data_52623 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52623 _Entry.Title ; Backbone resonance assignment for the N-terminal region of Zika virus NS4B in detergent micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-10-01 _Entry.Accession_date 2024-10-01 _Entry.Last_release_date 2024-10-01 _Entry.Original_release_date 2024-10-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment of the N-terminal region of the N-terminal region of Zika virus non-structural protein NS4B in micelles' _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 Yan Li . . . . 52623 2 'Ying Ru' Loh . . . . 52623 3 Congbao Kang . . . . 52623 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52623 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 52623 '15N chemical shifts' 121 52623 '1H chemical shifts' 121 52623 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-01-09 . original BMRB . 52623 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52623 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39505821 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone resonance assignment of the N-terminal region of Zika virus NS4B protein in detergent micelles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2024 _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 Yan Li Y. . . . 52623 1 2 'Ying Ru' Loh Y. R. . . 52623 1 3 Qingxin Li Q. . . . 52623 1 4 Dahai Luo D. . . . 52623 1 5 CongBao Kang C. . . . 52623 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Zika virus; membrne protein; structure; NMR; drug discovery; NS4B' 52623 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52623 _Assembly.ID 1 _Assembly.Name NS4B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NS4B 1 $entity_1 . . yes native no no . . . 52623 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52623 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MNELGWLERTKSDLSHLMGR REEGATIGFSMDIDLRPASA WAIYAALTTFITPAVQHAVT TSYNNYSLMAMATQAGVLFG MGKGMPFYAWDFGVPLLMIG CYSQLTPLTLIVAIILLVAH YMYLIPGLQAAAARAAQKRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'M(-20) N (1)E(2)' _Entity.Polymer_author_seq_details 'MGSSHHHHHHSSGLVPRGSHM, is fusion tag, which is not assigned.' _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 free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 52623 1 2 -19 GLY . 52623 1 3 -18 SER . 52623 1 4 -17 SER . 52623 1 5 -16 HIS . 52623 1 6 -15 HIS . 52623 1 7 -14 HIS . 52623 1 8 -13 HIS . 52623 1 9 -12 HIS . 52623 1 10 -11 HIS . 52623 1 11 -10 SER . 52623 1 12 -9 SER . 52623 1 13 -8 GLY . 52623 1 14 -7 LEU . 52623 1 15 -6 VAL . 52623 1 16 -5 PRO . 52623 1 17 -4 ARG . 52623 1 18 -3 GLY . 52623 1 19 -2 SER . 52623 1 20 -1 HIS . 52623 1 21 0 MET . 52623 1 22 1 ASN . 52623 1 23 2 GLU . 52623 1 24 3 LEU . 52623 1 25 4 GLY . 52623 1 26 5 TRP . 52623 1 27 6 LEU . 52623 1 28 7 GLU . 52623 1 29 8 ARG . 52623 1 30 9 THR . 52623 1 31 10 LYS . 52623 1 32 11 SER . 52623 1 33 12 ASP . 52623 1 34 13 LEU . 52623 1 35 14 SER . 52623 1 36 15 HIS . 52623 1 37 16 LEU . 52623 1 38 17 MET . 52623 1 39 18 GLY . 52623 1 40 19 ARG . 52623 1 41 20 ARG . 52623 1 42 21 GLU . 52623 1 43 22 GLU . 52623 1 44 23 GLY . 52623 1 45 24 ALA . 52623 1 46 25 THR . 52623 1 47 26 ILE . 52623 1 48 27 GLY . 52623 1 49 28 PHE . 52623 1 50 29 SER . 52623 1 51 30 MET . 52623 1 52 31 ASP . 52623 1 53 32 ILE . 52623 1 54 33 ASP . 52623 1 55 34 LEU . 52623 1 56 35 ARG . 52623 1 57 36 PRO . 52623 1 58 37 ALA . 52623 1 59 38 SER . 52623 1 60 39 ALA . 52623 1 61 40 TRP . 52623 1 62 41 ALA . 52623 1 63 42 ILE . 52623 1 64 43 TYR . 52623 1 65 44 ALA . 52623 1 66 45 ALA . 52623 1 67 46 LEU . 52623 1 68 47 THR . 52623 1 69 48 THR . 52623 1 70 49 PHE . 52623 1 71 50 ILE . 52623 1 72 51 THR . 52623 1 73 52 PRO . 52623 1 74 53 ALA . 52623 1 75 54 VAL . 52623 1 76 55 GLN . 52623 1 77 56 HIS . 52623 1 78 57 ALA . 52623 1 79 58 VAL . 52623 1 80 59 THR . 52623 1 81 60 THR . 52623 1 82 61 SER . 52623 1 83 62 TYR . 52623 1 84 63 ASN . 52623 1 85 64 ASN . 52623 1 86 65 TYR . 52623 1 87 66 SER . 52623 1 88 67 LEU . 52623 1 89 68 MET . 52623 1 90 69 ALA . 52623 1 91 70 MET . 52623 1 92 71 ALA . 52623 1 93 72 THR . 52623 1 94 73 GLN . 52623 1 95 74 ALA . 52623 1 96 75 GLY . 52623 1 97 76 VAL . 52623 1 98 77 LEU . 52623 1 99 78 PHE . 52623 1 100 79 GLY . 52623 1 101 80 MET . 52623 1 102 81 GLY . 52623 1 103 82 LYS . 52623 1 104 83 GLY . 52623 1 105 84 MET . 52623 1 106 85 PRO . 52623 1 107 86 PHE . 52623 1 108 87 TYR . 52623 1 109 88 ALA . 52623 1 110 89 TRP . 52623 1 111 90 ASP . 52623 1 112 91 PHE . 52623 1 113 92 GLY . 52623 1 114 93 VAL . 52623 1 115 94 PRO . 52623 1 116 95 LEU . 52623 1 117 96 LEU . 52623 1 118 97 MET . 52623 1 119 98 ILE . 52623 1 120 99 GLY . 52623 1 121 100 CYS . 52623 1 122 101 TYR . 52623 1 123 102 SER . 52623 1 124 103 GLN . 52623 1 125 104 LEU . 52623 1 126 105 THR . 52623 1 127 106 PRO . 52623 1 128 107 LEU . 52623 1 129 108 THR . 52623 1 130 109 LEU . 52623 1 131 110 ILE . 52623 1 132 111 VAL . 52623 1 133 112 ALA . 52623 1 134 113 ILE . 52623 1 135 114 ILE . 52623 1 136 115 LEU . 52623 1 137 116 LEU . 52623 1 138 117 VAL . 52623 1 139 118 ALA . 52623 1 140 119 HIS . 52623 1 141 120 TYR . 52623 1 142 121 MET . 52623 1 143 122 TYR . 52623 1 144 123 LEU . 52623 1 145 124 ILE . 52623 1 146 125 PRO . 52623 1 147 126 GLY . 52623 1 148 127 LEU . 52623 1 149 128 GLN . 52623 1 150 129 ALA . 52623 1 151 130 ALA . 52623 1 152 131 ALA . 52623 1 153 132 ALA . 52623 1 154 133 ARG . 52623 1 155 134 ALA . 52623 1 156 135 ALA . 52623 1 157 136 GLN . 52623 1 158 137 LYS . 52623 1 159 138 ARG . 52623 1 160 139 THR . 52623 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 52623 1 . GLY 2 2 52623 1 . SER 3 3 52623 1 . SER 4 4 52623 1 . HIS 5 5 52623 1 . HIS 6 6 52623 1 . HIS 7 7 52623 1 . HIS 8 8 52623 1 . HIS 9 9 52623 1 . HIS 10 10 52623 1 . SER 11 11 52623 1 . SER 12 12 52623 1 . GLY 13 13 52623 1 . LEU 14 14 52623 1 . VAL 15 15 52623 1 . PRO 16 16 52623 1 . ARG 17 17 52623 1 . GLY 18 18 52623 1 . SER 19 19 52623 1 . HIS 20 20 52623 1 . MET 21 21 52623 1 . ASN 22 22 52623 1 . GLU 23 23 52623 1 . LEU 24 24 52623 1 . GLY 25 25 52623 1 . TRP 26 26 52623 1 . LEU 27 27 52623 1 . GLU 28 28 52623 1 . ARG 29 29 52623 1 . THR 30 30 52623 1 . LYS 31 31 52623 1 . SER 32 32 52623 1 . ASP 33 33 52623 1 . LEU 34 34 52623 1 . SER 35 35 52623 1 . HIS 36 36 52623 1 . LEU 37 37 52623 1 . MET 38 38 52623 1 . GLY 39 39 52623 1 . ARG 40 40 52623 1 . ARG 41 41 52623 1 . GLU 42 42 52623 1 . GLU 43 43 52623 1 . GLY 44 44 52623 1 . ALA 45 45 52623 1 . THR 46 46 52623 1 . ILE 47 47 52623 1 . GLY 48 48 52623 1 . PHE 49 49 52623 1 . SER 50 50 52623 1 . MET 51 51 52623 1 . ASP 52 52 52623 1 . ILE 53 53 52623 1 . ASP 54 54 52623 1 . LEU 55 55 52623 1 . ARG 56 56 52623 1 . PRO 57 57 52623 1 . ALA 58 58 52623 1 . SER 59 59 52623 1 . ALA 60 60 52623 1 . TRP 61 61 52623 1 . ALA 62 62 52623 1 . ILE 63 63 52623 1 . TYR 64 64 52623 1 . ALA 65 65 52623 1 . ALA 66 66 52623 1 . LEU 67 67 52623 1 . THR 68 68 52623 1 . THR 69 69 52623 1 . PHE 70 70 52623 1 . ILE 71 71 52623 1 . THR 72 72 52623 1 . PRO 73 73 52623 1 . ALA 74 74 52623 1 . VAL 75 75 52623 1 . GLN 76 76 52623 1 . HIS 77 77 52623 1 . ALA 78 78 52623 1 . VAL 79 79 52623 1 . THR 80 80 52623 1 . THR 81 81 52623 1 . SER 82 82 52623 1 . TYR 83 83 52623 1 . ASN 84 84 52623 1 . ASN 85 85 52623 1 . TYR 86 86 52623 1 . SER 87 87 52623 1 . LEU 88 88 52623 1 . MET 89 89 52623 1 . ALA 90 90 52623 1 . MET 91 91 52623 1 . ALA 92 92 52623 1 . THR 93 93 52623 1 . GLN 94 94 52623 1 . ALA 95 95 52623 1 . GLY 96 96 52623 1 . VAL 97 97 52623 1 . LEU 98 98 52623 1 . PHE 99 99 52623 1 . GLY 100 100 52623 1 . MET 101 101 52623 1 . GLY 102 102 52623 1 . LYS 103 103 52623 1 . GLY 104 104 52623 1 . MET 105 105 52623 1 . PRO 106 106 52623 1 . PHE 107 107 52623 1 . TYR 108 108 52623 1 . ALA 109 109 52623 1 . TRP 110 110 52623 1 . ASP 111 111 52623 1 . PHE 112 112 52623 1 . GLY 113 113 52623 1 . VAL 114 114 52623 1 . PRO 115 115 52623 1 . LEU 116 116 52623 1 . LEU 117 117 52623 1 . MET 118 118 52623 1 . ILE 119 119 52623 1 . GLY 120 120 52623 1 . CYS 121 121 52623 1 . TYR 122 122 52623 1 . SER 123 123 52623 1 . GLN 124 124 52623 1 . LEU 125 125 52623 1 . THR 126 126 52623 1 . PRO 127 127 52623 1 . LEU 128 128 52623 1 . THR 129 129 52623 1 . LEU 130 130 52623 1 . ILE 131 131 52623 1 . VAL 132 132 52623 1 . ALA 133 133 52623 1 . ILE 134 134 52623 1 . ILE 135 135 52623 1 . LEU 136 136 52623 1 . LEU 137 137 52623 1 . VAL 138 138 52623 1 . ALA 139 139 52623 1 . HIS 140 140 52623 1 . TYR 141 141 52623 1 . MET 142 142 52623 1 . TYR 143 143 52623 1 . LEU 144 144 52623 1 . ILE 145 145 52623 1 . PRO 146 146 52623 1 . GLY 147 147 52623 1 . LEU 148 148 52623 1 . GLN 149 149 52623 1 . ALA 150 150 52623 1 . ALA 151 151 52623 1 . ALA 152 152 52623 1 . ALA 153 153 52623 1 . ARG 154 154 52623 1 . ALA 155 155 52623 1 . ALA 156 156 52623 1 . GLN 157 157 52623 1 . LYS 158 158 52623 1 . ARG 159 159 52623 1 . THR 160 160 52623 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 52623 _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 . 64320 organism . 'Zika virus' 'Zika virus' . . Viruses . Orthoflavivirus zikaense . . . . . . . . . . . . . 52623 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 52623 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET15b . . . 52623 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52623 _Sample.ID 1 _Sample.Name 'NS4B NTD-triple' _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C and 2H labeled NS4B NTD in LMPG micelles' _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 'NS4B NTD' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.6 0.4 0.8 mM 0.05 . . . 52623 1 2 '15N NS4B NTD' '[U-100% 15N]' . . 1 $entity_1 . . 0.55 0.3 0.8 mM 0.05 . . . 52623 1 3 '13Cj 15N NS4B NTD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.55 0.3 0.8 mM 0.05 . . . 52623 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52623 1 5 LMPG 'natural abundance' . . . . . . 0.9 0.6 1.2 % . . . . 52623 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 52623 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'zNS4B NTD' _Sample_condition_list.Details 'it was prepared in the buffer containing 20 mM sodium phosphate, 0.6-1.2% LMPG, pH6.5' 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' 0.02 . M 52623 1 pH 6.5 . pH 52623 1 pressure 1 . atm 52623 1 temperature 313 . K 52623 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52623 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52623 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52623 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52623 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52623 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52623 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52623 _Software.ID 4 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52623 4 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 52623 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700MHz _NMR_spectrometer.Details 'Bruker 700MHz with a cryo probe' _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 52623 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52623 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52623 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52623 1 4 '3D HNCOCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52623 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52623 1 6 '3D HNCACO' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52623 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 52623 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 52623 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52623 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 52623 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 52623 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NS4B NTD' _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 0.2 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 52623 1 2 '3D HNCACB' . . . 52623 1 3 '3D HNCA' . . . 52623 1 5 '3D HNCO' . . . 52623 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 3 $software_3 . . 52623 1 4 $software_4 . . 52623 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 ASN H H 1 8.2816 0.2 . 1 . . . . . 1 ASN H . 52623 1 2 . 1 . 1 22 22 ASN C C 13 175.7812 0.3 . 1 . . . . . 1 ASN C . 52623 1 3 . 1 . 1 22 22 ASN CA C 13 53.7811 0.3 . 1 . . . . . 1 ASN CA . 52623 1 4 . 1 . 1 22 22 ASN CB C 13 37.7563 0.3 . 1 . . . . . 1 ASN CB . 52623 1 5 . 1 . 1 22 22 ASN N N 15 118.1656 0.3 . 1 . . . . . 1 ASN N . 52623 1 6 . 1 . 1 23 23 GLU H H 1 8.2316 0.2 . 1 . . . . . 2 GLU H . 52623 1 7 . 1 . 1 23 23 GLU C C 13 176.6373 0.3 . 1 . . . . . 2 GLU C . 52623 1 8 . 1 . 1 23 23 GLU CA C 13 57.1927 0.3 . 1 . . . . . 2 GLU CA . 52623 1 9 . 1 . 1 23 23 GLU CB C 13 28.6431 0.3 . 1 . . . . . 2 GLU CB . 52623 1 10 . 1 . 1 23 23 GLU N N 15 120.5556 0.3 . 1 . . . . . 2 GLU N . 52623 1 11 . 1 . 1 24 24 LEU H H 1 7.9016 0.2 . 1 . . . . . 3 LEU H . 52623 1 12 . 1 . 1 24 24 LEU C C 13 178.5904 0.3 . 1 . . . . . 3 LEU C . 52623 1 13 . 1 . 1 24 24 LEU CA C 13 55.2866 0.3 . 1 . . . . . 3 LEU CA . 52623 1 14 . 1 . 1 24 24 LEU CB C 13 41.8857 0.3 . 1 . . . . . 3 LEU CB . 52623 1 15 . 1 . 1 24 24 LEU N N 15 120.5556 0.3 . 1 . . . . . 3 LEU N . 52623 1 16 . 1 . 1 25 25 GLY H H 1 8.3316 0.2 . 1 . . . . . 4 GLY H . 52623 1 17 . 1 . 1 25 25 GLY C C 13 175.9911 0.3 . 1 . . . . . 4 GLY C . 52623 1 18 . 1 . 1 25 25 GLY CA C 13 46.4699 0.3 . 1 . . . . . 4 GLY CA . 52623 1 19 . 1 . 1 25 25 GLY N N 15 110.4356 0.3 . 1 . . . . . 4 GLY N . 52623 1 20 . 1 . 1 26 26 TRP H H 1 7.9216 0.2 . 1 . . . . . 5 TRP H . 52623 1 21 . 1 . 1 26 26 TRP CA C 13 59.2802 0.3 . 1 . . . . . 5 TRP CA . 52623 1 22 . 1 . 1 26 26 TRP CB C 13 28.5820 0.3 . 1 . . . . . 5 TRP CB . 52623 1 23 . 1 . 1 26 26 TRP N N 15 121.2156 0.3 . 1 . . . . . 5 TRP N . 52623 1 24 . 1 . 1 27 27 LEU H H 1 7.5716 0.2 . 1 . . . . . 6 LEU H . 52623 1 25 . 1 . 1 27 27 LEU CA C 13 57.7119 0.3 . 1 . . . . . 6 LEU CA . 52623 1 26 . 1 . 1 27 27 LEU CB C 13 40.4302 0.3 . 1 . . . . . 6 LEU CB . 52623 1 27 . 1 . 1 27 27 LEU N N 15 123.8956 0.3 . 1 . . . . . 6 LEU N . 52623 1 28 . 1 . 1 28 28 GLU H H 1 7.9016 0.2 . 1 . . . . . 7 GLU H . 52623 1 29 . 1 . 1 28 28 GLU C C 13 178.7669 0.3 . 1 . . . . . 7 GLU C . 52623 1 30 . 1 . 1 28 28 GLU CA C 13 59.0023 0.3 . 1 . . . . . 7 GLU CA . 52623 1 31 . 1 . 1 28 28 GLU CB C 13 28.3070 0.3 . 1 . . . . . 7 GLU CB . 52623 1 32 . 1 . 1 28 28 GLU N N 15 119.5756 0.3 . 1 . . . . . 7 GLU N . 52623 1 33 . 1 . 1 29 29 ARG H H 1 7.9316 0.2 . 1 . . . . . 8 ARG H . 52623 1 34 . 1 . 1 29 29 ARG C C 13 178.0330 0.3 . 1 . . . . . 8 ARG C . 52623 1 35 . 1 . 1 29 29 ARG CA C 13 58.3068 0.3 . 1 . . . . . 8 ARG CA . 52623 1 36 . 1 . 1 29 29 ARG CB C 13 28.8941 0.3 . 1 . . . . . 8 ARG CB . 52623 1 37 . 1 . 1 29 29 ARG N N 15 120.0056 0.3 . 1 . . . . . 8 ARG N . 52623 1 38 . 1 . 1 30 30 THR H H 1 7.8516 0.2 . 1 . . . . . 9 THR H . 52623 1 39 . 1 . 1 30 30 THR C C 13 176.0136 0.3 . 1 . . . . . 9 THR C . 52623 1 40 . 1 . 1 30 30 THR CA C 13 66.6415 0.3 . 1 . . . . . 9 THR CA . 52623 1 41 . 1 . 1 30 30 THR CB C 13 67.8898 0.3 . 1 . . . . . 9 THR CB . 52623 1 42 . 1 . 1 30 30 THR N N 15 116.8956 0.3 . 1 . . . . . 9 THR N . 52623 1 43 . 1 . 1 31 31 LYS H H 1 8.1416 0.2 . 1 . . . . . 10 LYS H . 52623 1 44 . 1 . 1 31 31 LYS C C 13 178.4594 0.3 . 1 . . . . . 10 LYS C . 52623 1 45 . 1 . 1 31 31 LYS CA C 13 59.9644 0.3 . 1 . . . . . 10 LYS CA . 52623 1 46 . 1 . 1 31 31 LYS CB C 13 31.2314 0.3 . 1 . . . . . 10 LYS CB . 52623 1 47 . 1 . 1 31 31 LYS N N 15 121.1056 0.3 . 1 . . . . . 10 LYS N . 52623 1 48 . 1 . 1 32 32 SER H H 1 7.7616 0.2 . 1 . . . . . 11 SER H . 52623 1 49 . 1 . 1 32 32 SER C C 13 177.1258 0.3 . 1 . . . . . 11 SER C . 52623 1 50 . 1 . 1 32 32 SER CA C 13 60.8796 0.3 . 1 . . . . . 11 SER CA . 52623 1 51 . 1 . 1 32 32 SER CB C 13 62.2970 0.3 . 1 . . . . . 11 SER CB . 52623 1 52 . 1 . 1 32 32 SER N N 15 114.9256 0.3 . 1 . . . . . 11 SER N . 52623 1 53 . 1 . 1 33 33 ASP H H 1 8.3716 0.2 . 1 . . . . . 12 ASP H . 52623 1 54 . 1 . 1 33 33 ASP CA C 13 57.1314 0.3 . 1 . . . . . 12 ASP CA . 52623 1 55 . 1 . 1 33 33 ASP CB C 13 38.6975 0.3 . 1 . . . . . 12 ASP CB . 52623 1 56 . 1 . 1 33 33 ASP N N 15 123.0756 0.3 . 1 . . . . . 12 ASP N . 52623 1 57 . 1 . 1 34 34 LEU H H 1 8.3016 0.2 . 1 . . . . . 13 LEU H . 52623 1 58 . 1 . 1 34 34 LEU C C 13 178.6434 0.3 . 1 . . . . . 13 LEU C . 52623 1 59 . 1 . 1 34 34 LEU CA C 13 57.3065 0.3 . 1 . . . . . 13 LEU CA . 52623 1 60 . 1 . 1 34 34 LEU CB C 13 40.5338 0.3 . 1 . . . . . 13 LEU CB . 52623 1 61 . 1 . 1 34 34 LEU N N 15 120.3356 0.3 . 1 . . . . . 13 LEU N . 52623 1 62 . 1 . 1 35 35 SER H H 1 8.0216 0.2 . 1 . . . . . 14 SER H . 52623 1 63 . 1 . 1 35 35 SER C C 13 176.7985 0.3 . 1 . . . . . 14 SER C . 52623 1 64 . 1 . 1 35 35 SER CA C 13 61.3622 0.3 . 1 . . . . . 14 SER CA . 52623 1 65 . 1 . 1 35 35 SER CB C 13 62.6478 0.3 . 1 . . . . . 14 SER CB . 52623 1 66 . 1 . 1 35 35 SER N N 15 114.4856 0.3 . 1 . . . . . 14 SER N . 52623 1 67 . 1 . 1 36 36 HIS H H 1 7.8216 0.2 . 1 . . . . . 15 HIS H . 52623 1 68 . 1 . 1 36 36 HIS C C 13 176.7947 0.3 . 1 . . . . . 15 HIS C . 52623 1 69 . 1 . 1 36 36 HIS CA C 13 57.2373 0.3 . 1 . . . . . 15 HIS CA . 52623 1 70 . 1 . 1 36 36 HIS CB C 13 27.5392 0.3 . 1 . . . . . 15 HIS CB . 52623 1 71 . 1 . 1 36 36 HIS N N 15 119.2456 0.3 . 1 . . . . . 15 HIS N . 52623 1 72 . 1 . 1 37 37 LEU H H 1 7.8416 0.2 . 1 . . . . . 16 LEU H . 52623 1 73 . 1 . 1 37 37 LEU C C 13 177.8022 0.3 . 1 . . . . . 16 LEU C . 52623 1 74 . 1 . 1 37 37 LEU CA C 13 57.0976 0.3 . 1 . . . . . 16 LEU CA . 52623 1 75 . 1 . 1 37 37 LEU CB C 13 41.3610 0.3 . 1 . . . . . 16 LEU CB . 52623 1 76 . 1 . 1 37 37 LEU N N 15 120.8056 0.3 . 1 . . . . . 16 LEU N . 52623 1 77 . 1 . 1 38 38 MET H H 1 7.7716 0.2 . 1 . . . . . 17 MET H . 52623 1 78 . 1 . 1 38 38 MET C C 13 177.1116 0.3 . 1 . . . . . 17 MET C . 52623 1 79 . 1 . 1 38 38 MET CA C 13 55.9878 0.3 . 1 . . . . . 17 MET CA . 52623 1 80 . 1 . 1 38 38 MET N N 15 115.2356 0.3 . 1 . . . . . 17 MET N . 52623 1 81 . 1 . 1 39 39 GLY H H 1 7.7216 0.2 . 1 . . . . . 18 GLY H . 52623 1 82 . 1 . 1 39 39 GLY C C 13 174.3634 0.3 . 1 . . . . . 18 GLY C . 52623 1 83 . 1 . 1 39 39 GLY CA C 13 45.3008 0.3 . 1 . . . . . 18 GLY CA . 52623 1 84 . 1 . 1 39 39 GLY N N 15 107.4256 0.3 . 1 . . . . . 18 GLY N . 52623 1 85 . 1 . 1 40 40 ARG H H 1 7.8416 0.2 . 1 . . . . . 19 ARG H . 52623 1 86 . 1 . 1 40 40 ARG CA C 13 56.1614 0.3 . 1 . . . . . 19 ARG CA . 52623 1 87 . 1 . 1 40 40 ARG CB C 13 28.1211 0.3 . 1 . . . . . 19 ARG CB . 52623 1 88 . 1 . 1 40 40 ARG N N 15 120.5956 0.3 . 1 . . . . . 19 ARG N . 52623 1 89 . 1 . 1 41 41 ARG H H 1 8.0416 0.2 . 1 . . . . . 20 ARG H . 52623 1 90 . 1 . 1 41 41 ARG C C 13 176.5375 0.3 . 1 . . . . . 20 ARG C . 52623 1 91 . 1 . 1 41 41 ARG CA C 13 56.1073 0.3 . 1 . . . . . 20 ARG CA . 52623 1 92 . 1 . 1 41 41 ARG CB C 13 29.7520 0.3 . 1 . . . . . 20 ARG CB . 52623 1 93 . 1 . 1 41 41 ARG N N 15 122.1956 0.3 . 1 . . . . . 20 ARG N . 52623 1 94 . 1 . 1 42 42 GLU H H 1 8.2916 0.2 . 1 . . . . . 21 GLU H . 52623 1 95 . 1 . 1 42 42 GLU CA C 13 56.4389 0.3 . 1 . . . . . 21 GLU CA . 52623 1 96 . 1 . 1 42 42 GLU CB C 13 29.2928 0.3 . 1 . . . . . 21 GLU CB . 52623 1 97 . 1 . 1 42 42 GLU N N 15 121.9756 0.3 . 1 . . . . . 21 GLU N . 52623 1 98 . 1 . 1 43 43 GLU H H 1 8.1716 0.2 . 1 . . . . . 22 GLU H . 52623 1 99 . 1 . 1 43 43 GLU C C 13 177.0017 0.3 . 1 . . . . . 22 GLU C . 52623 1 100 . 1 . 1 43 43 GLU CA C 13 56.5736 0.3 . 1 . . . . . 22 GLU CA . 52623 1 101 . 1 . 1 43 43 GLU CB C 13 28.8612 0.3 . 1 . . . . . 22 GLU CB . 52623 1 102 . 1 . 1 43 43 GLU N N 15 120.9756 0.3 . 1 . . . . . 22 GLU N . 52623 1 103 . 1 . 1 44 44 GLY H H 1 8.2216 0.2 . 1 . . . . . 23 GLY H . 52623 1 104 . 1 . 1 44 44 GLY C C 13 173.8199 0.3 . 1 . . . . . 23 GLY C . 52623 1 105 . 1 . 1 44 44 GLY CA C 13 45.0330 0.3 . 1 . . . . . 23 GLY CA . 52623 1 106 . 1 . 1 44 44 GLY N N 15 110.4956 0.3 . 1 . . . . . 23 GLY N . 52623 1 107 . 1 . 1 45 45 ALA H H 1 7.8016 0.2 . 1 . . . . . 24 ALA H . 52623 1 108 . 1 . 1 45 45 ALA C C 13 177.5108 0.3 . 1 . . . . . 24 ALA C . 52623 1 109 . 1 . 1 45 45 ALA CA C 13 51.9458 0.3 . 1 . . . . . 24 ALA CA . 52623 1 110 . 1 . 1 45 45 ALA CB C 13 18.5847 0.3 . 1 . . . . . 24 ALA CB . 52623 1 111 . 1 . 1 45 45 ALA N N 15 123.8956 0.3 . 1 . . . . . 24 ALA N . 52623 1 112 . 1 . 1 46 46 THR H H 1 8.0116 0.2 . 1 . . . . . 25 THR H . 52623 1 113 . 1 . 1 46 46 THR C C 13 174.5152 0.3 . 1 . . . . . 25 THR C . 52623 1 114 . 1 . 1 46 46 THR CA C 13 61.3622 0.3 . 1 . . . . . 25 THR CA . 52623 1 115 . 1 . 1 46 46 THR CB C 13 69.4733 0.3 . 1 . . . . . 25 THR CB . 52623 1 116 . 1 . 1 46 46 THR N N 15 114.3356 0.3 . 1 . . . . . 25 THR N . 52623 1 117 . 1 . 1 47 47 ILE H H 1 8.0016 0.2 . 1 . . . . . 26 ILE H . 52623 1 118 . 1 . 1 47 47 ILE C C 13 175.6724 0.3 . 1 . . . . . 26 ILE C . 52623 1 119 . 1 . 1 47 47 ILE CA C 13 60.7141 0.3 . 1 . . . . . 26 ILE CA . 52623 1 120 . 1 . 1 47 47 ILE CB C 13 38.1324 0.3 . 1 . . . . . 26 ILE CB . 52623 1 121 . 1 . 1 47 47 ILE N N 15 122.1456 0.3 . 1 . . . . . 26 ILE N . 52623 1 122 . 1 . 1 48 48 GLY H H 1 8.0016 0.2 . 1 . . . . . 27 GLY H . 52623 1 123 . 1 . 1 48 48 GLY CA C 13 44.8777 0.3 . 1 . . . . . 27 GLY CA . 52623 1 124 . 1 . 1 48 48 GLY N N 15 111.4356 0.3 . 1 . . . . . 27 GLY N . 52623 1 125 . 1 . 1 49 49 PHE H H 1 7.6916 0.2 . 1 . . . . . 28 PHE H . 52623 1 126 . 1 . 1 49 49 PHE C C 13 178.7349 0.3 . 1 . . . . . 28 PHE C . 52623 1 127 . 1 . 1 49 49 PHE CA C 13 56.8137 0.3 . 1 . . . . . 28 PHE CA . 52623 1 128 . 1 . 1 49 49 PHE CB C 13 38.00 0.3 . 1 . . . . . 28 PHE CB . 52623 1 129 . 1 . 1 49 49 PHE N N 15 119.6156 0.3 . 1 . . . . . 28 PHE N . 52623 1 130 . 1 . 1 50 50 SER H H 1 7.9716 0.2 . 1 . . . . . 29 SER H . 52623 1 131 . 1 . 1 50 50 SER CA C 13 57.3111 0.3 . 1 . . . . . 29 SER CA . 52623 1 132 . 1 . 1 50 50 SER CB C 13 63.5737 0.3 . 1 . . . . . 29 SER CB . 52623 1 133 . 1 . 1 50 50 SER N N 15 117.6756 0.3 . 1 . . . . . 29 SER N . 52623 1 134 . 1 . 1 51 51 MET H H 1 7.9416 0.2 . 1 . . . . . 30 MET H . 52623 1 135 . 1 . 1 51 51 MET C C 13 174.8853 0.3 . 1 . . . . . 30 MET C . 52623 1 136 . 1 . 1 51 51 MET CA C 13 54.8552 0.3 . 1 . . . . . 30 MET CA . 52623 1 137 . 1 . 1 51 51 MET CB C 13 32.8846 0.3 . 1 . . . . . 30 MET CB . 52623 1 138 . 1 . 1 51 51 MET N N 15 121.8656 0.3 . 1 . . . . . 30 MET N . 52623 1 139 . 1 . 1 52 52 ASP H H 1 8.1816 0.2 . 1 . . . . . 31 ASP H . 52623 1 140 . 1 . 1 52 52 ASP C C 13 175.2042 0.3 . 1 . . . . . 31 ASP C . 52623 1 141 . 1 . 1 52 52 ASP CA C 13 53.4858 0.3 . 1 . . . . . 31 ASP CA . 52623 1 142 . 1 . 1 52 52 ASP CB C 13 39.8468 0.3 . 1 . . . . . 31 ASP CB . 52623 1 143 . 1 . 1 52 52 ASP N N 15 122.3656 0.3 . 1 . . . . . 31 ASP N . 52623 1 144 . 1 . 1 53 53 ILE H H 1 7.5816 0.2 . 1 . . . . . 32 ILE H . 52623 1 145 . 1 . 1 53 53 ILE C C 13 174.5505 0.3 . 1 . . . . . 32 ILE C . 52623 1 146 . 1 . 1 53 53 ILE CA C 13 59.9879 0.3 . 1 . . . . . 32 ILE CA . 52623 1 147 . 1 . 1 53 53 ILE CB C 13 39.1010 0.3 . 1 . . . . . 32 ILE CB . 52623 1 148 . 1 . 1 53 53 ILE N N 15 120.3356 0.3 . 1 . . . . . 32 ILE N . 52623 1 149 . 1 . 1 54 54 ASP H H 1 8.1716 0.2 . 1 . . . . . 33 ASP H . 52623 1 150 . 1 . 1 54 54 ASP C C 13 175.2934 0.3 . 1 . . . . . 33 ASP C . 52623 1 151 . 1 . 1 54 54 ASP CA C 13 53.0932 0.3 . 1 . . . . . 33 ASP CA . 52623 1 152 . 1 . 1 54 54 ASP CB C 13 40.2164 0.3 . 1 . . . . . 33 ASP CB . 52623 1 153 . 1 . 1 54 54 ASP N N 15 125.0456 0.3 . 1 . . . . . 33 ASP N . 52623 1 154 . 1 . 1 55 55 LEU H H 1 7.9516 0.2 . 1 . . . . . 34 LEU H . 52623 1 155 . 1 . 1 55 55 LEU C C 13 175.7448 0.3 . 1 . . . . . 34 LEU C . 52623 1 156 . 1 . 1 55 55 LEU CA C 13 54.1279 0.3 . 1 . . . . . 34 LEU CA . 52623 1 157 . 1 . 1 55 55 LEU CB C 13 41.1662 0.3 . 1 . . . . . 34 LEU CB . 52623 1 158 . 1 . 1 55 55 LEU N N 15 124.1156 0.3 . 1 . . . . . 34 LEU N . 52623 1 159 . 1 . 1 56 56 ARG H H 1 8.0016 0.2 . 1 . . . . . 35 ARG H . 52623 1 160 . 1 . 1 56 56 ARG CA C 13 54.0886 0.3 . 1 . . . . . 35 ARG CA . 52623 1 161 . 1 . 1 56 56 ARG CB C 13 28.8874 0.3 . 1 . . . . . 35 ARG CB . 52623 1 162 . 1 . 1 56 56 ARG N N 15 121.4256 0.3 . 1 . . . . . 35 ARG N . 52623 1 163 . 1 . 1 58 58 ALA H H 1 8.1516 0.2 . 1 . . . . . 37 ALA H . 52623 1 164 . 1 . 1 58 58 ALA C C 13 179.2246 0.3 . 1 . . . . . 37 ALA C . 52623 1 165 . 1 . 1 58 58 ALA CA C 13 54.7122 0.3 . 1 . . . . . 37 ALA CA . 52623 1 166 . 1 . 1 58 58 ALA N N 15 119.4156 0.3 . 1 . . . . . 37 ALA N . 52623 1 167 . 1 . 1 59 59 SER H H 1 7.8716 0.2 . 1 . . . . . 38 SER H . 52623 1 168 . 1 . 1 59 59 SER CA C 13 59.7407 0.3 . 1 . . . . . 38 SER CA . 52623 1 169 . 1 . 1 59 59 SER CB C 13 62.8512 0.3 . 1 . . . . . 38 SER CB . 52623 1 170 . 1 . 1 59 59 SER N N 15 113.9956 0.3 . 1 . . . . . 38 SER N . 52623 1 171 . 1 . 1 60 60 ALA H H 1 7.9316 0.2 . 1 . . . . . 39 ALA H . 52623 1 172 . 1 . 1 60 60 ALA C C 13 174.7511 0.3 . 1 . . . . . 39 ALA C . 52623 1 173 . 1 . 1 60 60 ALA CA C 13 54.6342 0.3 . 1 . . . . . 39 ALA CA . 52623 1 174 . 1 . 1 60 60 ALA CB C 13 18.1761 0.3 . 1 . . . . . 39 ALA CB . 52623 1 175 . 1 . 1 60 60 ALA N N 15 124.1156 0.3 . 1 . . . . . 39 ALA N . 52623 1 176 . 1 . 1 61 61 TRP H H 1 7.9716 0.2 . 1 . . . . . 40 TRP H . 52623 1 177 . 1 . 1 61 61 TRP C C 13 177.8288 0.3 . 1 . . . . . 40 TRP C . 52623 1 178 . 1 . 1 61 61 TRP CA C 13 59.5160 0.3 . 1 . . . . . 40 TRP CA . 52623 1 179 . 1 . 1 61 61 TRP CB C 13 28.9514 0.3 . 1 . . . . . 40 TRP CB . 52623 1 180 . 1 . 1 61 61 TRP N N 15 117.6056 0.3 . 1 . . . . . 40 TRP N . 52623 1 181 . 1 . 1 62 62 ALA H H 1 7.8216 0.2 . 1 . . . . . 41 ALA H . 52623 1 182 . 1 . 1 62 62 ALA C C 13 180.3958 0.3 . 1 . . . . . 41 ALA C . 52623 1 183 . 1 . 1 62 62 ALA CA C 13 54.1524 0.3 . 1 . . . . . 41 ALA CA . 52623 1 184 . 1 . 1 62 62 ALA N N 15 122.1956 0.3 . 1 . . . . . 41 ALA N . 52623 1 185 . 1 . 1 63 63 ILE H H 1 7.6716 0.2 . 1 . . . . . 42 ILE H . 52623 1 186 . 1 . 1 63 63 ILE C C 13 176.8528 0.3 . 1 . . . . . 42 ILE C . 52623 1 187 . 1 . 1 63 63 ILE CA C 13 64.0899 0.3 . 1 . . . . . 42 ILE CA . 52623 1 188 . 1 . 1 63 63 ILE CB C 13 37.2552 0.3 . 1 . . . . . 42 ILE CB . 52623 1 189 . 1 . 1 63 63 ILE N N 15 118.8056 0.3 . 1 . . . . . 42 ILE N . 52623 1 190 . 1 . 1 64 64 TYR H H 1 7.8516 0.2 . 1 . . . . . 43 TYR H . 52623 1 191 . 1 . 1 64 64 TYR C C 13 177.3467 0.3 . 1 . . . . . 43 TYR C . 52623 1 192 . 1 . 1 64 64 TYR CA C 13 61.1791 0.3 . 1 . . . . . 43 TYR CA . 52623 1 193 . 1 . 1 64 64 TYR CB C 13 37.5946 0.3 . 1 . . . . . 43 TYR CB . 52623 1 194 . 1 . 1 64 64 TYR N N 15 120.7956 0.3 . 1 . . . . . 43 TYR N . 52623 1 195 . 1 . 1 65 65 ALA H H 1 8.3616 0.2 . 1 . . . . . 44 ALA H . 52623 1 196 . 1 . 1 65 65 ALA C C 13 180.1087 0.3 . 1 . . . . . 44 ALA C . 52623 1 197 . 1 . 1 65 65 ALA CA C 13 54.3398 0.3 . 1 . . . . . 44 ALA CA . 52623 1 198 . 1 . 1 65 65 ALA CB C 13 17.0485 0.3 . 1 . . . . . 44 ALA CB . 52623 1 199 . 1 . 1 65 65 ALA N N 15 121.9756 0.3 . 1 . . . . . 44 ALA N . 52623 1 200 . 1 . 1 66 66 ALA H H 1 7.7016 0.2 . 1 . . . . . 45 ALA H . 52623 1 201 . 1 . 1 66 66 ALA C C 13 179.9959 0.3 . 1 . . . . . 45 ALA C . 52623 1 202 . 1 . 1 66 66 ALA CA C 13 54.3160 0.3 . 1 . . . . . 45 ALA CA . 52623 1 203 . 1 . 1 66 66 ALA CB C 13 17.4036 0.3 . 1 . . . . . 45 ALA CB . 52623 1 204 . 1 . 1 66 66 ALA N N 15 121.3256 0.3 . 1 . . . . . 45 ALA N . 52623 1 205 . 1 . 1 67 67 LEU H H 1 8.1816 0.2 . 1 . . . . . 46 LEU H . 52623 1 206 . 1 . 1 67 67 LEU CA C 13 57.5744 0.3 . 1 . . . . . 46 LEU CA . 52623 1 207 . 1 . 1 67 67 LEU CB C 13 41.0441 0.3 . 1 . . . . . 46 LEU CB . 52623 1 208 . 1 . 1 67 67 LEU N N 15 118.4756 0.3 . 1 . . . . . 46 LEU N . 52623 1 209 . 1 . 1 69 69 THR C C 13 175.0446 0.3 . 1 . . . . . 48 THR C . 52623 1 210 . 1 . 1 69 69 THR CA C 13 64.8269 0.3 . 1 . . . . . 48 THR CA . 52623 1 211 . 1 . 1 69 69 THR CB C 13 68.7058 0.3 . 1 . . . . . 48 THR CB . 52623 1 212 . 1 . 1 70 70 PHE H H 1 7.4916 0.2 . 1 . . . . . 49 PHE H . 52623 1 213 . 1 . 1 70 70 PHE CA C 13 58.9980 0.3 . 1 . . . . . 49 PHE CA . 52623 1 214 . 1 . 1 70 70 PHE CB C 13 39.8277 0.3 . 1 . . . . . 49 PHE CB . 52623 1 215 . 1 . 1 70 70 PHE N N 15 118.4756 0.3 . 1 . . . . . 49 PHE N . 52623 1 216 . 1 . 1 74 74 ALA C C 13 180.1501 0.3 . 1 . . . . . 53 ALA C . 52623 1 217 . 1 . 1 74 74 ALA CA C 13 54.6342 0.3 . 1 . . . . . 53 ALA CA . 52623 1 218 . 1 . 1 74 74 ALA CB C 13 17.4800 0.3 . 1 . . . . . 53 ALA CB . 52623 1 219 . 1 . 1 75 75 VAL H H 1 7.9616 0.2 . 1 . . . . . 54 VAL H . 52623 1 220 . 1 . 1 75 75 VAL C C 13 176.4870 0.3 . 1 . . . . . 54 VAL C . 52623 1 221 . 1 . 1 75 75 VAL CA C 13 64.7684 0.3 . 1 . . . . . 54 VAL CA . 52623 1 222 . 1 . 1 75 75 VAL CB C 13 30.5729 0.3 . 1 . . . . . 54 VAL CB . 52623 1 223 . 1 . 1 75 75 VAL N N 15 117.5456 0.3 . 1 . . . . . 54 VAL N . 52623 1 224 . 1 . 1 76 76 GLN H H 1 8.2916 0.2 . 1 . . . . . 55 GLN H . 52623 1 225 . 1 . 1 76 76 GLN C C 13 178.6317 0.3 . 1 . . . . . 55 GLN C . 52623 1 226 . 1 . 1 76 76 GLN CA C 13 57.9487 0.3 . 1 . . . . . 55 GLN CA . 52623 1 227 . 1 . 1 76 76 GLN CB C 13 27.4418 0.3 . 1 . . . . . 55 GLN CB . 52623 1 228 . 1 . 1 76 76 GLN N N 15 118.3156 0.3 . 1 . . . . . 55 GLN N . 52623 1 229 . 1 . 1 77 77 HIS H H 1 8.2316 0.2 . 1 . . . . . 56 HIS H . 52623 1 230 . 1 . 1 77 77 HIS C C 13 176.7674 0.3 . 1 . . . . . 56 HIS C . 52623 1 231 . 1 . 1 77 77 HIS CA C 13 58.0069 0.3 . 1 . . . . . 56 HIS CA . 52623 1 232 . 1 . 1 77 77 HIS CB C 13 27.7605 0.3 . 1 . . . . . 56 HIS CB . 52623 1 233 . 1 . 1 77 77 HIS N N 15 117.0856 0.3 . 1 . . . . . 56 HIS N . 52623 1 234 . 1 . 1 78 78 ALA H H 1 8.0116 0.2 . 1 . . . . . 57 ALA H . 52623 1 235 . 1 . 1 78 78 ALA C C 13 179.4114 0.3 . 1 . . . . . 57 ALA C . 52623 1 236 . 1 . 1 78 78 ALA CA C 13 54.5976 0.3 . 1 . . . . . 57 ALA CA . 52623 1 237 . 1 . 1 78 78 ALA CB C 13 17.9186 0.3 . 1 . . . . . 57 ALA CB . 52623 1 238 . 1 . 1 78 78 ALA N N 15 123.5056 0.3 . 1 . . . . . 57 ALA N . 52623 1 239 . 1 . 1 79 79 VAL H H 1 8.1016 0.2 . 1 . . . . . 58 VAL H . 52623 1 240 . 1 . 1 79 79 VAL C C 13 177.0025 0.3 . 1 . . . . . 58 VAL C . 52623 1 241 . 1 . 1 79 79 VAL CA C 13 65.0687 0.3 . 1 . . . . . 58 VAL CA . 52623 1 242 . 1 . 1 79 79 VAL N N 15 115.7356 0.3 . 1 . . . . . 58 VAL N . 52623 1 243 . 1 . 1 80 80 THR H H 1 7.8216 0.2 . 1 . . . . . 59 THR H . 52623 1 244 . 1 . 1 80 80 THR C C 13 176.0755 0.3 . 1 . . . . . 59 THR C . 52623 1 245 . 1 . 1 80 80 THR CA C 13 64.1493 0.3 . 1 . . . . . 59 THR CA . 52623 1 246 . 1 . 1 80 80 THR N N 15 111.9156 0.3 . 1 . . . . . 59 THR N . 52623 1 247 . 1 . 1 81 81 THR H H 1 7.6316 0.2 . 1 . . . . . 60 THR H . 52623 1 248 . 1 . 1 81 81 THR C C 13 175.4707 0.3 . 1 . . . . . 60 THR C . 52623 1 249 . 1 . 1 81 81 THR CA C 13 63.8742 0.3 . 1 . . . . . 60 THR CA . 52623 1 250 . 1 . 1 81 81 THR CB C 13 68.8474 0.3 . 1 . . . . . 60 THR CB . 52623 1 251 . 1 . 1 81 81 THR N N 15 115.6756 0.3 . 1 . . . . . 60 THR N . 52623 1 252 . 1 . 1 82 82 SER H H 1 7.7316 0.2 . 1 . . . . . 61 SER H . 52623 1 253 . 1 . 1 82 82 SER C C 13 173.5142 0.3 . 1 . . . . . 61 SER C . 52623 1 254 . 1 . 1 82 82 SER CA C 13 60.0582 0.3 . 1 . . . . . 61 SER CA . 52623 1 255 . 1 . 1 82 82 SER CB C 13 63.0083 0.3 . 1 . . . . . 61 SER CB . 52623 1 256 . 1 . 1 82 82 SER N N 15 117.9856 0.3 . 1 . . . . . 61 SER N . 52623 1 257 . 1 . 1 83 83 TYR H H 1 7.9816 0.2 . 1 . . . . . 62 TYR H . 52623 1 258 . 1 . 1 83 83 TYR C C 13 175.7197 0.3 . 1 . . . . . 62 TYR C . 52623 1 259 . 1 . 1 83 83 TYR CA C 13 58.8903 0.3 . 1 . . . . . 62 TYR CA . 52623 1 260 . 1 . 1 83 83 TYR CB C 13 37.9162 0.3 . 1 . . . . . 62 TYR CB . 52623 1 261 . 1 . 1 83 83 TYR N N 15 121.6456 0.3 . 1 . . . . . 62 TYR N . 52623 1 262 . 1 . 1 84 84 ASN H H 1 7.8316 0.2 . 1 . . . . . 63 ASN H . 52623 1 263 . 1 . 1 84 84 ASN C C 13 175.2417 0.3 . 1 . . . . . 63 ASN C . 52623 1 264 . 1 . 1 84 84 ASN CA C 13 53.6020 0.3 . 1 . . . . . 63 ASN CA . 52623 1 265 . 1 . 1 84 84 ASN CB C 13 37.9214 0.3 . 1 . . . . . 63 ASN CB . 52623 1 266 . 1 . 1 84 84 ASN N N 15 118.0056 0.3 . 1 . . . . . 63 ASN N . 52623 1 267 . 1 . 1 85 85 ASN H H 1 7.9116 0.2 . 1 . . . . . 64 ASN H . 52623 1 268 . 1 . 1 85 85 ASN CA C 13 53.7546 0.3 . 1 . . . . . 64 ASN CA . 52623 1 269 . 1 . 1 85 85 ASN CB C 13 38.2769 0.3 . 1 . . . . . 64 ASN CB . 52623 1 270 . 1 . 1 85 85 ASN N N 15 117.1656 0.3 . 1 . . . . . 64 ASN N . 52623 1 271 . 1 . 1 86 86 TYR H H 1 7.7916 0.2 . 1 . . . . . 65 TYR H . 52623 1 272 . 1 . 1 86 86 TYR C C 13 175.7131 0.3 . 1 . . . . . 65 TYR C . 52623 1 273 . 1 . 1 86 86 TYR CA C 13 57.8379 0.3 . 1 . . . . . 65 TYR CA . 52623 1 274 . 1 . 1 86 86 TYR CB C 13 38.3275 0.3 . 1 . . . . . 65 TYR CB . 52623 1 275 . 1 . 1 86 86 TYR N N 15 120.3056 0.3 . 1 . . . . . 65 TYR N . 52623 1 276 . 1 . 1 87 87 SER H H 1 8.0016 0.2 . 1 . . . . . 66 SER H . 52623 1 277 . 1 . 1 87 87 SER C C 13 175.5754 0.3 . 1 . . . . . 66 SER C . 52623 1 278 . 1 . 1 87 87 SER CA C 13 58.6669 0.3 . 1 . . . . . 66 SER CA . 52623 1 279 . 1 . 1 87 87 SER CB C 13 63.0864 0.3 . 1 . . . . . 66 SER CB . 52623 1 280 . 1 . 1 87 87 SER N N 15 116.3956 0.3 . 1 . . . . . 66 SER N . 52623 1 281 . 1 . 1 88 88 LEU H H 1 8.3316 0.2 . 1 . . . . . 67 LEU H . 52623 1 282 . 1 . 1 88 88 LEU C C 13 178.6786 0.3 . 1 . . . . . 67 LEU C . 52623 1 283 . 1 . 1 88 88 LEU CA C 13 57.6124 0.3 . 1 . . . . . 67 LEU CA . 52623 1 284 . 1 . 1 88 88 LEU CB C 13 40.8279 0.3 . 1 . . . . . 67 LEU CB . 52623 1 285 . 1 . 1 88 88 LEU N N 15 124.6556 0.3 . 1 . . . . . 67 LEU N . 52623 1 286 . 1 . 1 89 89 MET H H 1 8.1116 0.2 . 1 . . . . . 68 MET H . 52623 1 287 . 1 . 1 89 89 MET C C 13 178.6789 0.3 . 1 . . . . . 68 MET C . 52623 1 288 . 1 . 1 89 89 MET CA C 13 57.4610 0.3 . 1 . . . . . 68 MET CA . 52623 1 289 . 1 . 1 89 89 MET CB C 13 30.8008 0.3 . 1 . . . . . 68 MET CB . 52623 1 290 . 1 . 1 89 89 MET N N 15 117.0556 0.3 . 1 . . . . . 68 MET N . 52623 1 291 . 1 . 1 90 90 ALA H H 1 7.8616 0.2 . 1 . . . . . 69 ALA H . 52623 1 292 . 1 . 1 90 90 ALA C C 13 180.4121 0.3 . 1 . . . . . 69 ALA C . 52623 1 293 . 1 . 1 90 90 ALA CA C 13 54.4984 0.3 . 1 . . . . . 69 ALA CA . 52623 1 294 . 1 . 1 90 90 ALA CB C 13 17.4541 0.3 . 1 . . . . . 69 ALA CB . 52623 1 295 . 1 . 1 90 90 ALA N N 15 123.3956 0.3 . 1 . . . . . 69 ALA N . 52623 1 296 . 1 . 1 91 91 MET H H 1 7.8416 0.2 . 1 . . . . . 70 MET H . 52623 1 297 . 1 . 1 91 91 MET C C 13 177.6554 0.3 . 1 . . . . . 70 MET C . 52623 1 298 . 1 . 1 91 91 MET CA C 13 58.2443 0.3 . 1 . . . . . 70 MET CA . 52623 1 299 . 1 . 1 91 91 MET CB C 13 32.1521 0.3 . 1 . . . . . 70 MET CB . 52623 1 300 . 1 . 1 91 91 MET N N 15 118.0356 0.3 . 1 . . . . . 70 MET N . 52623 1 301 . 1 . 1 92 92 ALA H H 1 8.2116 0.2 . 1 . . . . . 71 ALA H . 52623 1 302 . 1 . 1 92 92 ALA C C 13 179.2416 0.3 . 1 . . . . . 71 ALA C . 52623 1 303 . 1 . 1 92 92 ALA CA C 13 54.7422 0.3 . 1 . . . . . 71 ALA CA . 52623 1 304 . 1 . 1 92 92 ALA CB C 13 17.6604 0.3 . 1 . . . . . 71 ALA CB . 52623 1 305 . 1 . 1 92 92 ALA N N 15 121.3356 0.3 . 1 . . . . . 71 ALA N . 52623 1 306 . 1 . 1 93 93 THR H H 1 7.9416 0.2 . 1 . . . . . 72 THR H . 52623 1 307 . 1 . 1 93 93 THR C C 13 176.7788 0.3 . 1 . . . . . 72 THR C . 52623 1 308 . 1 . 1 93 93 THR CA C 13 65.4907 0.3 . 1 . . . . . 72 THR CA . 52623 1 309 . 1 . 1 93 93 THR CB C 13 68.3577 0.3 . 1 . . . . . 72 THR CB . 52623 1 310 . 1 . 1 93 93 THR N N 15 112.1856 0.3 . 1 . . . . . 72 THR N . 52623 1 311 . 1 . 1 94 94 GLN H H 1 7.7716 0.2 . 1 . . . . . 73 GLN H . 52623 1 312 . 1 . 1 94 94 GLN C C 13 177.6578 0.3 . 1 . . . . . 73 GLN C . 52623 1 313 . 1 . 1 94 94 GLN CA C 13 57.3606 0.3 . 1 . . . . . 73 GLN CA . 52623 1 314 . 1 . 1 94 94 GLN CB C 13 27.3953 0.3 . 1 . . . . . 73 GLN CB . 52623 1 315 . 1 . 1 94 94 GLN N N 15 121.1556 0.3 . 1 . . . . . 73 GLN N . 52623 1 316 . 1 . 1 95 95 ALA H H 1 8.1216 0.2 . 1 . . . . . 74 ALA H . 52623 1 317 . 1 . 1 95 95 ALA C C 13 178.5885 0.3 . 1 . . . . . 74 ALA C . 52623 1 318 . 1 . 1 95 95 ALA CA C 13 54.4873 0.3 . 1 . . . . . 74 ALA CA . 52623 1 319 . 1 . 1 95 95 ALA CB C 13 17.4183 0.3 . 1 . . . . . 74 ALA CB . 52623 1 320 . 1 . 1 95 95 ALA N N 15 121.8156 0.3 . 1 . . . . . 74 ALA N . 52623 1 321 . 1 . 1 96 96 GLY H H 1 8.0416 0.2 . 1 . . . . . 75 GLY H . 52623 1 322 . 1 . 1 96 96 GLY C C 13 176.1423 0.3 . 1 . . . . . 75 GLY C . 52623 1 323 . 1 . 1 96 96 GLY CA C 13 46.8544 0.3 . 1 . . . . . 75 GLY CA . 52623 1 324 . 1 . 1 96 96 GLY N N 15 104.4756 0.3 . 1 . . . . . 75 GLY N . 52623 1 325 . 1 . 1 97 97 VAL H H 1 7.6116 0.2 . 1 . . . . . 76 VAL H . 52623 1 326 . 1 . 1 97 97 VAL C C 13 178.5137 0.3 . 1 . . . . . 76 VAL C . 52623 1 327 . 1 . 1 97 97 VAL CA C 13 64.8765 0.3 . 1 . . . . . 76 VAL CA . 52623 1 328 . 1 . 1 97 97 VAL CB C 13 30.8637 0.3 . 1 . . . . . 76 VAL CB . 52623 1 329 . 1 . 1 97 97 VAL N N 15 121.6456 0.3 . 1 . . . . . 76 VAL N . 52623 1 330 . 1 . 1 98 98 LEU H H 1 7.7416 0.2 . 1 . . . . . 77 LEU H . 52623 1 331 . 1 . 1 98 98 LEU C C 13 178.1617 0.3 . 1 . . . . . 77 LEU C . 52623 1 332 . 1 . 1 98 98 LEU CA C 13 56.9443 0.3 . 1 . . . . . 77 LEU CA . 52623 1 333 . 1 . 1 98 98 LEU CB C 13 40.8002 0.3 . 1 . . . . . 77 LEU CB . 52623 1 334 . 1 . 1 98 98 LEU N N 15 120.9356 0.3 . 1 . . . . . 77 LEU N . 52623 1 335 . 1 . 1 99 99 PHE H H 1 7.9816 0.2 . 1 . . . . . 78 PHE H . 52623 1 336 . 1 . 1 99 99 PHE C C 13 176.8858 0.3 . 1 . . . . . 78 PHE C . 52623 1 337 . 1 . 1 99 99 PHE CA C 13 58.5840 0.3 . 1 . . . . . 78 PHE CA . 52623 1 338 . 1 . 1 99 99 PHE CB C 13 38.1510 0.3 . 1 . . . . . 78 PHE CB . 52623 1 339 . 1 . 1 99 99 PHE N N 15 116.5656 0.3 . 1 . . . . . 78 PHE N . 52623 1 340 . 1 . 1 100 100 GLY H H 1 7.8416 0.2 . 1 . . . . . 79 GLY H . 52623 1 341 . 1 . 1 100 100 GLY C C 13 175.4292 0.3 . 1 . . . . . 79 GLY C . 52623 1 342 . 1 . 1 100 100 GLY CA C 13 45.9835 0.3 . 1 . . . . . 79 GLY CA . 52623 1 343 . 1 . 1 100 100 GLY N N 15 106.4956 0.3 . 1 . . . . . 79 GLY N . 52623 1 344 . 1 . 1 101 101 MET H H 1 7.8716 0.2 . 1 . . . . . 80 MET H . 52623 1 345 . 1 . 1 101 101 MET C C 13 177.2037 0.3 . 1 . . . . . 80 MET C . 52623 1 346 . 1 . 1 101 101 MET CA C 13 56.5541 0.3 . 1 . . . . . 80 MET CA . 52623 1 347 . 1 . 1 101 101 MET CB C 13 32.1726 0.3 . 1 . . . . . 80 MET CB . 52623 1 348 . 1 . 1 101 101 MET N N 15 119.5756 0.3 . 1 . . . . . 80 MET N . 52623 1 349 . 1 . 1 102 102 GLY H H 1 8.1116 0.2 . 1 . . . . . 81 GLY H . 52623 1 350 . 1 . 1 102 102 GLY C C 13 174.1746 0.3 . 1 . . . . . 81 GLY C . 52623 1 351 . 1 . 1 102 102 GLY CA C 13 45.5396 0.3 . 1 . . . . . 81 GLY CA . 52623 1 352 . 1 . 1 102 102 GLY N N 15 108.0856 0.3 . 1 . . . . . 81 GLY N . 52623 1 353 . 1 . 1 103 103 LYS H H 1 7.7316 0.2 . 1 . . . . . 82 LYS H . 52623 1 354 . 1 . 1 103 103 LYS C C 13 176.7967 0.3 . 1 . . . . . 82 LYS C . 52623 1 355 . 1 . 1 103 103 LYS CA C 13 56.6143 0.3 . 1 . . . . . 82 LYS CA . 52623 1 356 . 1 . 1 103 103 LYS CB C 13 31.4673 0.3 . 1 . . . . . 82 LYS CB . 52623 1 357 . 1 . 1 103 103 LYS N N 15 119.7956 0.3 . 1 . . . . . 82 LYS N . 52623 1 358 . 1 . 1 104 104 GLY H H 1 8.0316 0.2 . 1 . . . . . 83 GLY H . 52623 1 359 . 1 . 1 104 104 GLY C C 13 173.8386 0.3 . 1 . . . . . 83 GLY C . 52623 1 360 . 1 . 1 104 104 GLY CA C 13 44.6337 0.3 . 1 . . . . . 83 GLY CA . 52623 1 361 . 1 . 1 104 104 GLY N N 15 108.4156 0.3 . 1 . . . . . 83 GLY N . 52623 1 362 . 1 . 1 105 105 MET H H 1 7.7316 0.2 . 1 . . . . . 84 MET H . 52623 1 363 . 1 . 1 105 105 MET C C 13 174.6239 0.3 . 1 . . . . . 84 MET C . 52623 1 364 . 1 . 1 105 105 MET CA C 13 53.4626 0.3 . 1 . . . . . 84 MET CA . 52623 1 365 . 1 . 1 105 105 MET CB C 13 31.8551 0.3 . 1 . . . . . 84 MET CB . 52623 1 366 . 1 . 1 105 105 MET N N 15 120.5556 0.3 . 1 . . . . . 84 MET N . 52623 1 367 . 1 . 1 106 106 PRO C C 13 176.1223 0.3 . 1 . . . . . 85 PRO C . 52623 1 368 . 1 . 1 106 106 PRO CA C 13 62.8499 0.3 . 1 . . . . . 85 PRO CA . 52623 1 369 . 1 . 1 106 106 PRO CB C 13 30.1633 0.3 . 1 . . . . . 85 PRO CB . 52623 1 370 . 1 . 1 107 107 PHE H H 1 7.3516 0.2 . 1 . . . . . 86 PHE H . 52623 1 371 . 1 . 1 107 107 PHE C C 13 175.2837 0.3 . 1 . . . . . 86 PHE C . 52623 1 372 . 1 . 1 107 107 PHE CA C 13 57.9028 0.3 . 1 . . . . . 86 PHE CA . 52623 1 373 . 1 . 1 107 107 PHE CB C 13 38.3582 0.3 . 1 . . . . . 86 PHE CB . 52623 1 374 . 1 . 1 107 107 PHE N N 15 117.6556 0.3 . 1 . . . . . 86 PHE N . 52623 1 375 . 1 . 1 108 108 TYR H H 1 7.1116 0.2 . 1 . . . . . 87 TYR H . 52623 1 376 . 1 . 1 108 108 TYR C C 13 175.2824 0.3 . 1 . . . . . 87 TYR C . 52623 1 377 . 1 . 1 108 108 TYR CA C 13 57.6459 0.3 . 1 . . . . . 87 TYR CA . 52623 1 378 . 1 . 1 108 108 TYR CB C 13 37.5513 0.3 . 1 . . . . . 87 TYR CB . 52623 1 379 . 1 . 1 108 108 TYR N N 15 118.0156 0.3 . 1 . . . . . 87 TYR N . 52623 1 380 . 1 . 1 109 109 ALA H H 1 7.4516 0.2 . 1 . . . . . 88 ALA H . 52623 1 381 . 1 . 1 109 109 ALA C C 13 176.8642 0.3 . 1 . . . . . 88 ALA C . 52623 1 382 . 1 . 1 109 109 ALA CA C 13 51.7970 0.3 . 1 . . . . . 88 ALA CA . 52623 1 383 . 1 . 1 109 109 ALA CB C 13 18.1234 0.3 . 1 . . . . . 88 ALA CB . 52623 1 384 . 1 . 1 109 109 ALA N N 15 123.3456 0.3 . 1 . . . . . 88 ALA N . 52623 1 385 . 1 . 1 110 110 TRP H H 1 7.3716 0.2 . 1 . . . . . 89 TRP H . 52623 1 386 . 1 . 1 110 110 TRP C C 13 175.2768 0.3 . 1 . . . . . 89 TRP C . 52623 1 387 . 1 . 1 110 110 TRP CA C 13 56.5709 0.3 . 1 . . . . . 89 TRP CA . 52623 1 388 . 1 . 1 110 110 TRP CB C 13 29.1432 0.3 . 1 . . . . . 89 TRP CB . 52623 1 389 . 1 . 1 110 110 TRP N N 15 119.8956 0.3 . 1 . . . . . 89 TRP N . 52623 1 390 . 1 . 1 111 111 ASP H H 1 7.8116 0.2 . 1 . . . . . 90 ASP H . 52623 1 391 . 1 . 1 111 111 ASP C C 13 175.6020 0.3 . 1 . . . . . 90 ASP C . 52623 1 392 . 1 . 1 111 111 ASP CA C 13 53.4398 0.3 . 1 . . . . . 90 ASP CA . 52623 1 393 . 1 . 1 111 111 ASP CB C 13 40.2048 0.3 . 1 . . . . . 90 ASP CB . 52623 1 394 . 1 . 1 111 111 ASP N N 15 120.7156 0.3 . 1 . . . . . 90 ASP N . 52623 1 395 . 1 . 1 112 112 PHE H H 1 7.7816 0.2 . 1 . . . . . 91 PHE H . 52623 1 396 . 1 . 1 112 112 PHE C C 13 175.5786 0.3 . 1 . . . . . 91 PHE C . 52623 1 397 . 1 . 1 112 112 PHE CA C 13 58.0676 0.3 . 1 . . . . . 91 PHE CA . 52623 1 398 . 1 . 1 112 112 PHE CB C 13 38.3916 0.3 . 1 . . . . . 91 PHE CB . 52623 1 399 . 1 . 1 112 112 PHE N N 15 120.2656 0.3 . 1 . . . . . 91 PHE N . 52623 1 400 . 1 . 1 113 113 GLY H H 1 8.2016 0.2 . 1 . . . . . 92 GLY H . 52623 1 401 . 1 . 1 113 113 GLY C C 13 174.5022 0.3 . 1 . . . . . 92 GLY C . 52623 1 402 . 1 . 1 113 113 GLY CA C 13 45.7836 0.3 . 1 . . . . . 92 GLY CA . 52623 1 403 . 1 . 1 113 113 GLY N N 15 107.7556 0.3 . 1 . . . . . 92 GLY N . 52623 1 404 . 1 . 1 114 114 VAL H H 1 7.7516 0.2 . 1 . . . . . 93 VAL H . 52623 1 405 . 1 . 1 114 114 VAL C C 13 177.8267 0.3 . 1 . . . . . 93 VAL C . 52623 1 406 . 1 . 1 114 114 VAL CA C 13 63.8966 0.3 . 1 . . . . . 93 VAL CA . 52623 1 407 . 1 . 1 114 114 VAL N N 15 120.2256 0.3 . 1 . . . . . 93 VAL N . 52623 1 408 . 1 . 1 115 115 PRO C C 13 177.2574 0.3 . 1 . . . . . 94 PRO C . 52623 1 409 . 1 . 1 115 115 PRO CA C 13 64.2773 0.3 . 1 . . . . . 94 PRO CA . 52623 1 410 . 1 . 1 115 115 PRO CB C 13 31.6792 0.3 . 1 . . . . . 94 PRO CB . 52623 1 411 . 1 . 1 116 116 LEU H H 1 7.5516 0.2 . 1 . . . . . 95 LEU H . 52623 1 412 . 1 . 1 116 116 LEU CA C 13 56.6594 0.3 . 1 . . . . . 95 LEU CA . 52623 1 413 . 1 . 1 116 116 LEU CB C 13 40.9248 0.3 . 1 . . . . . 95 LEU CB . 52623 1 414 . 1 . 1 116 116 LEU N N 15 118.2056 0.3 . 1 . . . . . 95 LEU N . 52623 1 415 . 1 . 1 117 117 LEU H H 1 7.7916 0.2 . 1 . . . . . 96 LEU H . 52623 1 416 . 1 . 1 117 117 LEU C C 13 178.5127 0.3 . 1 . . . . . 96 LEU C . 52623 1 417 . 1 . 1 117 117 LEU CA C 13 56.2281 0.3 . 1 . . . . . 96 LEU CA . 52623 1 418 . 1 . 1 117 117 LEU CB C 13 40.7363 0.3 . 1 . . . . . 96 LEU CB . 52623 1 419 . 1 . 1 117 117 LEU N N 15 119.6856 0.3 . 1 . . . . . 96 LEU N . 52623 1 420 . 1 . 1 118 118 MET H H 1 7.7916 0.2 . 1 . . . . . 97 MET H . 52623 1 421 . 1 . 1 118 118 MET C C 13 177.2474 0.3 . 1 . . . . . 97 MET C . 52623 1 422 . 1 . 1 118 118 MET CA C 13 56.6426 0.3 . 1 . . . . . 97 MET CA . 52623 1 423 . 1 . 1 118 118 MET CB C 13 31.8325 0.3 . 1 . . . . . 97 MET CB . 52623 1 424 . 1 . 1 118 118 MET N N 15 117.8256 0.3 . 1 . . . . . 97 MET N . 52623 1 425 . 1 . 1 119 119 ILE H H 1 7.6716 0.2 . 1 . . . . . 98 ILE H . 52623 1 426 . 1 . 1 119 119 ILE C C 13 177.1770 0.3 . 1 . . . . . 98 ILE C . 52623 1 427 . 1 . 1 119 119 ILE CA C 13 62.7550 0.3 . 1 . . . . . 98 ILE CA . 52623 1 428 . 1 . 1 119 119 ILE CB C 13 37.2552 0.3 . 1 . . . . . 98 ILE CB . 52623 1 429 . 1 . 1 119 119 ILE N N 15 118.2056 0.3 . 1 . . . . . 98 ILE N . 52623 1 430 . 1 . 1 120 120 GLY H H 1 7.9816 0.2 . 1 . . . . . 99 GLY H . 52623 1 431 . 1 . 1 120 120 GLY C C 13 174.8902 0.3 . 1 . . . . . 99 GLY C . 52623 1 432 . 1 . 1 120 120 GLY CA C 13 45.8393 0.3 . 1 . . . . . 99 GLY CA . 52623 1 433 . 1 . 1 120 120 GLY N N 15 108.6356 0.3 . 1 . . . . . 99 GLY N . 52623 1 434 . 1 . 1 121 121 CYS H H 1 7.7516 0.2 . 1 . . . . . 100 CYS H . 52623 1 435 . 1 . 1 121 121 CYS C C 13 175.1082 0.3 . 1 . . . . . 100 CYS C . 52623 1 436 . 1 . 1 121 121 CYS CA C 13 59.4779 0.3 . 1 . . . . . 100 CYS CA . 52623 1 437 . 1 . 1 121 121 CYS CB C 13 27.1910 0.3 . 1 . . . . . 100 CYS CB . 52623 1 438 . 1 . 1 121 121 CYS N N 15 118.3256 0.3 . 1 . . . . . 100 CYS N . 52623 1 439 . 1 . 1 122 122 TYR H H 1 7.8416 0.2 . 1 . . . . . 101 TYR H . 52623 1 440 . 1 . 1 122 122 TYR C C 13 176.1316 0.3 . 1 . . . . . 101 TYR C . 52623 1 441 . 1 . 1 122 122 TYR CA C 13 58.6071 0.3 . 1 . . . . . 101 TYR CA . 52623 1 442 . 1 . 1 122 122 TYR CB C 13 37.6385 0.3 . 1 . . . . . 101 TYR CB . 52623 1 443 . 1 . 1 122 122 TYR N N 15 120.7656 0.3 . 1 . . . . . 101 TYR N . 52623 1 444 . 1 . 1 123 123 SER H H 1 7.8216 0.2 . 1 . . . . . 102 SER H . 52623 1 445 . 1 . 1 123 123 SER C C 13 174.4971 0.3 . 1 . . . . . 102 SER C . 52623 1 446 . 1 . 1 123 123 SER CA C 13 59.4361 0.3 . 1 . . . . . 102 SER CA . 52623 1 447 . 1 . 1 123 123 SER CB C 13 63.1090 0.3 . 1 . . . . . 102 SER CB . 52623 1 448 . 1 . 1 123 123 SER N N 15 115.0856 0.3 . 1 . . . . . 102 SER N . 52623 1 449 . 1 . 1 124 124 GLN H H 1 7.9216 0.2 . 1 . . . . . 103 GLN H . 52623 1 450 . 1 . 1 124 124 GLN C C 13 175.6279 0.3 . 1 . . . . . 103 GLN C . 52623 1 451 . 1 . 1 124 124 GLN CA C 13 55.7055 0.3 . 1 . . . . . 103 GLN CA . 52623 1 452 . 1 . 1 124 124 GLN CB C 13 28.1196 0.3 . 1 . . . . . 103 GLN CB . 52623 1 453 . 1 . 1 124 124 GLN N N 15 119.7056 0.3 . 1 . . . . . 103 GLN N . 52623 1 454 . 1 . 1 125 125 LEU H H 1 7.7316 0.2 . 1 . . . . . 104 LEU H . 52623 1 455 . 1 . 1 125 125 LEU C C 13 178.6467 0.3 . 1 . . . . . 104 LEU C . 52623 1 456 . 1 . 1 125 125 LEU CA C 13 57.4658 0.3 . 1 . . . . . 104 LEU CA . 52623 1 457 . 1 . 1 125 125 LEU CB C 13 40.8838 0.3 . 1 . . . . . 104 LEU CB . 52623 1 458 . 1 . 1 125 125 LEU N N 15 121.0756 0.3 . 1 . . . . . 104 LEU N . 52623 1 459 . 1 . 1 126 126 THR H H 1 7.6116 0.2 . 1 . . . . . 105 THR H . 52623 1 460 . 1 . 1 126 126 THR CA C 13 65.5020 0.3 . 1 . . . . . 105 THR CA . 52623 1 461 . 1 . 1 126 126 THR CB C 13 67.9136 0.3 . 1 . . . . . 105 THR CB . 52623 1 462 . 1 . 1 126 126 THR N N 15 112.9256 0.3 . 1 . . . . . 105 THR N . 52623 1 463 . 1 . 1 130 130 LEU C C 13 177.4925 0.3 . 1 . . . . . 109 LEU C . 52623 1 464 . 1 . 1 130 130 LEU CA C 13 57.5478 0.3 . 1 . . . . . 109 LEU CA . 52623 1 465 . 1 . 1 130 130 LEU CB C 13 40.8837 0.3 . 1 . . . . . 109 LEU CB . 52623 1 466 . 1 . 1 131 131 ILE H H 1 7.7516 0.2 . 1 . . . . . 110 ILE H . 52623 1 467 . 1 . 1 131 131 ILE C C 13 177.2048 0.3 . 1 . . . . . 110 ILE C . 52623 1 468 . 1 . 1 131 131 ILE CA C 13 64.4007 0.3 . 1 . . . . . 110 ILE CA . 52623 1 469 . 1 . 1 131 131 ILE CB C 13 36.6281 0.3 . 1 . . . . . 110 ILE CB . 52623 1 470 . 1 . 1 131 131 ILE N N 15 118.1056 0.3 . 1 . . . . . 110 ILE N . 52623 1 471 . 1 . 1 132 132 VAL H H 1 7.9216 0.2 . 1 . . . . . 111 VAL H . 52623 1 472 . 1 . 1 132 132 VAL C C 13 176.0543 0.3 . 1 . . . . . 111 VAL C . 52623 1 473 . 1 . 1 132 132 VAL CA C 13 66.7932 0.3 . 1 . . . . . 111 VAL CA . 52623 1 474 . 1 . 1 132 132 VAL CB C 13 30.4586 0.3 . 1 . . . . . 111 VAL CB . 52623 1 475 . 1 . 1 132 132 VAL N N 15 119.2556 0.3 . 1 . . . . . 111 VAL N . 52623 1 476 . 1 . 1 133 133 ALA H H 1 7.7916 0.2 . 1 . . . . . 112 ALA H . 52623 1 477 . 1 . 1 133 133 ALA CA C 13 53.4398 0.3 . 1 . . . . . 112 ALA CA . 52623 1 478 . 1 . 1 133 133 ALA CB C 13 17.3288 0.3 . 1 . . . . . 112 ALA CB . 52623 1 479 . 1 . 1 133 133 ALA N N 15 120.3556 0.3 . 1 . . . . . 112 ALA N . 52623 1 480 . 1 . 1 137 137 LEU C C 13 174.2573 0.3 . 1 . . . . . 116 LEU C . 52623 1 481 . 1 . 1 137 137 LEU CA C 13 55.4205 0.3 . 1 . . . . . 116 LEU CA . 52623 1 482 . 1 . 1 138 138 VAL H H 1 8.3516 0.2 . 1 . . . . . 117 VAL H . 52623 1 483 . 1 . 1 138 138 VAL C C 13 177.9111 0.3 . 1 . . . . . 117 VAL C . 52623 1 484 . 1 . 1 138 138 VAL CA C 13 66.3242 0.3 . 1 . . . . . 117 VAL CA . 52623 1 485 . 1 . 1 138 138 VAL CB C 13 30.0444 0.3 . 1 . . . . . 117 VAL CB . 52623 1 486 . 1 . 1 138 138 VAL N N 15 118.9056 0.3 . 1 . . . . . 117 VAL N . 52623 1 487 . 1 . 1 139 139 ALA H H 1 8.4816 0.2 . 1 . . . . . 118 ALA H . 52623 1 488 . 1 . 1 139 139 ALA C C 13 179.3554 0.3 . 1 . . . . . 118 ALA C . 52623 1 489 . 1 . 1 139 139 ALA CA C 13 54.7273 0.3 . 1 . . . . . 118 ALA CA . 52623 1 490 . 1 . 1 139 139 ALA CB C 13 17.4501 0.3 . 1 . . . . . 118 ALA CB . 52623 1 491 . 1 . 1 139 139 ALA N N 15 120.1156 0.3 . 1 . . . . . 118 ALA N . 52623 1 492 . 1 . 1 140 140 HIS H H 1 7.8816 0.2 . 1 . . . . . 119 HIS H . 52623 1 493 . 1 . 1 140 140 HIS C C 13 175.9098 0.3 . 1 . . . . . 119 HIS C . 52623 1 494 . 1 . 1 140 140 HIS CA C 13 57.8788 0.3 . 1 . . . . . 119 HIS CA . 52623 1 495 . 1 . 1 140 140 HIS CB C 13 27.7416 0.3 . 1 . . . . . 119 HIS CB . 52623 1 496 . 1 . 1 140 140 HIS N N 15 114.7556 0.3 . 1 . . . . . 119 HIS N . 52623 1 497 . 1 . 1 141 141 TYR H H 1 7.7616 0.2 . 1 . . . . . 120 TYR H . 52623 1 498 . 1 . 1 141 141 TYR C C 13 176.3166 0.3 . 1 . . . . . 120 TYR C . 52623 1 499 . 1 . 1 141 141 TYR CA C 13 59.7424 0.3 . 1 . . . . . 120 TYR CA . 52623 1 500 . 1 . 1 141 141 TYR CB C 13 37.8215 0.3 . 1 . . . . . 120 TYR CB . 52623 1 501 . 1 . 1 141 141 TYR N N 15 115.2556 0.3 . 1 . . . . . 120 TYR N . 52623 1 502 . 1 . 1 142 142 MET H H 1 7.8016 0.2 . 1 . . . . . 121 MET H . 52623 1 503 . 1 . 1 142 142 MET C C 13 177.1142 0.3 . 1 . . . . . 121 MET C . 52623 1 504 . 1 . 1 142 142 MET CA C 13 58.8262 0.3 . 1 . . . . . 121 MET CA . 52623 1 505 . 1 . 1 142 142 MET CB C 13 31.2269 0.3 . 1 . . . . . 121 MET CB . 52623 1 506 . 1 . 1 142 142 MET N N 15 119.5856 0.3 . 1 . . . . . 121 MET N . 52623 1 507 . 1 . 1 143 143 TYR H H 1 7.5716 0.2 . 1 . . . . . 122 TYR H . 52623 1 508 . 1 . 1 143 143 TYR C C 13 175.9524 0.3 . 1 . . . . . 122 TYR C . 52623 1 509 . 1 . 1 143 143 TYR CA C 13 58.4946 0.3 . 1 . . . . . 122 TYR CA . 52623 1 510 . 1 . 1 143 143 TYR CB C 13 36.3140 0.3 . 1 . . . . . 122 TYR CB . 52623 1 511 . 1 . 1 143 143 TYR N N 15 115.5756 0.3 . 1 . . . . . 122 TYR N . 52623 1 512 . 1 . 1 144 144 LEU H H 1 7.3216 0.2 . 1 . . . . . 123 LEU H . 52623 1 513 . 1 . 1 144 144 LEU C C 13 177.6804 0.3 . 1 . . . . . 123 LEU C . 52623 1 514 . 1 . 1 144 144 LEU CA C 13 54.7788 0.3 . 1 . . . . . 123 LEU CA . 52623 1 515 . 1 . 1 144 144 LEU CB C 13 41.6448 0.3 . 1 . . . . . 123 LEU CB . 52623 1 516 . 1 . 1 144 144 LEU N N 15 120.0656 0.3 . 1 . . . . . 123 LEU N . 52623 1 517 . 1 . 1 145 145 ILE H H 1 7.5416 0.2 . 1 . . . . . 124 ILE H . 52623 1 518 . 1 . 1 145 145 ILE CA C 13 61.9556 0.3 . 1 . . . . . 124 ILE CA . 52623 1 519 . 1 . 1 145 145 ILE N N 15 119.4656 0.3 . 1 . . . . . 124 ILE N . 52623 1 520 . 1 . 1 146 146 PRO C C 13 178.4726 0.3 . 1 . . . . . 125 PRO C . 52623 1 521 . 1 . 1 146 146 PRO CA C 13 64.7694 0.3 . 1 . . . . . 125 PRO CA . 52623 1 522 . 1 . 1 146 146 PRO CB C 13 30.3112 0.3 . 1 . . . . . 125 PRO CB . 52623 1 523 . 1 . 1 147 147 GLY H H 1 8.2516 0.2 . 1 . . . . . 126 GLY H . 52623 1 524 . 1 . 1 147 147 GLY C C 13 176.0897 0.3 . 1 . . . . . 126 GLY C . 52623 1 525 . 1 . 1 147 147 GLY CA C 13 45.8600 0.3 . 1 . . . . . 126 GLY CA . 52623 1 526 . 1 . 1 147 147 GLY N N 15 107.4256 0.3 . 1 . . . . . 126 GLY N . 52623 1 527 . 1 . 1 148 148 LEU H H 1 7.7316 0.2 . 1 . . . . . 127 LEU H . 52623 1 528 . 1 . 1 148 148 LEU C C 13 178.1469 0.3 . 1 . . . . . 127 LEU C . 52623 1 529 . 1 . 1 148 148 LEU CA C 13 57.3674 0.3 . 1 . . . . . 127 LEU CA . 52623 1 530 . 1 . 1 148 148 LEU CB C 13 40.8339 0.3 . 1 . . . . . 127 LEU CB . 52623 1 531 . 1 . 1 148 148 LEU N N 15 123.1256 0.3 . 1 . . . . . 127 LEU N . 52623 1 532 . 1 . 1 149 149 GLN H H 1 8.3216 0.2 . 1 . . . . . 128 GLN H . 52623 1 533 . 1 . 1 149 149 GLN C C 13 178.2227 0.3 . 1 . . . . . 128 GLN C . 52623 1 534 . 1 . 1 149 149 GLN CA C 13 59.6147 0.3 . 1 . . . . . 128 GLN CA . 52623 1 535 . 1 . 1 149 149 GLN CB C 13 27.4124 0.3 . 1 . . . . . 128 GLN CB . 52623 1 536 . 1 . 1 149 149 GLN N N 15 118.9156 0.3 . 1 . . . . . 128 GLN N . 52623 1 537 . 1 . 1 150 150 ALA H H 1 7.9516 0.2 . 1 . . . . . 129 ALA H . 52623 1 538 . 1 . 1 150 150 ALA C C 13 180.2243 0.3 . 1 . . . . . 129 ALA C . 52623 1 539 . 1 . 1 150 150 ALA CA C 13 54.2270 0.3 . 1 . . . . . 129 ALA CA . 52623 1 540 . 1 . 1 150 150 ALA CB C 13 17.3403 0.3 . 1 . . . . . 129 ALA CB . 52623 1 541 . 1 . 1 150 150 ALA N N 15 121.3756 0.3 . 1 . . . . . 129 ALA N . 52623 1 542 . 1 . 1 151 151 ALA H H 1 7.8116 0.2 . 1 . . . . . 130 ALA H . 52623 1 543 . 1 . 1 151 151 ALA C C 13 179.7454 0.3 . 1 . . . . . 130 ALA C . 52623 1 544 . 1 . 1 151 151 ALA CA C 13 54.4011 0.3 . 1 . . . . . 130 ALA CA . 52623 1 545 . 1 . 1 151 151 ALA CB C 13 17.6927 0.3 . 1 . . . . . 130 ALA CB . 52623 1 546 . 1 . 1 151 151 ALA N N 15 121.7156 0.3 . 1 . . . . . 130 ALA N . 52623 1 547 . 1 . 1 152 152 ALA H H 1 8.2816 0.2 . 1 . . . . . 131 ALA H . 52623 1 548 . 1 . 1 152 152 ALA C C 13 178.8474 0.3 . 1 . . . . . 131 ALA C . 52623 1 549 . 1 . 1 152 152 ALA CA C 13 54.4538 0.3 . 1 . . . . . 131 ALA CA . 52623 1 550 . 1 . 1 152 152 ALA CB C 13 17.3850 0.3 . 1 . . . . . 131 ALA CB . 52623 1 551 . 1 . 1 152 152 ALA N N 15 121.1556 0.3 . 1 . . . . . 131 ALA N . 52623 1 552 . 1 . 1 153 153 ALA H H 1 7.9016 0.2 . 1 . . . . . 132 ALA H . 52623 1 553 . 1 . 1 153 153 ALA C C 13 180.2673 0.3 . 1 . . . . . 132 ALA C . 52623 1 554 . 1 . 1 153 153 ALA CA C 13 54.3623 0.3 . 1 . . . . . 132 ALA CA . 52623 1 555 . 1 . 1 153 153 ALA CB C 13 17.3460 0.3 . 1 . . . . . 132 ALA CB . 52623 1 556 . 1 . 1 153 153 ALA N N 15 119.6256 0.3 . 1 . . . . . 132 ALA N . 52623 1 557 . 1 . 1 154 154 ARG H H 1 7.6916 0.2 . 1 . . . . . 133 ARG H . 52623 1 558 . 1 . 1 154 154 ARG C C 13 178.7479 0.3 . 1 . . . . . 133 ARG C . 52623 1 559 . 1 . 1 154 154 ARG CA C 13 58.2016 0.3 . 1 . . . . . 133 ARG CA . 52623 1 560 . 1 . 1 154 154 ARG CB C 13 29.1096 0.3 . 1 . . . . . 133 ARG CB . 52623 1 561 . 1 . 1 154 154 ARG N N 15 117.8756 0.3 . 1 . . . . . 133 ARG N . 52623 1 562 . 1 . 1 155 155 ALA H H 1 7.8016 0.2 . 1 . . . . . 134 ALA H . 52623 1 563 . 1 . 1 155 155 ALA C C 13 178.5434 0.3 . 1 . . . . . 134 ALA C . 52623 1 564 . 1 . 1 155 155 ALA CA C 13 54.1524 0.3 . 1 . . . . . 134 ALA CA . 52623 1 565 . 1 . 1 155 155 ALA CB C 13 17.5595 0.3 . 1 . . . . . 134 ALA CB . 52623 1 566 . 1 . 1 155 155 ALA N N 15 121.8156 0.3 . 1 . . . . . 134 ALA N . 52623 1 567 . 1 . 1 156 156 ALA H H 1 7.7216 0.2 . 1 . . . . . 135 ALA H . 52623 1 568 . 1 . 1 156 156 ALA C C 13 178.3016 0.3 . 1 . . . . . 135 ALA C . 52623 1 569 . 1 . 1 156 156 ALA CA C 13 52.8618 0.3 . 1 . . . . . 135 ALA CA . 52623 1 570 . 1 . 1 156 156 ALA CB C 13 17.8526 0.3 . 1 . . . . . 135 ALA CB . 52623 1 571 . 1 . 1 156 156 ALA N N 15 118.8056 0.3 . 1 . . . . . 135 ALA N . 52623 1 572 . 1 . 1 157 157 GLN H H 1 7.5016 0.2 . 1 . . . . . 136 GLN H . 52623 1 573 . 1 . 1 157 157 GLN C C 13 176.2723 0.3 . 1 . . . . . 136 GLN C . 52623 1 574 . 1 . 1 157 157 GLN CA C 13 56.0730 0.3 . 1 . . . . . 136 GLN CA . 52623 1 575 . 1 . 1 157 157 GLN CB C 13 28.2370 0.3 . 1 . . . . . 136 GLN CB . 52623 1 576 . 1 . 1 157 157 GLN N N 15 117.2156 0.3 . 1 . . . . . 136 GLN N . 52623 1 577 . 1 . 1 158 158 LYS H H 1 7.8116 0.2 . 1 . . . . . 137 LYS H . 52623 1 578 . 1 . 1 158 158 LYS C C 13 176.6080 0.3 . 1 . . . . . 137 LYS C . 52623 1 579 . 1 . 1 158 158 LYS CA C 13 56.1614 0.3 . 1 . . . . . 137 LYS CA . 52623 1 580 . 1 . 1 158 158 LYS CB C 13 31.5689 0.3 . 1 . . . . . 137 LYS CB . 52623 1 581 . 1 . 1 158 158 LYS N N 15 120.8856 0.3 . 1 . . . . . 137 LYS N . 52623 1 582 . 1 . 1 159 159 ARG H H 1 7.9316 0.2 . 1 . . . . . 138 ARG H . 52623 1 583 . 1 . 1 159 159 ARG C C 13 175.5525 0.3 . 1 . . . . . 138 ARG C . 52623 1 584 . 1 . 1 159 159 ARG CA C 13 55.7261 0.3 . 1 . . . . . 138 ARG CA . 52623 1 585 . 1 . 1 159 159 ARG CB C 13 29.7886 0.3 . 1 . . . . . 138 ARG CB . 52623 1 586 . 1 . 1 159 159 ARG N N 15 121.8656 0.3 . 1 . . . . . 138 ARG N . 52623 1 587 . 1 . 1 160 160 THR H H 1 7.5416 0.2 . 1 . . . . . 139 THR H . 52623 1 588 . 1 . 1 160 160 THR C C 13 179.0344 0.3 . 1 . . . . . 139 THR C . 52623 1 589 . 1 . 1 160 160 THR CA C 13 62.7016 0.3 . 1 . . . . . 139 THR CA . 52623 1 590 . 1 . 1 160 160 THR CB C 13 70.2260 0.3 . 1 . . . . . 139 THR CB . 52623 1 591 . 1 . 1 160 160 THR N N 15 120.2856 0.3 . 1 . . . . . 139 THR N . 52623 1 stop_ save_