data_30417 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30417 _Entry.Title ; NMR Structure of Salmonella Type III Secretion system protein OrgC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-26 _Entry.Accession_date 2018-02-26 _Entry.Last_release_date 2018-04-09 _Entry.Original_release_date 2018-04-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30417 stop_ 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 S. Dey S. . . . 30417 2 R. 'De Guzman' R. N. . . 30417 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 30417 'controls needle assembly of T3SS' . 30417 'early substrate of T3SS' . 30417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 30417 '15N chemical shifts' 123 30417 '1H chemical shifts' 245 30417 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-05-06 2018-02-26 update BMRB 'update entry citation' 30417 1 . . 2018-07-24 2018-02-26 original author 'original release' 30417 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6CJD . 30417 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30417 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.7554/eLife.35886 _Citation.PubMed_ID 30015613 _Citation.Full_citation . _Citation.Title ; A protein secreted by the Salmonella type III secretion system controls needle filament assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _Citation.Journal_CSD 0353 _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 e35886 _Citation.Page_last e35886 _Citation.Year 2018 _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 Junya Kato J. . . . 30417 1 2 Supratim Dey S. . . . 30417 1 3 Jose Soto J. E. . . 30417 1 4 Carmen Butan C. . . . 30417 1 5 Mason Wilkinson M. C. . . 30417 1 6 Roberto 'De Guzman' R. N. . . 30417 1 7 Jorge Galan J. E. . . 30417 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30417 _Assembly.ID 1 _Assembly.Name 'Putative cytoplasmic protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 30417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30417 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMVSLSARAAMLNNMDSAP LSNGGDVDLYDAFYQRLLAL PESASSETLKDSIYQEMNAF KDPNSGDSAFVSFEQQTAML QNMLAKVEPGTHLYEALNGV LVGSMNAQSQMTSWMQEIIL SGGENKEAIDW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14293.888 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Type III secretion system effector protein OrgC' na 30417 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 GLY . 30417 1 2 21 HIS . 30417 1 3 22 MET . 30417 1 4 23 VAL . 30417 1 5 24 SER . 30417 1 6 25 LEU . 30417 1 7 26 SER . 30417 1 8 27 ALA . 30417 1 9 28 ARG . 30417 1 10 29 ALA . 30417 1 11 30 ALA . 30417 1 12 31 MET . 30417 1 13 32 LEU . 30417 1 14 33 ASN . 30417 1 15 34 ASN . 30417 1 16 35 MET . 30417 1 17 36 ASP . 30417 1 18 37 SER . 30417 1 19 38 ALA . 30417 1 20 39 PRO . 30417 1 21 40 LEU . 30417 1 22 41 SER . 30417 1 23 42 ASN . 30417 1 24 43 GLY . 30417 1 25 44 GLY . 30417 1 26 45 ASP . 30417 1 27 46 VAL . 30417 1 28 47 ASP . 30417 1 29 48 LEU . 30417 1 30 49 TYR . 30417 1 31 50 ASP . 30417 1 32 51 ALA . 30417 1 33 52 PHE . 30417 1 34 53 TYR . 30417 1 35 54 GLN . 30417 1 36 55 ARG . 30417 1 37 56 LEU . 30417 1 38 57 LEU . 30417 1 39 58 ALA . 30417 1 40 59 LEU . 30417 1 41 60 PRO . 30417 1 42 61 GLU . 30417 1 43 62 SER . 30417 1 44 63 ALA . 30417 1 45 64 SER . 30417 1 46 65 SER . 30417 1 47 66 GLU . 30417 1 48 67 THR . 30417 1 49 68 LEU . 30417 1 50 69 LYS . 30417 1 51 70 ASP . 30417 1 52 71 SER . 30417 1 53 72 ILE . 30417 1 54 73 TYR . 30417 1 55 74 GLN . 30417 1 56 75 GLU . 30417 1 57 76 MET . 30417 1 58 77 ASN . 30417 1 59 78 ALA . 30417 1 60 79 PHE . 30417 1 61 80 LYS . 30417 1 62 81 ASP . 30417 1 63 82 PRO . 30417 1 64 83 ASN . 30417 1 65 84 SER . 30417 1 66 85 GLY . 30417 1 67 86 ASP . 30417 1 68 87 SER . 30417 1 69 88 ALA . 30417 1 70 89 PHE . 30417 1 71 90 VAL . 30417 1 72 91 SER . 30417 1 73 92 PHE . 30417 1 74 93 GLU . 30417 1 75 94 GLN . 30417 1 76 95 GLN . 30417 1 77 96 THR . 30417 1 78 97 ALA . 30417 1 79 98 MET . 30417 1 80 99 LEU . 30417 1 81 100 GLN . 30417 1 82 101 ASN . 30417 1 83 102 MET . 30417 1 84 103 LEU . 30417 1 85 104 ALA . 30417 1 86 105 LYS . 30417 1 87 106 VAL . 30417 1 88 107 GLU . 30417 1 89 108 PRO . 30417 1 90 109 GLY . 30417 1 91 110 THR . 30417 1 92 111 HIS . 30417 1 93 112 LEU . 30417 1 94 113 TYR . 30417 1 95 114 GLU . 30417 1 96 115 ALA . 30417 1 97 116 LEU . 30417 1 98 117 ASN . 30417 1 99 118 GLY . 30417 1 100 119 VAL . 30417 1 101 120 LEU . 30417 1 102 121 VAL . 30417 1 103 122 GLY . 30417 1 104 123 SER . 30417 1 105 124 MET . 30417 1 106 125 ASN . 30417 1 107 126 ALA . 30417 1 108 127 GLN . 30417 1 109 128 SER . 30417 1 110 129 GLN . 30417 1 111 130 MET . 30417 1 112 131 THR . 30417 1 113 132 SER . 30417 1 114 133 TRP . 30417 1 115 134 MET . 30417 1 116 135 GLN . 30417 1 117 136 GLU . 30417 1 118 137 ILE . 30417 1 119 138 ILE . 30417 1 120 139 LEU . 30417 1 121 140 SER . 30417 1 122 141 GLY . 30417 1 123 142 GLY . 30417 1 124 143 GLU . 30417 1 125 144 ASN . 30417 1 126 145 LYS . 30417 1 127 146 GLU . 30417 1 128 147 ALA . 30417 1 129 148 ILE . 30417 1 130 149 ASP . 30417 1 131 150 TRP . 30417 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 . GLY 1 1 30417 1 . HIS 2 2 30417 1 . MET 3 3 30417 1 . VAL 4 4 30417 1 . SER 5 5 30417 1 . LEU 6 6 30417 1 . SER 7 7 30417 1 . ALA 8 8 30417 1 . ARG 9 9 30417 1 . ALA 10 10 30417 1 . ALA 11 11 30417 1 . MET 12 12 30417 1 . LEU 13 13 30417 1 . ASN 14 14 30417 1 . ASN 15 15 30417 1 . MET 16 16 30417 1 . ASP 17 17 30417 1 . SER 18 18 30417 1 . ALA 19 19 30417 1 . PRO 20 20 30417 1 . LEU 21 21 30417 1 . SER 22 22 30417 1 . ASN 23 23 30417 1 . GLY 24 24 30417 1 . GLY 25 25 30417 1 . ASP 26 26 30417 1 . VAL 27 27 30417 1 . ASP 28 28 30417 1 . LEU 29 29 30417 1 . TYR 30 30 30417 1 . ASP 31 31 30417 1 . ALA 32 32 30417 1 . PHE 33 33 30417 1 . TYR 34 34 30417 1 . GLN 35 35 30417 1 . ARG 36 36 30417 1 . LEU 37 37 30417 1 . LEU 38 38 30417 1 . ALA 39 39 30417 1 . LEU 40 40 30417 1 . PRO 41 41 30417 1 . GLU 42 42 30417 1 . SER 43 43 30417 1 . ALA 44 44 30417 1 . SER 45 45 30417 1 . SER 46 46 30417 1 . GLU 47 47 30417 1 . THR 48 48 30417 1 . LEU 49 49 30417 1 . LYS 50 50 30417 1 . ASP 51 51 30417 1 . SER 52 52 30417 1 . ILE 53 53 30417 1 . TYR 54 54 30417 1 . GLN 55 55 30417 1 . GLU 56 56 30417 1 . MET 57 57 30417 1 . ASN 58 58 30417 1 . ALA 59 59 30417 1 . PHE 60 60 30417 1 . LYS 61 61 30417 1 . ASP 62 62 30417 1 . PRO 63 63 30417 1 . ASN 64 64 30417 1 . SER 65 65 30417 1 . GLY 66 66 30417 1 . ASP 67 67 30417 1 . SER 68 68 30417 1 . ALA 69 69 30417 1 . PHE 70 70 30417 1 . VAL 71 71 30417 1 . SER 72 72 30417 1 . PHE 73 73 30417 1 . GLU 74 74 30417 1 . GLN 75 75 30417 1 . GLN 76 76 30417 1 . THR 77 77 30417 1 . ALA 78 78 30417 1 . MET 79 79 30417 1 . LEU 80 80 30417 1 . GLN 81 81 30417 1 . ASN 82 82 30417 1 . MET 83 83 30417 1 . LEU 84 84 30417 1 . ALA 85 85 30417 1 . LYS 86 86 30417 1 . VAL 87 87 30417 1 . GLU 88 88 30417 1 . PRO 89 89 30417 1 . GLY 90 90 30417 1 . THR 91 91 30417 1 . HIS 92 92 30417 1 . LEU 93 93 30417 1 . TYR 94 94 30417 1 . GLU 95 95 30417 1 . ALA 96 96 30417 1 . LEU 97 97 30417 1 . ASN 98 98 30417 1 . GLY 99 99 30417 1 . VAL 100 100 30417 1 . LEU 101 101 30417 1 . VAL 102 102 30417 1 . GLY 103 103 30417 1 . SER 104 104 30417 1 . MET 105 105 30417 1 . ASN 106 106 30417 1 . ALA 107 107 30417 1 . GLN 108 108 30417 1 . SER 109 109 30417 1 . GLN 110 110 30417 1 . MET 111 111 30417 1 . THR 112 112 30417 1 . SER 113 113 30417 1 . TRP 114 114 30417 1 . MET 115 115 30417 1 . GLN 116 116 30417 1 . GLU 117 117 30417 1 . ILE 118 118 30417 1 . ILE 119 119 30417 1 . LEU 120 120 30417 1 . SER 121 121 30417 1 . GLY 122 122 30417 1 . GLY 123 123 30417 1 . GLU 124 124 30417 1 . ASN 125 125 30417 1 . LYS 126 126 30417 1 . GLU 127 127 30417 1 . ALA 128 128 30417 1 . ILE 129 129 30417 1 . ASP 130 130 30417 1 . TRP 131 131 30417 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30417 _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 . 59201 organism . 'Salmonella enterica I' 'Salmonella enterica' . . Bacteria . Salmonella enterica . . . . . . . . . . . 'orgC, CVR97_12460, SE14_03054' . 30417 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30417 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 30417 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30417 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-99% 15N] OrgC, 1.2 mM [U-13C; U-15N] OrgC, 1.2 mM [U-13C] OrgC, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OrgC '[U-99% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30417 1 2 OrgC '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30417 1 3 OrgC [U-13C] . . 1 $entity_1 . . 1.2 . . mM . . . . 30417 1 4 MES 'natural abundance' . . . . . . 2 . . mM . . . . 30417 1 5 NaCl 'natural abundance' . . . . . . 75 . . mM . . . . 30417 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 30417 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 75 . mM 30417 1 pH 6.5 . pH* 30417 1 pressure 1 . mbar 30417 1 temperature 298 . K 30417 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30417 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30417 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30417 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30417 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30417 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30417 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30417 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30417 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30417 3 'peak picking' 30417 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30417 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 30417 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30417 _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 'HMQC NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30417 1 2 'HSQC NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30417 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 30417 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30417 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30417 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30417 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 30417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 'HMQC NOESY' . . . 30417 1 2 'HSQC NOESY' . . . 30417 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 HIS HA H 1 4.689 . . 1 . . . . A 21 HIS HA . 30417 1 2 . 1 1 3 3 MET H H 1 8.531 . . 1 . . . . A 22 MET H . 30417 1 3 . 1 1 3 3 MET CA C 13 55.626 . . 1 . . . . A 22 MET CA . 30417 1 4 . 1 1 3 3 MET CB C 13 32.967 . . 1 . . . . A 22 MET CB . 30417 1 5 . 1 1 3 3 MET N N 15 122.878 . . 1 . . . . A 22 MET N . 30417 1 6 . 1 1 4 4 VAL H H 1 8.287 . . 1 . . . . A 23 VAL H . 30417 1 7 . 1 1 4 4 VAL HA H 1 4.100 . . 1 . . . . A 23 VAL HA . 30417 1 8 . 1 1 4 4 VAL HB H 1 2.027 . . 1 . . . . A 23 VAL HB . 30417 1 9 . 1 1 4 4 VAL CA C 13 62.273 . . 1 . . . . A 23 VAL CA . 30417 1 10 . 1 1 4 4 VAL CB C 13 32.906 . . 1 . . . . A 23 VAL CB . 30417 1 11 . 1 1 4 4 VAL N N 15 122.363 . . 1 . . . . A 23 VAL N . 30417 1 12 . 1 1 5 5 SER H H 1 8.405 . . 1 . . . . A 24 SER H . 30417 1 13 . 1 1 5 5 SER CA C 13 57.958 . . 1 . . . . A 24 SER CA . 30417 1 14 . 1 1 5 5 SER CB C 13 63.889 . . 1 . . . . A 24 SER CB . 30417 1 15 . 1 1 5 5 SER N N 15 119.854 . . 1 . . . . A 24 SER N . 30417 1 16 . 1 1 6 6 LEU H H 1 8.474 . . 1 . . . . A 25 LEU H . 30417 1 17 . 1 1 6 6 LEU CA C 13 55.903 . . 1 . . . . A 25 LEU CA . 30417 1 18 . 1 1 6 6 LEU CB C 13 42.157 . . 1 . . . . A 25 LEU CB . 30417 1 19 . 1 1 6 6 LEU N N 15 124.859 . . 1 . . . . A 25 LEU N . 30417 1 20 . 1 1 7 7 SER H H 1 8.264 . . 1 . . . . A 26 SER H . 30417 1 21 . 1 1 7 7 SER HA H 1 4.054 . . 1 . . . . A 26 SER HA . 30417 1 22 . 1 1 7 7 SER CA C 13 58.771 . . 1 . . . . A 26 SER CA . 30417 1 23 . 1 1 7 7 SER CB C 13 63.578 . . 1 . . . . A 26 SER CB . 30417 1 24 . 1 1 7 7 SER N N 15 115.802 . . 1 . . . . A 26 SER N . 30417 1 25 . 1 1 8 8 ALA H H 1 8.224 . . 1 . . . . A 27 ALA H . 30417 1 26 . 1 1 8 8 ALA HA H 1 4.501 . . 1 . . . . A 27 ALA HA . 30417 1 27 . 1 1 8 8 ALA CA C 13 53.383 . . 1 . . . . A 27 ALA CA . 30417 1 28 . 1 1 8 8 ALA CB C 13 18.755 . . 1 . . . . A 27 ALA CB . 30417 1 29 . 1 1 8 8 ALA N N 15 126.021 . . 1 . . . . A 27 ALA N . 30417 1 30 . 1 1 9 9 ARG H H 1 8.153 . . 1 . . . . A 28 ARG H . 30417 1 31 . 1 1 9 9 ARG CA C 13 57.001 . . 1 . . . . A 28 ARG CA . 30417 1 32 . 1 1 9 9 ARG CB C 13 30.493 . . 1 . . . . A 28 ARG CB . 30417 1 33 . 1 1 9 9 ARG N N 15 119.371 . . 1 . . . . A 28 ARG N . 30417 1 34 . 1 1 10 10 ALA H H 1 8.117 . . 1 . . . . A 29 ALA H . 30417 1 35 . 1 1 10 10 ALA CA C 13 53.255 . . 1 . . . . A 29 ALA CA . 30417 1 36 . 1 1 10 10 ALA CB C 13 18.882 . . 1 . . . . A 29 ALA CB . 30417 1 37 . 1 1 10 10 ALA N N 15 123.726 . . 1 . . . . A 29 ALA N . 30417 1 38 . 1 1 11 11 ALA H H 1 8.062 . . 1 . . . . A 30 ALA H . 30417 1 39 . 1 1 11 11 ALA HA H 1 3.998 . . 1 . . . . A 30 ALA HA . 30417 1 40 . 1 1 11 11 ALA CA C 13 53.113 . . 1 . . . . A 30 ALA CA . 30417 1 41 . 1 1 11 11 ALA CB C 13 18.896 . . 1 . . . . A 30 ALA CB . 30417 1 42 . 1 1 11 11 ALA N N 15 121.683 . . 1 . . . . A 30 ALA N . 30417 1 43 . 1 1 12 12 MET H H 1 8.031 . . 1 . . . . A 31 MET H . 30417 1 44 . 1 1 12 12 MET CA C 13 55.998 . . 1 . . . . A 31 MET CA . 30417 1 45 . 1 1 12 12 MET CB C 13 32.802 . . 1 . . . . A 31 MET CB . 30417 1 46 . 1 1 12 12 MET N N 15 118.226 . . 1 . . . . A 31 MET N . 30417 1 47 . 1 1 13 13 LEU H H 1 8.048 . . 1 . . . . A 32 LEU H . 30417 1 48 . 1 1 13 13 LEU CA C 13 55.651 . . 1 . . . . A 32 LEU CA . 30417 1 49 . 1 1 13 13 LEU CB C 13 42.174 . . 1 . . . . A 32 LEU CB . 30417 1 50 . 1 1 13 13 LEU N N 15 121.860 . . 1 . . . . A 32 LEU N . 30417 1 51 . 1 1 14 14 ASN H H 1 8.281 . . 1 . . . . A 33 ASN H . 30417 1 52 . 1 1 14 14 ASN HA H 1 4.267 . . 1 . . . . A 33 ASN HA . 30417 1 53 . 1 1 14 14 ASN CA C 13 53.420 . . 1 . . . . A 33 ASN CA . 30417 1 54 . 1 1 14 14 ASN CB C 13 38.824 . . 1 . . . . A 33 ASN CB . 30417 1 55 . 1 1 14 14 ASN N N 15 118.229 . . 1 . . . . A 33 ASN N . 30417 1 56 . 1 1 15 15 ASN H H 1 8.288 . . 1 . . . . A 34 ASN H . 30417 1 57 . 1 1 15 15 ASN HA H 1 4.257 . . 1 . . . . A 34 ASN HA . 30417 1 58 . 1 1 15 15 ASN CA C 13 53.440 . . 1 . . . . A 34 ASN CA . 30417 1 59 . 1 1 15 15 ASN CB C 13 38.779 . . 1 . . . . A 34 ASN CB . 30417 1 60 . 1 1 15 15 ASN N N 15 118.446 . . 1 . . . . A 34 ASN N . 30417 1 61 . 1 1 16 16 MET H H 1 8.296 . . 1 . . . . A 35 MET H . 30417 1 62 . 1 1 16 16 MET HA H 1 4.452 . . 1 . . . . A 35 MET HA . 30417 1 63 . 1 1 16 16 MET CA C 13 55.853 . . 1 . . . . A 35 MET CA . 30417 1 64 . 1 1 16 16 MET CB C 13 32.641 . . 1 . . . . A 35 MET CB . 30417 1 65 . 1 1 16 16 MET N N 15 120.024 . . 1 . . . . A 35 MET N . 30417 1 66 . 1 1 17 17 ASP H H 1 8.307 . . 1 . . . . A 36 ASP H . 30417 1 67 . 1 1 17 17 ASP HA H 1 4.583 . . 1 . . . . A 36 ASP HA . 30417 1 68 . 1 1 17 17 ASP CA C 13 54.650 . . 1 . . . . A 36 ASP CA . 30417 1 69 . 1 1 17 17 ASP CB C 13 41.073 . . 1 . . . . A 36 ASP CB . 30417 1 70 . 1 1 17 17 ASP N N 15 120.886 . . 1 . . . . A 36 ASP N . 30417 1 71 . 1 1 18 18 SER H H 1 8.081 . . 1 . . . . A 37 SER H . 30417 1 72 . 1 1 18 18 SER HA H 1 3.826 . . 1 . . . . A 37 SER HA . 30417 1 73 . 1 1 18 18 SER CA C 13 58.134 . . 1 . . . . A 37 SER CA . 30417 1 74 . 1 1 18 18 SER CB C 13 63.971 . . 1 . . . . A 37 SER CB . 30417 1 75 . 1 1 18 18 SER N N 15 115.429 . . 1 . . . . A 37 SER N . 30417 1 76 . 1 1 19 19 ALA H H 1 8.226 . . 1 . . . . A 38 ALA H . 30417 1 77 . 1 1 19 19 ALA CA C 13 50.797 . . 1 . . . . A 38 ALA CA . 30417 1 78 . 1 1 19 19 ALA CB C 13 18.197 . . 1 . . . . A 38 ALA CB . 30417 1 79 . 1 1 19 19 ALA N N 15 126.956 . . 1 . . . . A 38 ALA N . 30417 1 80 . 1 1 20 20 PRO HA H 1 4.399 . . 1 . . . . A 39 PRO HA . 30417 1 81 . 1 1 21 21 LEU H H 1 8.362 . . 1 . . . . A 40 LEU H . 30417 1 82 . 1 1 21 21 LEU HA H 1 4.312 . . 1 . . . . A 40 LEU HA . 30417 1 83 . 1 1 21 21 LEU CA C 13 55.202 . . 1 . . . . A 40 LEU CA . 30417 1 84 . 1 1 21 21 LEU CB C 13 42.160 . . 1 . . . . A 40 LEU CB . 30417 1 85 . 1 1 21 21 LEU N N 15 122.118 . . 1 . . . . A 40 LEU N . 30417 1 86 . 1 1 22 22 SER H H 1 8.299 . . 1 . . . . A 41 SER H . 30417 1 87 . 1 1 22 22 SER HA H 1 3.835 . . 1 . . . . A 41 SER HA . 30417 1 88 . 1 1 22 22 SER CA C 13 58.163 . . 1 . . . . A 41 SER CA . 30417 1 89 . 1 1 22 22 SER CB C 13 63.881 . . 1 . . . . A 41 SER CB . 30417 1 90 . 1 1 22 22 SER N N 15 116.327 . . 1 . . . . A 41 SER N . 30417 1 91 . 1 1 23 23 ASN H H 1 8.521 . . 1 . . . . A 42 ASN H . 30417 1 92 . 1 1 23 23 ASN HA H 1 4.733 . . 1 . . . . A 42 ASN HA . 30417 1 93 . 1 1 23 23 ASN CA C 13 53.222 . . 1 . . . . A 42 ASN CA . 30417 1 94 . 1 1 23 23 ASN CB C 13 39.007 . . 1 . . . . A 42 ASN CB . 30417 1 95 . 1 1 23 23 ASN N N 15 120.942 . . 1 . . . . A 42 ASN N . 30417 1 96 . 1 1 24 24 GLY H H 1 8.445 . . 1 . . . . A 43 GLY H . 30417 1 97 . 1 1 24 24 GLY CA C 13 45.604 . . 1 . . . . A 43 GLY CA . 30417 1 98 . 1 1 24 24 GLY N N 15 109.259 . . 1 . . . . A 43 GLY N . 30417 1 99 . 1 1 25 25 GLY H H 1 8.381 . . 1 . . . . A 44 GLY H . 30417 1 100 . 1 1 25 25 GLY CA C 13 45.287 . . 1 . . . . A 44 GLY CA . 30417 1 101 . 1 1 25 25 GLY N N 15 108.808 . . 1 . . . . A 44 GLY N . 30417 1 102 . 1 1 26 26 ASP H H 1 8.182 . . 1 . . . . A 45 ASP H . 30417 1 103 . 1 1 26 26 ASP HA H 1 4.506 . . 1 . . . . A 45 ASP HA . 30417 1 104 . 1 1 26 26 ASP CA C 13 54.705 . . 1 . . . . A 45 ASP CA . 30417 1 105 . 1 1 26 26 ASP CB C 13 40.770 . . 1 . . . . A 45 ASP CB . 30417 1 106 . 1 1 26 26 ASP N N 15 120.659 . . 1 . . . . A 45 ASP N . 30417 1 107 . 1 1 27 27 VAL H H 1 8.131 . . 1 . . . . A 46 VAL H . 30417 1 108 . 1 1 27 27 VAL HA H 1 4.475 . . 1 . . . . A 46 VAL HA . 30417 1 109 . 1 1 27 27 VAL HB H 1 1.999 . . 1 . . . . A 46 VAL HB . 30417 1 110 . 1 1 27 27 VAL CA C 13 63.345 . . 1 . . . . A 46 VAL CA . 30417 1 111 . 1 1 27 27 VAL CB C 13 32.602 . . 1 . . . . A 46 VAL CB . 30417 1 112 . 1 1 27 27 VAL N N 15 120.100 . . 1 . . . . A 46 VAL N . 30417 1 113 . 1 1 28 28 ASP H H 1 8.413 . . 1 . . . . A 47 ASP H . 30417 1 114 . 1 1 28 28 ASP HA H 1 4.520 . . 1 . . . . A 47 ASP HA . 30417 1 115 . 1 1 28 28 ASP CA C 13 55.465 . . 1 . . . . A 47 ASP CA . 30417 1 116 . 1 1 28 28 ASP CB C 13 41.297 . . 1 . . . . A 47 ASP CB . 30417 1 117 . 1 1 28 28 ASP N N 15 124.018 . . 1 . . . . A 47 ASP N . 30417 1 118 . 1 1 29 29 LEU H H 1 8.252 . . 1 . . . . A 48 LEU H . 30417 1 119 . 1 1 29 29 LEU HA H 1 4.135 . . 1 . . . . A 48 LEU HA . 30417 1 120 . 1 1 29 29 LEU HB2 H 1 1.754 . . 2 . . . . A 48 LEU HB2 . 30417 1 121 . 1 1 29 29 LEU HB3 H 1 1.617 . . 2 . . . . A 48 LEU HB3 . 30417 1 122 . 1 1 29 29 LEU CA C 13 58.317 . . 1 . . . . A 48 LEU CA . 30417 1 123 . 1 1 29 29 LEU CB C 13 41.865 . . 1 . . . . A 48 LEU CB . 30417 1 124 . 1 1 29 29 LEU N N 15 125.136 . . 1 . . . . A 48 LEU N . 30417 1 125 . 1 1 30 30 TYR H H 1 8.113 . . 1 . . . . A 49 TYR H . 30417 1 126 . 1 1 30 30 TYR HA H 1 4.535 . . 1 . . . . A 49 TYR HA . 30417 1 127 . 1 1 30 30 TYR CA C 13 58.311 . . 1 . . . . A 49 TYR CA . 30417 1 128 . 1 1 30 30 TYR CB C 13 35.417 . . 1 . . . . A 49 TYR CB . 30417 1 129 . 1 1 30 30 TYR N N 15 117.738 . . 1 . . . . A 49 TYR N . 30417 1 130 . 1 1 31 31 ASP H H 1 8.616 . . 1 . . . . A 50 ASP H . 30417 1 131 . 1 1 31 31 ASP HA H 1 4.549 . . 1 . . . . A 50 ASP HA . 30417 1 132 . 1 1 31 31 ASP CA C 13 58.013 . . 1 . . . . A 50 ASP CA . 30417 1 133 . 1 1 31 31 ASP CB C 13 40.871 . . 1 . . . . A 50 ASP CB . 30417 1 134 . 1 1 31 31 ASP N N 15 121.677 . . 1 . . . . A 50 ASP N . 30417 1 135 . 1 1 32 32 ALA H H 1 8.198 . . 1 . . . . A 51 ALA H . 30417 1 136 . 1 1 32 32 ALA HA H 1 4.280 . . 1 . . . . A 51 ALA HA . 30417 1 137 . 1 1 32 32 ALA CA C 13 55.227 . . 1 . . . . A 51 ALA CA . 30417 1 138 . 1 1 32 32 ALA CB C 13 18.147 . . 1 . . . . A 51 ALA CB . 30417 1 139 . 1 1 32 32 ALA N N 15 121.208 . . 1 . . . . A 51 ALA N . 30417 1 140 . 1 1 33 33 PHE H H 1 8.554 . . 1 . . . . A 52 PHE H . 30417 1 141 . 1 1 33 33 PHE HA H 1 3.743 . . 1 . . . . A 52 PHE HA . 30417 1 142 . 1 1 33 33 PHE CA C 13 62.128 . . 1 . . . . A 52 PHE CA . 30417 1 143 . 1 1 33 33 PHE CB C 13 38.960 . . 1 . . . . A 52 PHE CB . 30417 1 144 . 1 1 33 33 PHE N N 15 120.979 . . 1 . . . . A 52 PHE N . 30417 1 145 . 1 1 34 34 TYR H H 1 8.741 . . 1 . . . . A 53 TYR H . 30417 1 146 . 1 1 34 34 TYR HA H 1 4.095 . . 1 . . . . A 53 TYR HA . 30417 1 147 . 1 1 34 34 TYR CA C 13 61.079 . . 1 . . . . A 53 TYR CA . 30417 1 148 . 1 1 34 34 TYR CB C 13 37.965 . . 1 . . . . A 53 TYR CB . 30417 1 149 . 1 1 34 34 TYR N N 15 120.697 . . 1 . . . . A 53 TYR N . 30417 1 150 . 1 1 35 35 GLN H H 1 7.718 . . 1 . . . . A 54 GLN H . 30417 1 151 . 1 1 35 35 GLN HA H 1 3.618 . . 1 . . . . A 54 GLN HA . 30417 1 152 . 1 1 35 35 GLN CA C 13 58.551 . . 1 . . . . A 54 GLN CA . 30417 1 153 . 1 1 35 35 GLN CB C 13 27.946 . . 1 . . . . A 54 GLN CB . 30417 1 154 . 1 1 35 35 GLN N N 15 113.663 . . 1 . . . . A 54 GLN N . 30417 1 155 . 1 1 36 36 ARG H H 1 7.278 . . 1 . . . . A 55 ARG H . 30417 1 156 . 1 1 36 36 ARG HA H 1 3.915 . . 1 . . . . A 55 ARG HA . 30417 1 157 . 1 1 36 36 ARG CA C 13 57.382 . . 1 . . . . A 55 ARG CA . 30417 1 158 . 1 1 36 36 ARG CB C 13 27.789 . . 1 . . . . A 55 ARG CB . 30417 1 159 . 1 1 36 36 ARG N N 15 117.546 . . 1 . . . . A 55 ARG N . 30417 1 160 . 1 1 37 37 LEU H H 1 7.431 . . 1 . . . . A 56 LEU H . 30417 1 161 . 1 1 37 37 LEU HA H 1 3.721 . . 1 . . . . A 56 LEU HA . 30417 1 162 . 1 1 37 37 LEU CA C 13 57.009 . . 1 . . . . A 56 LEU CA . 30417 1 163 . 1 1 37 37 LEU CB C 13 40.499 . . 1 . . . . A 56 LEU CB . 30417 1 164 . 1 1 37 37 LEU N N 15 118.236 . . 1 . . . . A 56 LEU N . 30417 1 165 . 1 1 38 38 LEU H H 1 7.721 . . 1 . . . . A 57 LEU H . 30417 1 166 . 1 1 38 38 LEU HA H 1 3.840 . . 1 . . . . A 57 LEU HA . 30417 1 167 . 1 1 38 38 LEU CA C 13 56.269 . . 1 . . . . A 57 LEU CA . 30417 1 168 . 1 1 38 38 LEU CB C 13 41.538 . . 1 . . . . A 57 LEU CB . 30417 1 169 . 1 1 38 38 LEU N N 15 117.992 . . 1 . . . . A 57 LEU N . 30417 1 170 . 1 1 39 39 ALA H H 1 6.944 . . 1 . . . . A 58 ALA H . 30417 1 171 . 1 1 39 39 ALA HA H 1 4.252 . . 1 . . . . A 58 ALA HA . 30417 1 172 . 1 1 39 39 ALA CA C 13 51.904 . . 1 . . . . A 58 ALA CA . 30417 1 173 . 1 1 39 39 ALA CB C 13 18.879 . . 1 . . . . A 58 ALA CB . 30417 1 174 . 1 1 39 39 ALA N N 15 118.211 . . 1 . . . . A 58 ALA N . 30417 1 175 . 1 1 40 40 LEU H H 1 7.149 . . 1 . . . . A 59 LEU H . 30417 1 176 . 1 1 40 40 LEU CA C 13 53.441 . . 1 . . . . A 59 LEU CA . 30417 1 177 . 1 1 40 40 LEU CB C 13 39.583 . . 1 . . . . A 59 LEU CB . 30417 1 178 . 1 1 40 40 LEU N N 15 120.271 . . 1 . . . . A 59 LEU N . 30417 1 179 . 1 1 41 41 PRO HA H 1 4.409 . . 1 . . . . A 60 PRO HA . 30417 1 180 . 1 1 42 42 GLU H H 1 8.580 . . 1 . . . . A 61 GLU H . 30417 1 181 . 1 1 42 42 GLU HA H 1 4.208 . . 1 . . . . A 61 GLU HA . 30417 1 182 . 1 1 42 42 GLU CA C 13 57.755 . . 1 . . . . A 61 GLU CA . 30417 1 183 . 1 1 42 42 GLU CB C 13 29.569 . . 1 . . . . A 61 GLU CB . 30417 1 184 . 1 1 42 42 GLU N N 15 124.653 . . 1 . . . . A 61 GLU N . 30417 1 185 . 1 1 43 43 SER H H 1 7.980 . . 1 . . . . A 62 SER H . 30417 1 186 . 1 1 43 43 SER HA H 1 3.988 . . 1 . . . . A 62 SER HA . 30417 1 187 . 1 1 43 43 SER CA C 13 57.813 . . 1 . . . . A 62 SER CA . 30417 1 188 . 1 1 43 43 SER CB C 13 63.644 . . 1 . . . . A 62 SER CB . 30417 1 189 . 1 1 43 43 SER N N 15 110.846 . . 1 . . . . A 62 SER N . 30417 1 190 . 1 1 44 44 ALA H H 1 7.418 . . 1 . . . . A 63 ALA H . 30417 1 191 . 1 1 44 44 ALA HA H 1 4.301 . . 1 . . . . A 63 ALA HA . 30417 1 192 . 1 1 44 44 ALA CA C 13 52.242 . . 1 . . . . A 63 ALA CA . 30417 1 193 . 1 1 44 44 ALA CB C 13 19.640 . . 1 . . . . A 63 ALA CB . 30417 1 194 . 1 1 44 44 ALA N N 15 125.260 . . 1 . . . . A 63 ALA N . 30417 1 195 . 1 1 45 45 SER H H 1 8.558 . . 1 . . . . A 64 SER H . 30417 1 196 . 1 1 45 45 SER HA H 1 3.994 . . 1 . . . . A 64 SER HA . 30417 1 197 . 1 1 45 45 SER CA C 13 57.197 . . 1 . . . . A 64 SER CA . 30417 1 198 . 1 1 45 45 SER CB C 13 64.530 . . 1 . . . . A 64 SER CB . 30417 1 199 . 1 1 45 45 SER N N 15 114.817 . . 1 . . . . A 64 SER N . 30417 1 200 . 1 1 46 46 SER H H 1 9.080 . . 1 . . . . A 65 SER H . 30417 1 201 . 1 1 46 46 SER CA C 13 61.729 . . 1 . . . . A 65 SER CA . 30417 1 202 . 1 1 46 46 SER CB C 13 64.521 . . 1 . . . . A 65 SER CB . 30417 1 203 . 1 1 46 46 SER N N 15 118.424 . . 1 . . . . A 65 SER N . 30417 1 204 . 1 1 47 47 GLU H H 1 8.399 . . 1 . . . . A 66 GLU H . 30417 1 205 . 1 1 47 47 GLU HA H 1 3.973 . . 1 . . . . A 66 GLU HA . 30417 1 206 . 1 1 47 47 GLU CA C 13 60.004 . . 1 . . . . A 66 GLU CA . 30417 1 207 . 1 1 47 47 GLU CB C 13 29.353 . . 1 . . . . A 66 GLU CB . 30417 1 208 . 1 1 47 47 GLU N N 15 120.750 . . 1 . . . . A 66 GLU N . 30417 1 209 . 1 1 48 48 THR H H 1 7.758 . . 1 . . . . A 67 THR H . 30417 1 210 . 1 1 48 48 THR HA H 1 4.273 . . 1 . . . . A 67 THR HA . 30417 1 211 . 1 1 48 48 THR CA C 13 65.826 . . 1 . . . . A 67 THR CA . 30417 1 212 . 1 1 48 48 THR CB C 13 68.528 . . 1 . . . . A 67 THR CB . 30417 1 213 . 1 1 48 48 THR N N 15 117.034 . . 1 . . . . A 67 THR N . 30417 1 214 . 1 1 50 50 LYS H H 1 8.337 . . 1 . . . . A 69 LYS H . 30417 1 215 . 1 1 50 50 LYS HA H 1 3.618 . . 1 . . . . A 69 LYS HA . 30417 1 216 . 1 1 50 50 LYS CA C 13 61.032 . . 1 . . . . A 69 LYS CA . 30417 1 217 . 1 1 50 50 LYS CB C 13 32.058 . . 1 . . . . A 69 LYS CB . 30417 1 218 . 1 1 50 50 LYS N N 15 120.153 . . 1 . . . . A 69 LYS N . 30417 1 219 . 1 1 51 51 ASP H H 1 7.400 . . 1 . . . . A 70 ASP H . 30417 1 220 . 1 1 51 51 ASP CA C 13 57.725 . . 1 . . . . A 70 ASP CA . 30417 1 221 . 1 1 51 51 ASP CB C 13 40.480 . . 1 . . . . A 70 ASP CB . 30417 1 222 . 1 1 51 51 ASP N N 15 117.766 . . 1 . . . . A 70 ASP N . 30417 1 223 . 1 1 52 52 SER HA H 1 4.304 . . 1 . . . . A 71 SER HA . 30417 1 224 . 1 1 52 52 SER HB2 H 1 4.001 . . 1 . . . . A 71 SER HB2 . 30417 1 225 . 1 1 52 52 SER HB3 H 1 4.001 . . 1 . . . . A 71 SER HB3 . 30417 1 226 . 1 1 53 53 ILE H H 1 8.838 . . 1 . . . . A 72 ILE H . 30417 1 227 . 1 1 53 53 ILE HA H 1 3.389 . . 1 . . . . A 72 ILE HA . 30417 1 228 . 1 1 53 53 ILE HB H 1 1.822 . . 1 . . . . A 72 ILE HB . 30417 1 229 . 1 1 53 53 ILE CA C 13 66.590 . . 1 . . . . A 72 ILE CA . 30417 1 230 . 1 1 53 53 ILE CB C 13 37.427 . . 1 . . . . A 72 ILE CB . 30417 1 231 . 1 1 53 53 ILE N N 15 123.031 . . 1 . . . . A 72 ILE N . 30417 1 232 . 1 1 54 54 TYR H H 1 8.288 . . 1 . . . . A 73 TYR H . 30417 1 233 . 1 1 54 54 TYR HA H 1 4.053 . . 1 . . . . A 73 TYR HA . 30417 1 234 . 1 1 54 54 TYR CA C 13 63.348 . . 1 . . . . A 73 TYR CA . 30417 1 235 . 1 1 54 54 TYR CB C 13 38.542 . . 1 . . . . A 73 TYR CB . 30417 1 236 . 1 1 54 54 TYR N N 15 119.629 . . 1 . . . . A 73 TYR N . 30417 1 237 . 1 1 55 55 GLN H H 1 8.099 . . 1 . . . . A 74 GLN H . 30417 1 238 . 1 1 55 55 GLN HA H 1 4.097 . . 1 . . . . A 74 GLN HA . 30417 1 239 . 1 1 55 55 GLN CA C 13 59.241 . . 1 . . . . A 74 GLN CA . 30417 1 240 . 1 1 55 55 GLN CB C 13 28.399 . . 1 . . . . A 74 GLN CB . 30417 1 241 . 1 1 55 55 GLN N N 15 117.513 . . 1 . . . . A 74 GLN N . 30417 1 242 . 1 1 56 56 GLU H H 1 8.762 . . 1 . . . . A 75 GLU H . 30417 1 243 . 1 1 56 56 GLU HA H 1 4.186 . . 1 . . . . A 75 GLU HA . 30417 1 244 . 1 1 56 56 GLU CA C 13 59.209 . . 1 . . . . A 75 GLU CA . 30417 1 245 . 1 1 56 56 GLU CB C 13 28.894 . . 1 . . . . A 75 GLU CB . 30417 1 246 . 1 1 56 56 GLU N N 15 119.418 . . 1 . . . . A 75 GLU N . 30417 1 247 . 1 1 57 57 MET H H 1 9.350 . . 1 . . . . A 76 MET H . 30417 1 248 . 1 1 57 57 MET HA H 1 3.999 . . 1 . . . . A 76 MET HA . 30417 1 249 . 1 1 57 57 MET CA C 13 59.839 . . 1 . . . . A 76 MET CA . 30417 1 250 . 1 1 57 57 MET CB C 13 33.995 . . 1 . . . . A 76 MET CB . 30417 1 251 . 1 1 57 57 MET N N 15 119.881 . . 1 . . . . A 76 MET N . 30417 1 252 . 1 1 58 58 ASN H H 1 7.886 . . 1 . . . . A 77 ASN H . 30417 1 253 . 1 1 58 58 ASN HA H 1 4.608 . . 1 . . . . A 77 ASN HA . 30417 1 254 . 1 1 58 58 ASN CA C 13 55.552 . . 1 . . . . A 77 ASN CA . 30417 1 255 . 1 1 58 58 ASN CB C 13 38.959 . . 1 . . . . A 77 ASN CB . 30417 1 256 . 1 1 58 58 ASN N N 15 115.323 . . 1 . . . . A 77 ASN N . 30417 1 257 . 1 1 59 59 ALA H H 1 7.645 . . 1 . . . . A 78 ALA H . 30417 1 258 . 1 1 59 59 ALA HA H 1 4.417 . . 1 . . . . A 78 ALA HA . 30417 1 259 . 1 1 59 59 ALA CA C 13 52.687 . . 1 . . . . A 78 ALA CA . 30417 1 260 . 1 1 59 59 ALA CB C 13 20.172 . . 1 . . . . A 78 ALA CB . 30417 1 261 . 1 1 59 59 ALA N N 15 119.639 . . 1 . . . . A 78 ALA N . 30417 1 262 . 1 1 60 60 PHE H H 1 7.575 . . 1 . . . . A 79 PHE H . 30417 1 263 . 1 1 60 60 PHE HA H 1 4.323 . . 1 . . . . A 79 PHE HA . 30417 1 264 . 1 1 60 60 PHE CA C 13 61.099 . . 1 . . . . A 79 PHE CA . 30417 1 265 . 1 1 60 60 PHE CB C 13 39.467 . . 1 . . . . A 79 PHE CB . 30417 1 266 . 1 1 60 60 PHE N N 15 119.119 . . 1 . . . . A 79 PHE N . 30417 1 267 . 1 1 61 61 LYS H H 1 8.052 . . 1 . . . . A 80 LYS H . 30417 1 268 . 1 1 61 61 LYS HA H 1 4.404 . . 1 . . . . A 80 LYS HA . 30417 1 269 . 1 1 61 61 LYS CA C 13 53.032 . . 1 . . . . A 80 LYS CA . 30417 1 270 . 1 1 61 61 LYS CB C 13 33.344 . . 1 . . . . A 80 LYS CB . 30417 1 271 . 1 1 61 61 LYS N N 15 127.138 . . 1 . . . . A 80 LYS N . 30417 1 272 . 1 1 62 62 ASP H H 1 8.597 . . 1 . . . . A 81 ASP H . 30417 1 273 . 1 1 62 62 ASP CA C 13 51.489 . . 1 . . . . A 81 ASP CA . 30417 1 274 . 1 1 62 62 ASP CB C 13 42.015 . . 1 . . . . A 81 ASP CB . 30417 1 275 . 1 1 62 62 ASP N N 15 121.927 . . 1 . . . . A 81 ASP N . 30417 1 276 . 1 1 63 63 PRO HA H 1 4.183 . . 1 . . . . A 82 PRO HA . 30417 1 277 . 1 1 64 64 ASN H H 1 8.677 . . 1 . . . . A 83 ASN H . 30417 1 278 . 1 1 64 64 ASN HA H 1 4.638 . . 1 . . . . A 83 ASN HA . 30417 1 279 . 1 1 64 64 ASN CA C 13 54.739 . . 1 . . . . A 83 ASN CA . 30417 1 280 . 1 1 64 64 ASN CB C 13 39.399 . . 1 . . . . A 83 ASN CB . 30417 1 281 . 1 1 64 64 ASN N N 15 114.940 . . 1 . . . . A 83 ASN N . 30417 1 282 . 1 1 65 65 SER H H 1 7.943 . . 1 . . . . A 84 SER H . 30417 1 283 . 1 1 65 65 SER HA H 1 3.907 . . 1 . . . . A 84 SER HA . 30417 1 284 . 1 1 65 65 SER CA C 13 58.625 . . 1 . . . . A 84 SER CA . 30417 1 285 . 1 1 65 65 SER CB C 13 65.678 . . 1 . . . . A 84 SER CB . 30417 1 286 . 1 1 65 65 SER N N 15 112.544 . . 1 . . . . A 84 SER N . 30417 1 287 . 1 1 66 66 GLY H H 1 8.427 . . 1 . . . . A 85 GLY H . 30417 1 288 . 1 1 66 66 GLY CA C 13 45.503 . . 1 . . . . A 85 GLY CA . 30417 1 289 . 1 1 66 66 GLY N N 15 111.354 . . 1 . . . . A 85 GLY N . 30417 1 290 . 1 1 67 67 ASP H H 1 7.982 . . 1 . . . . A 86 ASP H . 30417 1 291 . 1 1 67 67 ASP HA H 1 4.704 . . 1 . . . . A 86 ASP HA . 30417 1 292 . 1 1 67 67 ASP CA C 13 53.302 . . 1 . . . . A 86 ASP CA . 30417 1 293 . 1 1 67 67 ASP CB C 13 41.647 . . 1 . . . . A 86 ASP CB . 30417 1 294 . 1 1 67 67 ASP N N 15 120.189 . . 1 . . . . A 86 ASP N . 30417 1 295 . 1 1 68 68 SER H H 1 8.772 . . 1 . . . . A 87 SER H . 30417 1 296 . 1 1 68 68 SER HA H 1 3.883 . . 1 . . . . A 87 SER HA . 30417 1 297 . 1 1 68 68 SER CA C 13 60.653 . . 1 . . . . A 87 SER CA . 30417 1 298 . 1 1 68 68 SER CB C 13 63.208 . . 1 . . . . A 87 SER CB . 30417 1 299 . 1 1 68 68 SER N N 15 117.481 . . 1 . . . . A 87 SER N . 30417 1 300 . 1 1 69 69 ALA H H 1 7.841 . . 1 . . . . A 88 ALA H . 30417 1 301 . 1 1 69 69 ALA HA H 1 3.895 . . 1 . . . . A 88 ALA HA . 30417 1 302 . 1 1 69 69 ALA CA C 13 53.924 . . 1 . . . . A 88 ALA CA . 30417 1 303 . 1 1 69 69 ALA CB C 13 20.190 . . 1 . . . . A 88 ALA CB . 30417 1 304 . 1 1 69 69 ALA N N 15 126.246 . . 1 . . . . A 88 ALA N . 30417 1 305 . 1 1 70 70 PHE H H 1 9.057 . . 1 . . . . A 89 PHE H . 30417 1 306 . 1 1 70 70 PHE HA H 1 4.957 . . 1 . . . . A 89 PHE HA . 30417 1 307 . 1 1 70 70 PHE CA C 13 53.741 . . 1 . . . . A 89 PHE CA . 30417 1 308 . 1 1 70 70 PHE CB C 13 38.253 . . 1 . . . . A 89 PHE CB . 30417 1 309 . 1 1 70 70 PHE N N 15 117.371 . . 1 . . . . A 89 PHE N . 30417 1 310 . 1 1 71 71 VAL H H 1 7.887 . . 1 . . . . A 90 VAL H . 30417 1 311 . 1 1 71 71 VAL HA H 1 4.000 . . 1 . . . . A 90 VAL HA . 30417 1 312 . 1 1 71 71 VAL HB H 1 2.108 . . 1 . . . . A 90 VAL HB . 30417 1 313 . 1 1 71 71 VAL CA C 13 64.258 . . 1 . . . . A 90 VAL CA . 30417 1 314 . 1 1 71 71 VAL CB C 13 33.398 . . 1 . . . . A 90 VAL CB . 30417 1 315 . 1 1 71 71 VAL N N 15 121.394 . . 1 . . . . A 90 VAL N . 30417 1 316 . 1 1 72 72 SER H H 1 8.359 . . 1 . . . . A 91 SER H . 30417 1 317 . 1 1 72 72 SER HA H 1 3.947 . . 1 . . . . A 91 SER HA . 30417 1 318 . 1 1 72 72 SER CA C 13 56.404 . . 1 . . . . A 91 SER CA . 30417 1 319 . 1 1 72 72 SER CB C 13 66.028 . . 1 . . . . A 91 SER CB . 30417 1 320 . 1 1 72 72 SER N N 15 115.210 . . 1 . . . . A 91 SER N . 30417 1 321 . 1 1 73 73 PHE H H 1 8.932 . . 1 . . . . A 92 PHE H . 30417 1 322 . 1 1 73 73 PHE HA H 1 4.334 . . 1 . . . . A 92 PHE HA . 30417 1 323 . 1 1 73 73 PHE CA C 13 61.285 . . 1 . . . . A 92 PHE CA . 30417 1 324 . 1 1 73 73 PHE CB C 13 38.726 . . 1 . . . . A 92 PHE CB . 30417 1 325 . 1 1 73 73 PHE N N 15 122.750 . . 1 . . . . A 92 PHE N . 30417 1 326 . 1 1 74 74 GLU H H 1 9.260 . . 1 . . . . A 93 GLU H . 30417 1 327 . 1 1 74 74 GLU HA H 1 3.851 . . 1 . . . . A 93 GLU HA . 30417 1 328 . 1 1 74 74 GLU CA C 13 60.591 . . 1 . . . . A 93 GLU CA . 30417 1 329 . 1 1 74 74 GLU CB C 13 28.849 . . 1 . . . . A 93 GLU CB . 30417 1 330 . 1 1 74 74 GLU N N 15 120.285 . . 1 . . . . A 93 GLU N . 30417 1 331 . 1 1 75 75 GLN H H 1 7.912 . . 1 . . . . A 94 GLN H . 30417 1 332 . 1 1 75 75 GLN HA H 1 4.211 . . 1 . . . . A 94 GLN HA . 30417 1 333 . 1 1 75 75 GLN CA C 13 58.520 . . 1 . . . . A 94 GLN CA . 30417 1 334 . 1 1 75 75 GLN CB C 13 29.784 . . 1 . . . . A 94 GLN CB . 30417 1 335 . 1 1 75 75 GLN N N 15 118.437 . . 1 . . . . A 94 GLN N . 30417 1 336 . 1 1 76 76 GLN H H 1 8.473 . . 1 . . . . A 95 GLN H . 30417 1 337 . 1 1 76 76 GLN HA H 1 3.526 . . 1 . . . . A 95 GLN HA . 30417 1 338 . 1 1 76 76 GLN CA C 13 60.203 . . 1 . . . . A 95 GLN CA . 30417 1 339 . 1 1 76 76 GLN CB C 13 27.604 . . 1 . . . . A 95 GLN CB . 30417 1 340 . 1 1 76 76 GLN N N 15 119.327 . . 1 . . . . A 95 GLN N . 30417 1 341 . 1 1 77 77 THR H H 1 8.515 . . 1 . . . . A 96 THR H . 30417 1 342 . 1 1 77 77 THR HA H 1 3.572 . . 1 . . . . A 96 THR HA . 30417 1 343 . 1 1 77 77 THR HB H 1 3.876 . . 1 . . . . A 96 THR HB . 30417 1 344 . 1 1 77 77 THR CA C 13 66.618 . . 1 . . . . A 96 THR CA . 30417 1 345 . 1 1 77 77 THR CB C 13 68.456 . . 1 . . . . A 96 THR CB . 30417 1 346 . 1 1 77 77 THR N N 15 112.716 . . 1 . . . . A 96 THR N . 30417 1 347 . 1 1 78 78 ALA H H 1 7.633 . . 1 . . . . A 97 ALA H . 30417 1 348 . 1 1 78 78 ALA HA H 1 4.056 . . 1 . . . . A 97 ALA HA . 30417 1 349 . 1 1 78 78 ALA CA C 13 55.173 . . 1 . . . . A 97 ALA CA . 30417 1 350 . 1 1 78 78 ALA CB C 13 18.165 . . 1 . . . . A 97 ALA CB . 30417 1 351 . 1 1 78 78 ALA N N 15 122.662 . . 1 . . . . A 97 ALA N . 30417 1 352 . 1 1 79 79 MET H H 1 7.333 . . 1 . . . . A 98 MET H . 30417 1 353 . 1 1 79 79 MET HA H 1 3.213 . . 1 . . . . A 98 MET HA . 30417 1 354 . 1 1 79 79 MET CA C 13 59.222 . . 1 . . . . A 98 MET CA . 30417 1 355 . 1 1 79 79 MET CB C 13 29.494 . . 1 . . . . A 98 MET CB . 30417 1 356 . 1 1 79 79 MET N N 15 118.690 . . 1 . . . . A 98 MET N . 30417 1 357 . 1 1 80 80 LEU H H 1 8.372 . . 1 . . . . A 99 LEU H . 30417 1 358 . 1 1 80 80 LEU HA H 1 3.573 . . 1 . . . . A 99 LEU HA . 30417 1 359 . 1 1 80 80 LEU CA C 13 58.394 . . 1 . . . . A 99 LEU CA . 30417 1 360 . 1 1 80 80 LEU CB C 13 42.860 . . 1 . . . . A 99 LEU CB . 30417 1 361 . 1 1 80 80 LEU N N 15 122.825 . . 1 . . . . A 99 LEU N . 30417 1 362 . 1 1 81 81 GLN H H 1 8.229 . . 1 . . . . A 100 GLN H . 30417 1 363 . 1 1 81 81 GLN HA H 1 3.856 . . 1 . . . . A 100 GLN HA . 30417 1 364 . 1 1 81 81 GLN CA C 13 59.104 . . 1 . . . . A 100 GLN CA . 30417 1 365 . 1 1 81 81 GLN CB C 13 28.426 . . 1 . . . . A 100 GLN CB . 30417 1 366 . 1 1 81 81 GLN N N 15 116.626 . . 1 . . . . A 100 GLN N . 30417 1 367 . 1 1 82 82 ASN H H 1 7.379 . . 1 . . . . A 101 ASN H . 30417 1 368 . 1 1 82 82 ASN HA H 1 4.200 . . 1 . . . . A 101 ASN HA . 30417 1 369 . 1 1 82 82 ASN CA C 13 57.391 . . 1 . . . . A 101 ASN CA . 30417 1 370 . 1 1 82 82 ASN CB C 13 39.496 . . 1 . . . . A 101 ASN CB . 30417 1 371 . 1 1 82 82 ASN N N 15 119.134 . . 1 . . . . A 101 ASN N . 30417 1 372 . 1 1 83 83 MET H H 1 8.356 . . 1 . . . . A 102 MET H . 30417 1 373 . 1 1 83 83 MET HA H 1 4.287 . . 1 . . . . A 102 MET HA . 30417 1 374 . 1 1 83 83 MET CA C 13 56.671 . . 1 . . . . A 102 MET CA . 30417 1 375 . 1 1 83 83 MET CB C 13 34.498 . . 1 . . . . A 102 MET CB . 30417 1 376 . 1 1 83 83 MET N N 15 117.525 . . 1 . . . . A 102 MET N . 30417 1 377 . 1 1 84 84 LEU H H 1 8.225 . . 1 . . . . A 103 LEU H . 30417 1 378 . 1 1 84 84 LEU HA H 1 3.761 . . 1 . . . . A 103 LEU HA . 30417 1 379 . 1 1 84 84 LEU CA C 13 57.726 . . 1 . . . . A 103 LEU CA . 30417 1 380 . 1 1 84 84 LEU CB C 13 41.928 . . 1 . . . . A 103 LEU CB . 30417 1 381 . 1 1 84 84 LEU N N 15 119.400 . . 1 . . . . A 103 LEU N . 30417 1 382 . 1 1 85 85 ALA H H 1 7.060 . . 1 . . . . A 104 ALA H . 30417 1 383 . 1 1 85 85 ALA HA H 1 4.327 . . 1 . . . . A 104 ALA HA . 30417 1 384 . 1 1 85 85 ALA CA C 13 53.121 . . 1 . . . . A 104 ALA CA . 30417 1 385 . 1 1 85 85 ALA CB C 13 18.545 . . 1 . . . . A 104 ALA CB . 30417 1 386 . 1 1 85 85 ALA N N 15 117.140 . . 1 . . . . A 104 ALA N . 30417 1 387 . 1 1 86 86 LYS H H 1 7.557 . . 1 . . . . A 105 LYS H . 30417 1 388 . 1 1 86 86 LYS HA H 1 4.201 . . 1 . . . . A 105 LYS HA . 30417 1 389 . 1 1 86 86 LYS CA C 13 57.170 . . 1 . . . . A 105 LYS CA . 30417 1 390 . 1 1 86 86 LYS CB C 13 35.100 . . 1 . . . . A 105 LYS CB . 30417 1 391 . 1 1 86 86 LYS N N 15 117.353 . . 1 . . . . A 105 LYS N . 30417 1 392 . 1 1 87 87 VAL H H 1 7.413 . . 1 . . . . A 106 VAL H . 30417 1 393 . 1 1 87 87 VAL HA H 1 4.286 . . 1 . . . . A 106 VAL HA . 30417 1 394 . 1 1 87 87 VAL HB H 1 2.062 . . 1 . . . . A 106 VAL HB . 30417 1 395 . 1 1 87 87 VAL CA C 13 61.396 . . 1 . . . . A 106 VAL CA . 30417 1 396 . 1 1 87 87 VAL CB C 13 33.600 . . 1 . . . . A 106 VAL CB . 30417 1 397 . 1 1 87 87 VAL N N 15 117.452 . . 1 . . . . A 106 VAL N . 30417 1 398 . 1 1 88 88 GLU H H 1 8.538 . . 1 . . . . A 107 GLU H . 30417 1 399 . 1 1 88 88 GLU CA C 13 54.572 . . 1 . . . . A 107 GLU CA . 30417 1 400 . 1 1 88 88 GLU CB C 13 30.249 . . 1 . . . . A 107 GLU CB . 30417 1 401 . 1 1 88 88 GLU N N 15 126.021 . . 1 . . . . A 107 GLU N . 30417 1 402 . 1 1 90 90 GLY H H 1 7.340 . . 1 . . . . A 109 GLY H . 30417 1 403 . 1 1 90 90 GLY CA C 13 45.500 . . 1 . . . . A 109 GLY CA . 30417 1 404 . 1 1 90 90 GLY N N 15 107.939 . . 1 . . . . A 109 GLY N . 30417 1 405 . 1 1 91 91 THR H H 1 7.198 . . 1 . . . . A 110 THR H . 30417 1 406 . 1 1 91 91 THR HA H 1 4.505 . . 1 . . . . A 110 THR HA . 30417 1 407 . 1 1 91 91 THR HB H 1 4.722 . . 1 . . . . A 110 THR HB . 30417 1 408 . 1 1 91 91 THR CA C 13 60.101 . . 1 . . . . A 110 THR CA . 30417 1 409 . 1 1 91 91 THR CB C 13 72.294 . . 1 . . . . A 110 THR CB . 30417 1 410 . 1 1 91 91 THR N N 15 108.066 . . 1 . . . . A 110 THR N . 30417 1 411 . 1 1 92 92 HIS H H 1 10.048 . . 1 . . . . A 111 HIS H . 30417 1 412 . 1 1 92 92 HIS HA H 1 4.604 . . 1 . . . . A 111 HIS HA . 30417 1 413 . 1 1 92 92 HIS CA C 13 57.785 . . 1 . . . . A 111 HIS CA . 30417 1 414 . 1 1 92 92 HIS CB C 13 28.146 . . 1 . . . . A 111 HIS CB . 30417 1 415 . 1 1 92 92 HIS N N 15 121.896 . . 1 . . . . A 111 HIS N . 30417 1 416 . 1 1 93 93 LEU H H 1 8.948 . . 1 . . . . A 112 LEU H . 30417 1 417 . 1 1 93 93 LEU HA H 1 4.005 . . 1 . . . . A 112 LEU HA . 30417 1 418 . 1 1 93 93 LEU CA C 13 58.274 . . 1 . . . . A 112 LEU CA . 30417 1 419 . 1 1 93 93 LEU CB C 13 41.115 . . 1 . . . . A 112 LEU CB . 30417 1 420 . 1 1 93 93 LEU N N 15 120.318 . . 1 . . . . A 112 LEU N . 30417 1 421 . 1 1 94 94 TYR H H 1 7.609 . . 1 . . . . A 113 TYR H . 30417 1 422 . 1 1 94 94 TYR HA H 1 3.642 . . 1 . . . . A 113 TYR HA . 30417 1 423 . 1 1 94 94 TYR CA C 13 62.547 . . 1 . . . . A 113 TYR CA . 30417 1 424 . 1 1 94 94 TYR CB C 13 38.795 . . 1 . . . . A 113 TYR CB . 30417 1 425 . 1 1 94 94 TYR N N 15 119.786 . . 1 . . . . A 113 TYR N . 30417 1 426 . 1 1 95 95 GLU H H 1 8.068 . . 1 . . . . A 114 GLU H . 30417 1 427 . 1 1 95 95 GLU HA H 1 4.044 . . 1 . . . . A 114 GLU HA . 30417 1 428 . 1 1 95 95 GLU CA C 13 59.087 . . 1 . . . . A 114 GLU CA . 30417 1 429 . 1 1 95 95 GLU CB C 13 29.735 . . 1 . . . . A 114 GLU CB . 30417 1 430 . 1 1 95 95 GLU N N 15 117.564 . . 1 . . . . A 114 GLU N . 30417 1 431 . 1 1 96 96 ALA H H 1 8.546 . . 1 . . . . A 115 ALA H . 30417 1 432 . 1 1 96 96 ALA HA H 1 4.226 . . 1 . . . . A 115 ALA HA . 30417 1 433 . 1 1 96 96 ALA HB1 H 1 1.432 . . 1 . . . . A 115 ALA HB1 . 30417 1 434 . 1 1 96 96 ALA HB2 H 1 1.432 . . 1 . . . . A 115 ALA HB2 . 30417 1 435 . 1 1 96 96 ALA HB3 H 1 1.432 . . 1 . . . . A 115 ALA HB3 . 30417 1 436 . 1 1 96 96 ALA CA C 13 55.649 . . 1 . . . . A 115 ALA CA . 30417 1 437 . 1 1 96 96 ALA CB C 13 20.451 . . 1 . . . . A 115 ALA CB . 30417 1 438 . 1 1 96 96 ALA N N 15 123.266 . . 1 . . . . A 115 ALA N . 30417 1 439 . 1 1 97 97 LEU H H 1 8.437 . . 1 . . . . A 116 LEU H . 30417 1 440 . 1 1 97 97 LEU CA C 13 58.250 . . 1 . . . . A 116 LEU CA . 30417 1 441 . 1 1 97 97 LEU CB C 13 42.927 . . 1 . . . . A 116 LEU CB . 30417 1 442 . 1 1 97 97 LEU N N 15 118.988 . . 1 . . . . A 116 LEU N . 30417 1 443 . 1 1 98 98 ASN H H 1 8.252 . . 1 . . . . A 117 ASN H . 30417 1 444 . 1 1 98 98 ASN HA H 1 4.213 . . 1 . . . . A 117 ASN HA . 30417 1 445 . 1 1 98 98 ASN CA C 13 56.826 . . 1 . . . . A 117 ASN CA . 30417 1 446 . 1 1 98 98 ASN CB C 13 38.862 . . 1 . . . . A 117 ASN CB . 30417 1 447 . 1 1 98 98 ASN N N 15 116.638 . . 1 . . . . A 117 ASN N . 30417 1 448 . 1 1 99 99 GLY H H 1 8.078 . . 1 . . . . A 118 GLY H . 30417 1 449 . 1 1 99 99 GLY CA C 13 47.244 . . 1 . . . . A 118 GLY CA . 30417 1 450 . 1 1 99 99 GLY N N 15 106.312 . . 1 . . . . A 118 GLY N . 30417 1 451 . 1 1 100 100 VAL H H 1 8.262 . . 1 . . . . A 119 VAL H . 30417 1 452 . 1 1 100 100 VAL HA H 1 4.090 . . 1 . . . . A 119 VAL HA . 30417 1 453 . 1 1 100 100 VAL HB H 1 1.995 . . 1 . . . . A 119 VAL HB . 30417 1 454 . 1 1 100 100 VAL CA C 13 66.142 . . 1 . . . . A 119 VAL CA . 30417 1 455 . 1 1 100 100 VAL CB C 13 31.191 . . 1 . . . . A 119 VAL CB . 30417 1 456 . 1 1 100 100 VAL N N 15 124.623 . . 1 . . . . A 119 VAL N . 30417 1 457 . 1 1 101 101 LEU H H 1 8.273 . . 1 . . . . A 120 LEU H . 30417 1 458 . 1 1 101 101 LEU HA H 1 3.952 . . 1 . . . . A 120 LEU HA . 30417 1 459 . 1 1 101 101 LEU CA C 13 58.691 . . 1 . . . . A 120 LEU CA . 30417 1 460 . 1 1 101 101 LEU CB C 13 41.448 . . 1 . . . . A 120 LEU CB . 30417 1 461 . 1 1 101 101 LEU N N 15 123.002 . . 1 . . . . A 120 LEU N . 30417 1 462 . 1 1 102 102 VAL H H 1 8.569 . . 1 . . . . A 121 VAL H . 30417 1 463 . 1 1 102 102 VAL HA H 1 3.679 . . 1 . . . . A 121 VAL HA . 30417 1 464 . 1 1 102 102 VAL HB H 1 2.074 . . 1 . . . . A 121 VAL HB . 30417 1 465 . 1 1 102 102 VAL CA C 13 66.340 . . 1 . . . . A 121 VAL CA . 30417 1 466 . 1 1 102 102 VAL CB C 13 31.874 . . 1 . . . . A 121 VAL CB . 30417 1 467 . 1 1 102 102 VAL N N 15 118.682 . . 1 . . . . A 121 VAL N . 30417 1 468 . 1 1 103 103 GLY H H 1 7.944 . . 1 . . . . A 122 GLY H . 30417 1 469 . 1 1 103 103 GLY CA C 13 47.055 . . 1 . . . . A 122 GLY CA . 30417 1 470 . 1 1 103 103 GLY N N 15 107.028 . . 1 . . . . A 122 GLY N . 30417 1 471 . 1 1 104 104 SER H H 1 8.351 . . 1 . . . . A 123 SER H . 30417 1 472 . 1 1 104 104 SER CA C 13 61.884 . . 1 . . . . A 123 SER CA . 30417 1 473 . 1 1 104 104 SER CB C 13 63.339 . . 1 . . . . A 123 SER CB . 30417 1 474 . 1 1 104 104 SER N N 15 119.096 . . 1 . . . . A 123 SER N . 30417 1 475 . 1 1 105 105 MET H H 1 8.347 . . 1 . . . . A 124 MET H . 30417 1 476 . 1 1 105 105 MET HA H 1 4.266 . . 1 . . . . A 124 MET HA . 30417 1 477 . 1 1 105 105 MET CA C 13 58.081 . . 1 . . . . A 124 MET CA . 30417 1 478 . 1 1 105 105 MET CB C 13 32.521 . . 1 . . . . A 124 MET CB . 30417 1 479 . 1 1 105 105 MET N N 15 120.965 . . 1 . . . . A 124 MET N . 30417 1 480 . 1 1 106 106 ASN H H 1 8.344 . . 1 . . . . A 125 ASN H . 30417 1 481 . 1 1 106 106 ASN HA H 1 4.517 . . 1 . . . . A 125 ASN HA . 30417 1 482 . 1 1 106 106 ASN CA C 13 54.927 . . 1 . . . . A 125 ASN CA . 30417 1 483 . 1 1 106 106 ASN CB C 13 38.425 . . 1 . . . . A 125 ASN CB . 30417 1 484 . 1 1 106 106 ASN N N 15 118.882 . . 1 . . . . A 125 ASN N . 30417 1 485 . 1 1 107 107 ALA H H 1 7.948 . . 1 . . . . A 126 ALA H . 30417 1 486 . 1 1 107 107 ALA HA H 1 4.062 . . 1 . . . . A 126 ALA HA . 30417 1 487 . 1 1 107 107 ALA CA C 13 54.196 . . 1 . . . . A 126 ALA CA . 30417 1 488 . 1 1 107 107 ALA CB C 13 18.189 . . 1 . . . . A 126 ALA CB . 30417 1 489 . 1 1 107 107 ALA N N 15 122.994 . . 1 . . . . A 126 ALA N . 30417 1 490 . 1 1 108 108 GLN H H 1 7.870 . . 1 . . . . A 127 GLN H . 30417 1 491 . 1 1 108 108 GLN HA H 1 3.991 . . 1 . . . . A 127 GLN HA . 30417 1 492 . 1 1 108 108 GLN CA C 13 57.295 . . 1 . . . . A 127 GLN CA . 30417 1 493 . 1 1 108 108 GLN CB C 13 28.722 . . 1 . . . . A 127 GLN CB . 30417 1 494 . 1 1 108 108 GLN N N 15 117.925 . . 1 . . . . A 127 GLN N . 30417 1 495 . 1 1 109 109 SER H H 1 8.042 . . 1 . . . . A 128 SER H . 30417 1 496 . 1 1 109 109 SER HA H 1 3.910 . . 1 . . . . A 128 SER HA . 30417 1 497 . 1 1 109 109 SER CA C 13 59.906 . . 1 . . . . A 128 SER CA . 30417 1 498 . 1 1 109 109 SER CB C 13 63.310 . . 1 . . . . A 128 SER CB . 30417 1 499 . 1 1 109 109 SER N N 15 115.241 . . 1 . . . . A 128 SER N . 30417 1 500 . 1 1 110 110 GLN H H 1 8.029 . . 1 . . . . A 129 GLN H . 30417 1 501 . 1 1 110 110 GLN HA H 1 4.235 . . 1 . . . . A 129 GLN HA . 30417 1 502 . 1 1 110 110 GLN CA C 13 56.719 . . 1 . . . . A 129 GLN CA . 30417 1 503 . 1 1 110 110 GLN CB C 13 28.913 . . 1 . . . . A 129 GLN CB . 30417 1 504 . 1 1 110 110 GLN N N 15 120.639 . . 1 . . . . A 129 GLN N . 30417 1 505 . 1 1 111 111 MET H H 1 8.050 . . 1 . . . . A 130 MET H . 30417 1 506 . 1 1 111 111 MET HA H 1 4.421 . . 1 . . . . A 130 MET HA . 30417 1 507 . 1 1 111 111 MET CA C 13 56.515 . . 1 . . . . A 130 MET CA . 30417 1 508 . 1 1 111 111 MET CB C 13 32.606 . . 1 . . . . A 130 MET CB . 30417 1 509 . 1 1 111 111 MET N N 15 119.799 . . 1 . . . . A 130 MET N . 30417 1 510 . 1 1 112 112 THR H H 1 8.050 . . 1 . . . . A 131 THR H . 30417 1 511 . 1 1 112 112 THR CA C 13 62.812 . . 1 . . . . A 131 THR CA . 30417 1 512 . 1 1 112 112 THR CB C 13 69.716 . . 1 . . . . A 131 THR CB . 30417 1 513 . 1 1 112 112 THR N N 15 114.049 . . 1 . . . . A 131 THR N . 30417 1 514 . 1 1 113 113 SER H H 1 8.227 . . 1 . . . . A 132 SER H . 30417 1 515 . 1 1 113 113 SER HA H 1 3.875 . . 1 . . . . A 132 SER HA . 30417 1 516 . 1 1 113 113 SER CA C 13 59.759 . . 1 . . . . A 132 SER CA . 30417 1 517 . 1 1 113 113 SER CB C 13 63.289 . . 1 . . . . A 132 SER CB . 30417 1 518 . 1 1 113 113 SER N N 15 117.561 . . 1 . . . . A 132 SER N . 30417 1 519 . 1 1 114 114 TRP H H 1 7.992 . . 1 . . . . A 133 TRP H . 30417 1 520 . 1 1 114 114 TRP HA H 1 4.585 . . 1 . . . . A 133 TRP HA . 30417 1 521 . 1 1 114 114 TRP CA C 13 58.298 . . 1 . . . . A 133 TRP CA . 30417 1 522 . 1 1 114 114 TRP CB C 13 28.999 . . 1 . . . . A 133 TRP CB . 30417 1 523 . 1 1 114 114 TRP N N 15 122.506 . . 1 . . . . A 133 TRP N . 30417 1 524 . 1 1 115 115 MET H H 1 7.837 . . 1 . . . . A 134 MET H . 30417 1 525 . 1 1 115 115 MET HA H 1 4.104 . . 1 . . . . A 134 MET HA . 30417 1 526 . 1 1 115 115 MET CA C 13 56.502 . . 1 . . . . A 134 MET CA . 30417 1 527 . 1 1 115 115 MET CB C 13 32.550 . . 1 . . . . A 134 MET CB . 30417 1 528 . 1 1 115 115 MET N N 15 120.446 . . 1 . . . . A 134 MET N . 30417 1 529 . 1 1 116 116 GLN H H 1 7.968 . . 1 . . . . A 135 GLN H . 30417 1 530 . 1 1 116 116 GLN HA H 1 4.110 . . 1 . . . . A 135 GLN HA . 30417 1 531 . 1 1 116 116 GLN CA C 13 56.759 . . 1 . . . . A 135 GLN CA . 30417 1 532 . 1 1 116 116 GLN CB C 13 29.173 . . 1 . . . . A 135 GLN CB . 30417 1 533 . 1 1 116 116 GLN N N 15 119.567 . . 1 . . . . A 135 GLN N . 30417 1 534 . 1 1 117 117 GLU H H 1 8.162 . . 1 . . . . A 136 GLU H . 30417 1 535 . 1 1 117 117 GLU HA H 1 4.164 . . 1 . . . . A 136 GLU HA . 30417 1 536 . 1 1 117 117 GLU CA C 13 57.253 . . 1 . . . . A 136 GLU CA . 30417 1 537 . 1 1 117 117 GLU CB C 13 30.004 . . 1 . . . . A 136 GLU CB . 30417 1 538 . 1 1 117 117 GLU N N 15 120.914 . . 1 . . . . A 136 GLU N . 30417 1 539 . 1 1 118 118 ILE H H 1 7.981 . . 1 . . . . A 137 ILE H . 30417 1 540 . 1 1 118 118 ILE HA H 1 3.993 . . 1 . . . . A 137 ILE HA . 30417 1 541 . 1 1 118 118 ILE HB H 1 1.805 . . 1 . . . . A 137 ILE HB . 30417 1 542 . 1 1 118 118 ILE CA C 13 61.873 . . 1 . . . . A 137 ILE CA . 30417 1 543 . 1 1 118 118 ILE CB C 13 38.225 . . 1 . . . . A 137 ILE CB . 30417 1 544 . 1 1 118 118 ILE N N 15 121.629 . . 1 . . . . A 137 ILE N . 30417 1 545 . 1 1 119 119 ILE H H 1 8.103 . . 1 . . . . A 138 ILE H . 30417 1 546 . 1 1 119 119 ILE HA H 1 4.023 . . 1 . . . . A 138 ILE HA . 30417 1 547 . 1 1 119 119 ILE HB H 1 1.829 . . 1 . . . . A 138 ILE HB . 30417 1 548 . 1 1 119 119 ILE CA C 13 61.754 . . 1 . . . . A 138 ILE CA . 30417 1 549 . 1 1 119 119 ILE CB C 13 38.191 . . 1 . . . . A 138 ILE CB . 30417 1 550 . 1 1 119 119 ILE N N 15 124.686 . . 1 . . . . A 138 ILE N . 30417 1 551 . 1 1 120 120 LEU H H 1 8.330 . . 1 . . . . A 139 LEU H . 30417 1 552 . 1 1 120 120 LEU HA H 1 4.347 . . 1 . . . . A 139 LEU HA . 30417 1 553 . 1 1 120 120 LEU CA C 13 55.450 . . 1 . . . . A 139 LEU CA . 30417 1 554 . 1 1 120 120 LEU CB C 13 42.094 . . 1 . . . . A 139 LEU CB . 30417 1 555 . 1 1 120 120 LEU N N 15 125.399 . . 1 . . . . A 139 LEU N . 30417 1 556 . 1 1 121 121 SER H H 1 8.233 . . 1 . . . . A 140 SER H . 30417 1 557 . 1 1 121 121 SER HA H 1 3.881 . . 1 . . . . A 140 SER HA . 30417 1 558 . 1 1 121 121 SER CA C 13 58.675 . . 1 . . . . A 140 SER CA . 30417 1 559 . 1 1 121 121 SER CB C 13 63.904 . . 1 . . . . A 140 SER CB . 30417 1 560 . 1 1 121 121 SER N N 15 115.945 . . 1 . . . . A 140 SER N . 30417 1 561 . 1 1 122 122 GLY H H 1 8.406 . . 1 . . . . A 141 GLY H . 30417 1 562 . 1 1 122 122 GLY CA C 13 45.548 . . 1 . . . . A 141 GLY CA . 30417 1 563 . 1 1 122 122 GLY N N 15 111.021 . . 1 . . . . A 141 GLY N . 30417 1 564 . 1 1 123 123 GLY H H 1 8.259 . . 1 . . . . A 142 GLY H . 30417 1 565 . 1 1 123 123 GLY CA C 13 45.267 . . 1 . . . . A 142 GLY CA . 30417 1 566 . 1 1 123 123 GLY N N 15 108.606 . . 1 . . . . A 142 GLY N . 30417 1 567 . 1 1 124 124 GLU H H 1 8.430 . . 1 . . . . A 143 GLU H . 30417 1 568 . 1 1 124 124 GLU HA H 1 4.229 . . 1 . . . . A 143 GLU HA . 30417 1 569 . 1 1 124 124 GLU CA C 13 56.739 . . 1 . . . . A 143 GLU CA . 30417 1 570 . 1 1 124 124 GLU CB C 13 30.249 . . 1 . . . . A 143 GLU CB . 30417 1 571 . 1 1 124 124 GLU N N 15 120.319 . . 1 . . . . A 143 GLU N . 30417 1 572 . 1 1 125 125 ASN H H 1 8.521 . . 1 . . . . A 144 ASN H . 30417 1 573 . 1 1 125 125 ASN HA H 1 4.669 . . 1 . . . . A 144 ASN HA . 30417 1 574 . 1 1 125 125 ASN CA C 13 53.173 . . 1 . . . . A 144 ASN CA . 30417 1 575 . 1 1 125 125 ASN CB C 13 38.686 . . 1 . . . . A 144 ASN CB . 30417 1 576 . 1 1 125 125 ASN N N 15 119.777 . . 1 . . . . A 144 ASN N . 30417 1 577 . 1 1 126 126 LYS H H 1 8.331 . . 1 . . . . A 145 LYS H . 30417 1 578 . 1 1 126 126 LYS HA H 1 4.263 . . 1 . . . . A 145 LYS HA . 30417 1 579 . 1 1 126 126 LYS CA C 13 56.424 . . 1 . . . . A 145 LYS CA . 30417 1 580 . 1 1 126 126 LYS CB C 13 32.903 . . 1 . . . . A 145 LYS CB . 30417 1 581 . 1 1 126 126 LYS N N 15 122.316 . . 1 . . . . A 145 LYS N . 30417 1 582 . 1 1 127 127 GLU H H 1 8.392 . . 1 . . . . A 146 GLU H . 30417 1 583 . 1 1 127 127 GLU HA H 1 4.205 . . 1 . . . . A 146 GLU HA . 30417 1 584 . 1 1 127 127 GLU CA C 13 56.504 . . 1 . . . . A 146 GLU CA . 30417 1 585 . 1 1 127 127 GLU CB C 13 30.094 . . 1 . . . . A 146 GLU CB . 30417 1 586 . 1 1 127 127 GLU N N 15 121.400 . . 1 . . . . A 146 GLU N . 30417 1 587 . 1 1 128 128 ALA H H 1 8.160 . . 1 . . . . A 147 ALA H . 30417 1 588 . 1 1 128 128 ALA HA H 1 4.208 . . 1 . . . . A 147 ALA HA . 30417 1 589 . 1 1 128 128 ALA CA C 13 52.303 . . 1 . . . . A 147 ALA CA . 30417 1 590 . 1 1 128 128 ALA CB C 13 19.119 . . 1 . . . . A 147 ALA CB . 30417 1 591 . 1 1 128 128 ALA N N 15 124.846 . . 1 . . . . A 147 ALA N . 30417 1 592 . 1 1 129 129 ILE H H 1 7.913 . . 1 . . . . A 148 ILE H . 30417 1 593 . 1 1 129 129 ILE HA H 1 3.991 . . 1 . . . . A 148 ILE HA . 30417 1 594 . 1 1 129 129 ILE HB H 1 1.594 . . 1 . . . . A 148 ILE HB . 30417 1 595 . 1 1 129 129 ILE CA C 13 60.988 . . 1 . . . . A 148 ILE CA . 30417 1 596 . 1 1 129 129 ILE CB C 13 38.975 . . 1 . . . . A 148 ILE CB . 30417 1 597 . 1 1 129 129 ILE N N 15 119.539 . . 1 . . . . A 148 ILE N . 30417 1 598 . 1 1 130 130 ASP H H 1 8.031 . . 1 . . . . A 149 ASP H . 30417 1 599 . 1 1 130 130 ASP HA H 1 4.604 . . 1 . . . . A 149 ASP HA . 30417 1 600 . 1 1 130 130 ASP CA C 13 53.933 . . 1 . . . . A 149 ASP CA . 30417 1 601 . 1 1 130 130 ASP CB C 13 41.172 . . 1 . . . . A 149 ASP CB . 30417 1 602 . 1 1 130 130 ASP N N 15 124.064 . . 1 . . . . A 149 ASP N . 30417 1 603 . 1 1 131 131 TRP H H 1 7.490 . . 1 . . . . A 150 TRP H . 30417 1 604 . 1 1 131 131 TRP CA C 13 58.485 . . 1 . . . . A 150 TRP CA . 30417 1 605 . 1 1 131 131 TRP CB C 13 30.078 . . 1 . . . . A 150 TRP CB . 30417 1 606 . 1 1 131 131 TRP N N 15 126.357 . . 1 . . . . A 150 TRP N . 30417 1 stop_ save_