 . 1 145 145 TYR N N 15 119.935 0.3 . 1 . . . . . 124 TYR N . 50195 1 368 . 1 . 1 151 151 LYS H H 1 8.48871 0.02 . 1 . . . . . 130 LYS H . 50195 1 369 . 1 . 1 151 151 LYS CA C 13 53.8 0.3 . 1 . . . . . 130 LYS CA . 50195 1 370 . 1 . 1 151 151 LYS CB C 13 29.95 0.3 . 1 . . . . . 130 LYS CB . 50195 1 371 . 1 . 1 151 151 LYS N N 15 124.73571 0.3 . 1 . . . . . 130 LYS N . 50195 1 372 . 1 . 1 152 152 ASP H H 1 7.933 0.02 . 1 . . . . . 131 ASP H . 50195 1 373 . 1 . 1 152 152 ASP CA C 13 53.567 0.3 . 1 . . . . . 131 ASP CA . 50195 1 374 . 1 . 1 152 152 ASP CB C 13 38.303 0.3 . 1 . . . . . 131 ASP CB . 50195 1 375 . 1 . 1 152 152 ASP N N 15 121.495 0.3 . 1 . . . . . 131 ASP N . 50195 1 376 . 1 . 1 153 153 ILE H H 1 8.06 0.02 . 1 . . . . . 132 ILE H . 50195 1 377 . 1 . 1 153 153 ILE CA C 13 59.72 0.3 . 1 . . . . . 132 ILE CA . 50195 1 378 . 1 . 1 153 153 ILE CB C 13 35.225 0.3 . 1 . . . . . 132 ILE CB . 50195 1 379 . 1 . 1 153 153 ILE N N 15 121.366 0.3 . 1 . . . . . 132 ILE N . 50195 1 380 . 1 . 1 154 154 THR H H 1 8.106 0.02 . 1 . . . . . 133 THR H . 50195 1 381 . 1 . 1 154 154 THR CA C 13 59.515 0.3 . 1 . . . . . 133 THR CA . 50195 1 382 . 1 . 1 154 154 THR CB C 13 66.879 0.3 . 1 . . . . . 133 THR CB . 50195 1 383 . 1 . 1 154 154 THR N N 15 117.431 0.3 . 1 . . . . . 133 THR N . 50195 1 384 . 1 . 1 155 155 ALA H H 1 8.07982 0.02 . 1 . . . . . 134 ALA H . 50195 1 385 . 1 . 1 155 155 ALA CA C 13 49.943 0.3 . 1 . . . . . 134 ALA CA . 50195 1 386 . 1 . 1 155 155 ALA CB C 13 16.083 0.3 . 1 . . . . . 134 ALA CB . 50195 1 387 . 1 . 1 155 155 ALA N N 15 125.87811 0.3 . 1 . . . . . 134 ALA N . 50195 1 388 . 1 . 1 156 156 ASP H H 1 8.239 0.02 . 1 . . . . . 135 ASP H . 50195 1 389 . 1 . 1 156 156 ASP CA C 13 53.28 0.3 . 1 . . . . . 135 ASP CA . 50195 1 390 . 1 . 1 156 156 ASP CB C 13 38.21 0.3 . 1 . . . . . 135 ASP CB . 50195 1 391 . 1 . 1 156 156 ASP N N 15 123.528 0.3 . 1 . . . . . 135 ASP N . 50195 1 392 . 1 . 1 157 157 VAL H H 1 8.05 0.02 . 1 . . . . . 136 VAL H . 50195 1 393 . 1 . 1 157 157 VAL CA C 13 59.74 0.3 . 1 . . . . . 136 VAL CA . 50195 1 394 . 1 . 1 157 157 VAL CB C 13 29.43 0.3 . 1 . . . . . 136 VAL CB . 50195 1 395 . 1 . 1 157 157 VAL N N 15 121.496 0.3 . 1 . . . . . 136 VAL N . 50195 1 396 . 1 . 1 158 158 LEU H H 1 8.04967 0.02 . 1 . . . . . 137 LEU H . 50195 1 397 . 1 . 1 158 158 LEU CA C 13 52.79 0.3 . 1 . . . . . 137 LEU CA . 50195 1 398 . 1 . 1 158 158 LEU CB C 13 38.6 0.3 . 1 . . . . . 137 LEU CB . 50195 1 399 . 1 . 1 158 158 LEU N N 15 123.82035 0.3 . 1 . . . . . 137 LEU N . 50195 1 400 . 1 . 1 159 159 LYS H H 1 7.95035 0.02 . 1 . . . . . 138 LYS H . 50195 1 401 . 1 . 1 159 159 LYS CA C 13 53.33 0.3 . 1 . . . . . 138 LYS CA . 50195 1 402 . 1 . 1 159 159 LYS CB C 13 29.36 0.3 . 1 . . . . . 138 LYS CB . 50195 1 403 . 1 . 1 159 159 LYS N N 15 121.57076 0.3 . 1 . . . . . 138 LYS N . 50195 1 404 . 1 . 1 161 161 VAL H H 1 8.0639 0.02 . 1 . . . . . 140 VAL H . 50195 1 405 . 1 . 1 161 161 VAL CA C 13 59.78 0.3 . 1 . . . . . 140 VAL CA . 50195 1 406 . 1 . 1 161 161 VAL CB C 13 29.29 0.3 . 1 . . . . . 140 VAL CB . 50195 1 407 . 1 . 1 161 161 VAL N N 15 122.26909 0.3 . 1 . . . . . 140 VAL N . 50195 1 408 . 1 . 1 162 162 LYS H H 1 7.84445 0.02 . 1 . . . . . 141 LYS H . 50195 1 409 . 1 . 1 162 162 LYS CA C 13 54.91 0.3 . 1 . . . . . 141 LYS CA . 50195 1 410 . 1 . 1 162 162 LYS CB C 13 30.49 0.3 . 1 . . . . . 141 LYS CB . 50195 1 411 . 1 . 1 162 162 LYS N N 15 130.40038 0.3 . 1 . . . . . 141 LYS N . 50195 1 stop_ save_