data_51849 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51849 _Entry.Title ; apo-cGlbN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-20 _Entry.Accession_date 2023-02-20 _Entry.Last_release_date 2023-02-20 _Entry.Original_release_date 2023-02-20 _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 chemical shift of a consensus hemoglobin in the apoprotein state' _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 Jaime 'Martinez Grundman' . E. . 0000-0002-8294-1992 51849 2 Juliette Lecomte . T.J. . 0000-0003-1116-0053 51849 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51849 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 51849 '15N chemical shifts' 89 51849 '1H chemical shifts' 175 51849 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 . . 2023-08-10 2023-02-20 update BMRB 'update entry citation' 51849 1 . . 2023-06-29 2023-02-20 original author 'original release' 51849 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51847 'cyanomet cGlbN' 51849 BMRB 51848 'cGlbN Fe3-bisHis' 51849 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51849 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37353934 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Architectural digest: Thermodynamic stability and domain structure of a consensus monomeric globin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 122 _Citation.Journal_issue 15 _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 3117 _Citation.Page_last 3132 _Citation.Year 2023 _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 Jaime 'Martinez Grundman' . E. . . 51849 1 2 Eric Johnson . A. . . 51849 1 3 Juliette Lecomte . T.J. . . 51849 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'consensus sequence; heme binding' 51849 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51849 _Assembly.ID 1 _Assembly.Name apoprotein _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 yes _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 cGlbN 1 $entity_1 . . yes native yes no . . . 51849 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'Extremely slow exchange' 51849 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51849 _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 ; SSLYERIGGEEAVEAVVDDF YKRVLADDRLAPFFEGTDME RQRAHQKAFLTAALGGPVEY TGRDMREAHAGLGITDEHFD AVAEHLVATLRELGVPEELI DEVLAIVASLRDDVLNRNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 2,S _Entity.Polymer_author_seq_details 'Initial Met (Met1) is cleaved' _Entity.Ambiguous_conformational_states yes _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13210.76 _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 2 SER . 51849 1 2 3 SER . 51849 1 3 4 LEU . 51849 1 4 5 TYR . 51849 1 5 6 GLU . 51849 1 6 7 ARG . 51849 1 7 8 ILE . 51849 1 8 9 GLY . 51849 1 9 10 GLY . 51849 1 10 11 GLU . 51849 1 11 12 GLU . 51849 1 12 13 ALA . 51849 1 13 14 VAL . 51849 1 14 15 GLU . 51849 1 15 16 ALA . 51849 1 16 17 VAL . 51849 1 17 18 VAL . 51849 1 18 19 ASP . 51849 1 19 20 ASP . 51849 1 20 21 PHE . 51849 1 21 22 TYR . 51849 1 22 23 LYS . 51849 1 23 24 ARG . 51849 1 24 25 VAL . 51849 1 25 26 LEU . 51849 1 26 27 ALA . 51849 1 27 28 ASP . 51849 1 28 29 ASP . 51849 1 29 30 ARG . 51849 1 30 31 LEU . 51849 1 31 32 ALA . 51849 1 32 33 PRO . 51849 1 33 34 PHE . 51849 1 34 35 PHE . 51849 1 35 36 GLU . 51849 1 36 37 GLY . 51849 1 37 38 THR . 51849 1 38 39 ASP . 51849 1 39 40 MET . 51849 1 40 41 GLU . 51849 1 41 42 ARG . 51849 1 42 43 GLN . 51849 1 43 44 ARG . 51849 1 44 45 ALA . 51849 1 45 46 HIS . 51849 1 46 47 GLN . 51849 1 47 48 LYS . 51849 1 48 49 ALA . 51849 1 49 50 PHE . 51849 1 50 51 LEU . 51849 1 51 52 THR . 51849 1 52 53 ALA . 51849 1 53 54 ALA . 51849 1 54 55 LEU . 51849 1 55 56 GLY . 51849 1 56 57 GLY . 51849 1 57 58 PRO . 51849 1 58 59 VAL . 51849 1 59 60 GLU . 51849 1 60 61 TYR . 51849 1 61 62 THR . 51849 1 62 63 GLY . 51849 1 63 64 ARG . 51849 1 64 65 ASP . 51849 1 65 66 MET . 51849 1 66 67 ARG . 51849 1 67 68 GLU . 51849 1 68 69 ALA . 51849 1 69 70 HIS . 51849 1 70 71 ALA . 51849 1 71 72 GLY . 51849 1 72 73 LEU . 51849 1 73 74 GLY . 51849 1 74 75 ILE . 51849 1 75 76 THR . 51849 1 76 77 ASP . 51849 1 77 78 GLU . 51849 1 78 79 HIS . 51849 1 79 80 PHE . 51849 1 80 81 ASP . 51849 1 81 82 ALA . 51849 1 82 83 VAL . 51849 1 83 84 ALA . 51849 1 84 85 GLU . 51849 1 85 86 HIS . 51849 1 86 87 LEU . 51849 1 87 88 VAL . 51849 1 88 89 ALA . 51849 1 89 90 THR . 51849 1 90 91 LEU . 51849 1 91 92 ARG . 51849 1 92 93 GLU . 51849 1 93 94 LEU . 51849 1 94 95 GLY . 51849 1 95 96 VAL . 51849 1 96 97 PRO . 51849 1 97 98 GLU . 51849 1 98 99 GLU . 51849 1 99 100 LEU . 51849 1 100 101 ILE . 51849 1 101 102 ASP . 51849 1 102 103 GLU . 51849 1 103 104 VAL . 51849 1 104 105 LEU . 51849 1 105 106 ALA . 51849 1 106 107 ILE . 51849 1 107 108 VAL . 51849 1 108 109 ALA . 51849 1 109 110 SER . 51849 1 110 111 LEU . 51849 1 111 112 ARG . 51849 1 112 113 ASP . 51849 1 113 114 ASP . 51849 1 114 115 VAL . 51849 1 115 116 LEU . 51849 1 116 117 ASN . 51849 1 117 118 ARG . 51849 1 118 119 ASN . 51849 1 119 120 LYS . 51849 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 . SER 1 1 51849 1 . SER 2 2 51849 1 . LEU 3 3 51849 1 . TYR 4 4 51849 1 . GLU 5 5 51849 1 . ARG 6 6 51849 1 . ILE 7 7 51849 1 . GLY 8 8 51849 1 . GLY 9 9 51849 1 . GLU 10 10 51849 1 . GLU 11 11 51849 1 . ALA 12 12 51849 1 . VAL 13 13 51849 1 . GLU 14 14 51849 1 . ALA 15 15 51849 1 . VAL 16 16 51849 1 . VAL 17 17 51849 1 . ASP 18 18 51849 1 . ASP 19 19 51849 1 . PHE 20 20 51849 1 . TYR 21 21 51849 1 . LYS 22 22 51849 1 . ARG 23 23 51849 1 . VAL 24 24 51849 1 . LEU 25 25 51849 1 . ALA 26 26 51849 1 . ASP 27 27 51849 1 . ASP 28 28 51849 1 . ARG 29 29 51849 1 . LEU 30 30 51849 1 . ALA 31 31 51849 1 . PRO 32 32 51849 1 . PHE 33 33 51849 1 . PHE 34 34 51849 1 . GLU 35 35 51849 1 . GLY 36 36 51849 1 . THR 37 37 51849 1 . ASP 38 38 51849 1 . MET 39 39 51849 1 . GLU 40 40 51849 1 . ARG 41 41 51849 1 . GLN 42 42 51849 1 . ARG 43 43 51849 1 . ALA 44 44 51849 1 . HIS 45 45 51849 1 . GLN 46 46 51849 1 . LYS 47 47 51849 1 . ALA 48 48 51849 1 . PHE 49 49 51849 1 . LEU 50 50 51849 1 . THR 51 51 51849 1 . ALA 52 52 51849 1 . ALA 53 53 51849 1 . LEU 54 54 51849 1 . GLY 55 55 51849 1 . GLY 56 56 51849 1 . PRO 57 57 51849 1 . VAL 58 58 51849 1 . GLU 59 59 51849 1 . TYR 60 60 51849 1 . THR 61 61 51849 1 . GLY 62 62 51849 1 . ARG 63 63 51849 1 . ASP 64 64 51849 1 . MET 65 65 51849 1 . ARG 66 66 51849 1 . GLU 67 67 51849 1 . ALA 68 68 51849 1 . HIS 69 69 51849 1 . ALA 70 70 51849 1 . GLY 71 71 51849 1 . LEU 72 72 51849 1 . GLY 73 73 51849 1 . ILE 74 74 51849 1 . THR 75 75 51849 1 . ASP 76 76 51849 1 . GLU 77 77 51849 1 . HIS 78 78 51849 1 . PHE 79 79 51849 1 . ASP 80 80 51849 1 . ALA 81 81 51849 1 . VAL 82 82 51849 1 . ALA 83 83 51849 1 . GLU 84 84 51849 1 . HIS 85 85 51849 1 . LEU 86 86 51849 1 . VAL 87 87 51849 1 . ALA 88 88 51849 1 . THR 89 89 51849 1 . LEU 90 90 51849 1 . ARG 91 91 51849 1 . GLU 92 92 51849 1 . LEU 93 93 51849 1 . GLY 94 94 51849 1 . VAL 95 95 51849 1 . PRO 96 96 51849 1 . GLU 97 97 51849 1 . GLU 98 98 51849 1 . LEU 99 99 51849 1 . ILE 100 100 51849 1 . ASP 101 101 51849 1 . GLU 102 102 51849 1 . VAL 103 103 51849 1 . LEU 104 104 51849 1 . ALA 105 105 51849 1 . ILE 106 106 51849 1 . VAL 107 107 51849 1 . ALA 108 108 51849 1 . SER 109 109 51849 1 . LEU 110 110 51849 1 . ARG 111 111 51849 1 . ASP 112 112 51849 1 . ASP 113 113 51849 1 . VAL 114 114 51849 1 . LEU 115 115 51849 1 . ASN 116 116 51849 1 . ARG 117 117 51849 1 . ASN 118 118 51849 1 . LYS 119 119 51849 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 51849 _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 . 9823 organism . 'Sus scrofa' pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . 51849 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 51849 _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 . . pJExpress414 . . . 51849 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51849 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.1' _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 cGlbN '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51849 1 2 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 51849 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51849 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51849 _Sample.ID 2 _Sample.Name sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.0' _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 cGlbN 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 51849 2 2 'potassium phosphate' 'natural abundance' . . . . . . 15 . . mM . . . . 51849 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51849 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51849 _Sample.ID 3 _Sample.Name sample_3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH* 7.1' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 cGlbN 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 51849 3 2 'potassium phosphate' 'natural abundance' . . . . . . 8 . . mM . . . . 51849 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51849 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 51849 _Sample.ID 4 _Sample.Name sample_4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.1' _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 cGlbN '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51849 4 2 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 51849 4 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51849 4 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 51849 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.016 . M 51849 1 pH 7.1 . pH 51849 1 pressure 1 . atm 51849 1 temperature 298 . K 51849 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51849 _Sample_condition_list.ID 2 _Sample_condition_list.Name conditions_2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.038 . M 51849 2 pH 7.0 . pH 51849 2 pressure 1 . atm 51849 2 temperature 298 . K 51849 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 51849 _Sample_condition_list.ID 3 _Sample_condition_list.Name conditions_3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.022 . M 51849 3 pH* 7.1 . pH 51849 3 pressure 1 . atm 51849 3 temperature 298 . K 51849 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51849 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51849 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51849 _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 . 51849 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51849 _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 'chemical shift assignment' . 51849 3 'data analysis' . 51849 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51849 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51849 4 'data analysis' . 51849 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51849 _Software.ID 5 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51849 5 'data analysis' . 51849 5 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 51849 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bru_8 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51849 _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 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 4 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 5 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 6 '3D (H)CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 7 '2D 1H-15N TROSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 8 '3D 1H-15N NOESY' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 9 '3D 1H-15N TOCSY' no no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 10 '2D 1H-1H NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 11 '2D 1H-1H NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 1 12 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51849 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 51849 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51849 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 51849 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51849 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 51849 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list_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 0.03 _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 '3D HNCO' . . . 51849 1 2 '3D CBCA(CO)NH' . . . 51849 1 3 '3D HNCACB' . . . 51849 1 4 '3D HBHA(CO)NH' . . . 51849 1 5 '3D HCCH-TOCSY' . . . 51849 1 6 '3D (H)CCH-TOCSY' . . . 51849 1 7 '2D 1H-15N TROSY' . . . 51849 1 8 '3D 1H-15N NOESY' . . . 51849 1 9 '3D 1H-15N TOCSY' . . . 51849 1 10 '2D 1H-1H NOESY' . . . 51849 1 11 '2D 1H-1H NOESY' . . . 51849 1 12 '3D HN(CA)CO' . . . 51849 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 . . 51849 1 4 $software_4 . . 51849 1 5 $software_5 . . 51849 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 2 2 SER HA H 1 4.48 0.03 . 1 . . . . . 3 SER HA . 51849 1 2 . 1 . 1 2 2 SER C C 13 174.8 0.3 . 1 . . . . . 3 SER C . 51849 1 3 . 1 . 1 2 2 SER CA C 13 58.0 0.3 . 1 . . . . . 3 SER CA . 51849 1 4 . 1 . 1 2 2 SER CB C 13 65.3 0.3 . 1 . . . . . 3 SER CB . 51849 1 5 . 1 . 1 3 3 LEU H H 1 9.19 0.03 . 1 . . . . . 4 LEU H . 51849 1 6 . 1 . 1 3 3 LEU HA H 1 3.93 0.03 . 1 . . . . . 4 LEU HA . 51849 1 7 . 1 . 1 3 3 LEU C C 13 177.5 0.3 . 1 . . . . . 4 LEU C . 51849 1 8 . 1 . 1 3 3 LEU CA C 13 58.6 0.3 . 1 . . . . . 4 LEU CA . 51849 1 9 . 1 . 1 3 3 LEU CB C 13 41.6 0.3 . 1 . . . . . 4 LEU CB . 51849 1 10 . 1 . 1 3 3 LEU N N 15 124.7 0.3 . 1 . . . . . 4 LEU N . 51849 1 11 . 1 . 1 4 4 TYR H H 1 8.15 0.03 . 1 . . . . . 5 TYR H . 51849 1 12 . 1 . 1 4 4 TYR HA H 1 3.84 0.03 . 1 . . . . . 5 TYR HA . 51849 1 13 . 1 . 1 4 4 TYR C C 13 176.4 0.3 . 1 . . . . . 5 TYR C . 51849 1 14 . 1 . 1 4 4 TYR CA C 13 61.0 0.3 . 1 . . . . . 5 TYR CA . 51849 1 15 . 1 . 1 4 4 TYR CB C 13 38.7 0.3 . 1 . . . . . 5 TYR CB . 51849 1 16 . 1 . 1 4 4 TYR N N 15 117.4 0.3 . 1 . . . . . 5 TYR N . 51849 1 17 . 1 . 1 5 5 GLU H H 1 7.97 0.03 . 1 . . . . . 6 GLU H . 51849 1 18 . 1 . 1 5 5 GLU HA H 1 3.67 0.03 . 1 . . . . . 6 GLU HA . 51849 1 19 . 1 . 1 5 5 GLU C C 13 180.6 0.3 . 1 . . . . . 6 GLU C . 51849 1 20 . 1 . 1 5 5 GLU CA C 13 59.4 0.3 . 1 . . . . . 6 GLU CA . 51849 1 21 . 1 . 1 5 5 GLU CB C 13 29.9 0.3 . 1 . . . . . 6 GLU CB . 51849 1 22 . 1 . 1 5 5 GLU N N 15 118.2 0.3 . 1 . . . . . 6 GLU N . 51849 1 23 . 1 . 1 6 6 ARG H H 1 8.41 0.03 . 1 . . . . . 7 ARG H . 51849 1 24 . 1 . 1 6 6 ARG HA H 1 3.92 0.03 . 1 . . . . . 7 ARG HA . 51849 1 25 . 1 . 1 6 6 ARG C C 13 178.6 0.3 . 1 . . . . . 7 ARG C . 51849 1 26 . 1 . 1 6 6 ARG CA C 13 59.8 0.3 . 1 . . . . . 7 ARG CA . 51849 1 27 . 1 . 1 6 6 ARG CB C 13 31.0 0.3 . 1 . . . . . 7 ARG CB . 51849 1 28 . 1 . 1 6 6 ARG N N 15 120.2 0.3 . 1 . . . . . 7 ARG N . 51849 1 29 . 1 . 1 7 7 ILE H H 1 8.31 0.03 . 1 . . . . . 8 ILE H . 51849 1 30 . 1 . 1 7 7 ILE HA H 1 4.02 0.03 . 1 . . . . . 8 ILE HA . 51849 1 31 . 1 . 1 7 7 ILE C C 13 174.3 0.3 . 1 . . . . . 8 ILE C . 51849 1 32 . 1 . 1 7 7 ILE CA C 13 62.7 0.3 . 1 . . . . . 8 ILE CA . 51849 1 33 . 1 . 1 7 7 ILE CB C 13 39.1 0.3 . 1 . . . . . 8 ILE CB . 51849 1 34 . 1 . 1 7 7 ILE N N 15 114.4 0.3 . 1 . . . . . 8 ILE N . 51849 1 35 . 1 . 1 8 8 GLY H H 1 7.10 0.03 . 1 . . . . . 9 GLY H . 51849 1 36 . 1 . 1 8 8 GLY C C 13 175.4 0.3 . 1 . . . . . 9 GLY C . 51849 1 37 . 1 . 1 8 8 GLY CA C 13 44.4 0.3 . 1 . . . . . 9 GLY CA . 51849 1 38 . 1 . 1 8 8 GLY N N 15 104.1 0.3 . 1 . . . . . 9 GLY N . 51849 1 39 . 1 . 1 9 9 GLY H H 1 8.15 0.03 . 1 . . . . . 10 GLY H . 51849 1 40 . 1 . 1 9 9 GLY C C 13 173.4 0.3 . 1 . . . . . 10 GLY C . 51849 1 41 . 1 . 1 9 9 GLY CA C 13 44.7 0.3 . 1 . . . . . 10 GLY CA . 51849 1 42 . 1 . 1 9 9 GLY N N 15 110.6 0.3 . 1 . . . . . 10 GLY N . 51849 1 43 . 1 . 1 10 10 GLU H H 1 8.53 0.03 . 1 . . . . . 11 GLU H . 51849 1 44 . 1 . 1 10 10 GLU HA H 1 3.78 0.03 . 1 . . . . . 11 GLU HA . 51849 1 45 . 1 . 1 10 10 GLU C C 13 178.3 0.3 . 1 . . . . . 11 GLU C . 51849 1 46 . 1 . 1 10 10 GLU CA C 13 60.3 0.3 . 1 . . . . . 11 GLU CA . 51849 1 47 . 1 . 1 10 10 GLU CB C 13 29.9 0.3 . 1 . . . . . 11 GLU CB . 51849 1 48 . 1 . 1 10 10 GLU N N 15 124.2 0.3 . 1 . . . . . 11 GLU N . 51849 1 49 . 1 . 1 11 11 GLU H H 1 8.89 0.03 . 1 . . . . . 12 GLU H . 51849 1 50 . 1 . 1 11 11 GLU HA H 1 3.92 0.03 . 1 . . . . . 12 GLU HA . 51849 1 51 . 1 . 1 11 11 GLU C C 13 179.3 0.3 . 1 . . . . . 12 GLU C . 51849 1 52 . 1 . 1 11 11 GLU CA C 13 59.6 0.3 . 1 . . . . . 12 GLU CA . 51849 1 53 . 1 . 1 11 11 GLU CB C 13 29.4 0.3 . 1 . . . . . 12 GLU CB . 51849 1 54 . 1 . 1 11 11 GLU N N 15 116.6 0.3 . 1 . . . . . 12 GLU N . 51849 1 55 . 1 . 1 12 12 ALA H H 1 6.83 0.03 . 1 . . . . . 13 ALA H . 51849 1 56 . 1 . 1 12 12 ALA HA H 1 4.15 0.03 . 1 . . . . . 13 ALA HA . 51849 1 57 . 1 . 1 12 12 ALA C C 13 179.1 0.3 . 1 . . . . . 13 ALA C . 51849 1 58 . 1 . 1 12 12 ALA CA C 13 54.6 0.3 . 1 . . . . . 13 ALA CA . 51849 1 59 . 1 . 1 12 12 ALA CB C 13 19.0 0.3 . 1 . . . . . 13 ALA CB . 51849 1 60 . 1 . 1 12 12 ALA N N 15 121.9 0.3 . 1 . . . . . 13 ALA N . 51849 1 61 . 1 . 1 13 13 VAL H H 1 8.06 0.03 . 1 . . . . . 14 VAL H . 51849 1 62 . 1 . 1 13 13 VAL HA H 1 3.20 0.03 . 1 . . . . . 14 VAL HA . 51849 1 63 . 1 . 1 13 13 VAL C C 13 177.7 0.3 . 1 . . . . . 14 VAL C . 51849 1 64 . 1 . 1 13 13 VAL CA C 13 67.8 0.3 . 1 . . . . . 14 VAL CA . 51849 1 65 . 1 . 1 13 13 VAL CB C 13 31.2 0.3 . 1 . . . . . 14 VAL CB . 51849 1 66 . 1 . 1 13 13 VAL N N 15 117.5 0.3 . 1 . . . . . 14 VAL N . 51849 1 67 . 1 . 1 14 14 GLU H H 1 8.28 0.03 . 1 . . . . . 15 GLU H . 51849 1 68 . 1 . 1 14 14 GLU HA H 1 3.79 0.03 . 1 . . . . . 15 GLU HA . 51849 1 69 . 1 . 1 14 14 GLU C C 13 177.8 0.3 . 1 . . . . . 15 GLU C . 51849 1 70 . 1 . 1 14 14 GLU CA C 13 60.0 0.3 . 1 . . . . . 15 GLU CA . 51849 1 71 . 1 . 1 14 14 GLU CB C 13 29.4 0.3 . 1 . . . . . 15 GLU CB . 51849 1 72 . 1 . 1 14 14 GLU N N 15 118.2 0.3 . 1 . . . . . 15 GLU N . 51849 1 73 . 1 . 1 15 15 ALA H H 1 7.36 0.03 . 1 . . . . . 16 ALA H . 51849 1 74 . 1 . 1 15 15 ALA HA H 1 4.16 0.03 . 1 . . . . . 16 ALA HA . 51849 1 75 . 1 . 1 15 15 ALA C C 13 180.8 0.3 . 1 . . . . . 16 ALA C . 51849 1 76 . 1 . 1 15 15 ALA CA C 13 55.1 0.3 . 1 . . . . . 16 ALA CA . 51849 1 77 . 1 . 1 15 15 ALA CB C 13 18.3 0.3 . 1 . . . . . 16 ALA CB . 51849 1 78 . 1 . 1 15 15 ALA N N 15 120.4 0.3 . 1 . . . . . 16 ALA N . 51849 1 79 . 1 . 1 16 16 VAL H H 1 8.43 0.03 . 1 . . . . . 17 VAL H . 51849 1 80 . 1 . 1 16 16 VAL HA H 1 3.56 0.03 . 1 . . . . . 17 VAL HA . 51849 1 81 . 1 . 1 16 16 VAL C C 13 177.4 0.3 . 1 . . . . . 17 VAL C . 51849 1 82 . 1 . 1 16 16 VAL CA C 13 65.3 0.3 . 1 . . . . . 17 VAL CA . 51849 1 83 . 1 . 1 16 16 VAL CB C 13 31.8 0.3 . 1 . . . . . 17 VAL CB . 51849 1 84 . 1 . 1 16 16 VAL N N 15 119.1 0.3 . 1 . . . . . 17 VAL N . 51849 1 85 . 1 . 1 17 17 VAL H H 1 8.41 0.03 . 1 . . . . . 18 VAL H . 51849 1 86 . 1 . 1 17 17 VAL HA H 1 3.48 0.03 . 1 . . . . . 18 VAL HA . 51849 1 87 . 1 . 1 17 17 VAL C C 13 177.1 0.3 . 1 . . . . . 18 VAL C . 51849 1 88 . 1 . 1 17 17 VAL CA C 13 67.6 0.3 . 1 . . . . . 18 VAL CA . 51849 1 89 . 1 . 1 17 17 VAL CB C 13 31.4 0.3 . 1 . . . . . 18 VAL CB . 51849 1 90 . 1 . 1 17 17 VAL N N 15 118.5 0.3 . 1 . . . . . 18 VAL N . 51849 1 91 . 1 . 1 18 18 ASP H H 1 8.05 0.03 . 1 . . . . . 19 ASP H . 51849 1 92 . 1 . 1 18 18 ASP HA H 1 4.43 0.03 . 1 . . . . . 19 ASP HA . 51849 1 93 . 1 . 1 18 18 ASP C C 13 178.8 0.3 . 1 . . . . . 19 ASP C . 51849 1 94 . 1 . 1 18 18 ASP CA C 13 58.0 0.3 . 1 . . . . . 19 ASP CA . 51849 1 95 . 1 . 1 18 18 ASP CB C 13 41.2 0.3 . 1 . . . . . 19 ASP CB . 51849 1 96 . 1 . 1 18 18 ASP N N 15 118.2 0.3 . 1 . . . . . 19 ASP N . 51849 1 97 . 1 . 1 19 19 ASP H H 1 7.94 0.03 . 1 . . . . . 20 ASP H . 51849 1 98 . 1 . 1 19 19 ASP HA H 1 4.40 0.03 . 1 . . . . . 20 ASP HA . 51849 1 99 . 1 . 1 19 19 ASP C C 13 177.5 0.3 . 1 . . . . . 20 ASP C . 51849 1 100 . 1 . 1 19 19 ASP CA C 13 57.8 0.3 . 1 . . . . . 20 ASP CA . 51849 1 101 . 1 . 1 19 19 ASP CB C 13 42.1 0.3 . 1 . . . . . 20 ASP CB . 51849 1 102 . 1 . 1 19 19 ASP N N 15 119.5 0.3 . 1 . . . . . 20 ASP N . 51849 1 103 . 1 . 1 20 20 PHE H H 1 8.95 0.03 . 1 . . . . . 21 PHE H . 51849 1 104 . 1 . 1 20 20 PHE HA H 1 4.07 0.03 . 1 . . . . . 21 PHE HA . 51849 1 105 . 1 . 1 20 20 PHE C C 13 177.0 0.3 . 1 . . . . . 21 PHE C . 51849 1 106 . 1 . 1 20 20 PHE CA C 13 61.2 0.3 . 1 . . . . . 21 PHE CA . 51849 1 107 . 1 . 1 20 20 PHE N N 15 120.4 0.3 . 1 . . . . . 21 PHE N . 51849 1 108 . 1 . 1 21 21 TYR H H 1 8.38 0.03 . 1 . . . . . 22 TYR H . 51849 1 109 . 1 . 1 21 21 TYR HA H 1 3.75 0.03 . 1 . . . . . 22 TYR HA . 51849 1 110 . 1 . 1 21 21 TYR N N 15 116.3 0.3 . 1 . . . . . 22 TYR N . 51849 1 111 . 1 . 1 22 22 LYS HA H 1 3.72 0.03 . 1 . . . . . 23 LYS HA . 51849 1 112 . 1 . 1 22 22 LYS C C 13 179.5 0.3 . 1 . . . . . 23 LYS C . 51849 1 113 . 1 . 1 22 22 LYS CA C 13 59.9 0.3 . 1 . . . . . 23 LYS CA . 51849 1 114 . 1 . 1 22 22 LYS CB C 13 32.1 0.3 . 1 . . . . . 23 LYS CB . 51849 1 115 . 1 . 1 23 23 ARG H H 1 7.49 0.03 . 1 . . . . . 24 ARG H . 51849 1 116 . 1 . 1 23 23 ARG HA H 1 3.62 0.03 . 1 . . . . . 24 ARG HA . 51849 1 117 . 1 . 1 23 23 ARG C C 13 177.5 0.3 . 1 . . . . . 24 ARG C . 51849 1 118 . 1 . 1 23 23 ARG CA C 13 59.2 0.3 . 1 . . . . . 24 ARG CA . 51849 1 119 . 1 . 1 23 23 ARG CB C 13 29.6 0.3 . 1 . . . . . 24 ARG CB . 51849 1 120 . 1 . 1 23 23 ARG N N 15 118.6 0.3 . 1 . . . . . 24 ARG N . 51849 1 121 . 1 . 1 24 24 VAL H H 1 7.68 0.03 . 1 . . . . . 25 VAL H . 51849 1 122 . 1 . 1 24 24 VAL HA H 1 2.97 0.03 . 1 . . . . . 25 VAL HA . 51849 1 123 . 1 . 1 24 24 VAL C C 13 177.4 0.3 . 1 . . . . . 25 VAL C . 51849 1 124 . 1 . 1 24 24 VAL CA C 13 65.9 0.3 . 1 . . . . . 25 VAL CA . 51849 1 125 . 1 . 1 24 24 VAL N N 15 116.8 0.3 . 1 . . . . . 25 VAL N . 51849 1 126 . 1 . 1 25 25 LEU H H 1 7.61 0.03 . 1 . . . . . 26 LEU H . 51849 1 127 . 1 . 1 25 25 LEU HA H 1 3.70 0.03 . 1 . . . . . 26 LEU HA . 51849 1 128 . 1 . 1 25 25 LEU C C 13 177.8 0.3 . 1 . . . . . 26 LEU C . 51849 1 129 . 1 . 1 25 25 LEU CA C 13 56.6 0.3 . 1 . . . . . 26 LEU CA . 51849 1 130 . 1 . 1 25 25 LEU CB C 13 40.9 0.3 . 1 . . . . . 26 LEU CB . 51849 1 131 . 1 . 1 25 25 LEU N N 15 116.0 0.3 . 1 . . . . . 26 LEU N . 51849 1 132 . 1 . 1 26 26 ALA H H 1 6.83 0.03 . 1 . . . . . 27 ALA H . 51849 1 133 . 1 . 1 26 26 ALA HA H 1 4.25 0.03 . 1 . . . . . 27 ALA HA . 51849 1 134 . 1 . 1 26 26 ALA C C 13 175.9 0.3 . 1 . . . . . 27 ALA C . 51849 1 135 . 1 . 1 26 26 ALA CA C 13 51.6 0.3 . 1 . . . . . 27 ALA CA . 51849 1 136 . 1 . 1 26 26 ALA CB C 13 19.0 0.3 . 1 . . . . . 27 ALA CB . 51849 1 137 . 1 . 1 26 26 ALA N N 15 118.6 0.3 . 1 . . . . . 27 ALA N . 51849 1 138 . 1 . 1 27 27 ASP H H 1 7.25 0.03 . 1 . . . . . 28 ASP H . 51849 1 139 . 1 . 1 27 27 ASP HA H 1 4.67 0.03 . 1 . . . . . 28 ASP HA . 51849 1 140 . 1 . 1 27 27 ASP C C 13 176.7 0.3 . 1 . . . . . 28 ASP C . 51849 1 141 . 1 . 1 27 27 ASP CA C 13 52.7 0.3 . 1 . . . . . 28 ASP CA . 51849 1 142 . 1 . 1 27 27 ASP CB C 13 42.0 0.3 . 1 . . . . . 28 ASP CB . 51849 1 143 . 1 . 1 27 27 ASP N N 15 120.8 0.3 . 1 . . . . . 28 ASP N . 51849 1 144 . 1 . 1 28 28 ASP H H 1 8.99 0.03 . 1 . . . . . 29 ASP H . 51849 1 145 . 1 . 1 28 28 ASP HA H 1 4.26 0.03 . 1 . . . . . 29 ASP HA . 51849 1 146 . 1 . 1 28 28 ASP C C 13 177.4 0.3 . 1 . . . . . 29 ASP C . 51849 1 147 . 1 . 1 28 28 ASP CA C 13 57.1 0.3 . 1 . . . . . 29 ASP CA . 51849 1 148 . 1 . 1 28 28 ASP CB C 13 40.5 0.3 . 1 . . . . . 29 ASP CB . 51849 1 149 . 1 . 1 28 28 ASP N N 15 127.9 0.3 . 1 . . . . . 29 ASP N . 51849 1 150 . 1 . 1 29 29 ARG H H 1 8.63 0.03 . 1 . . . . . 30 ARG H . 51849 1 151 . 1 . 1 29 29 ARG HA H 1 4.10 0.03 . 1 . . . . . 30 ARG HA . 51849 1 152 . 1 . 1 29 29 ARG C C 13 177.4 0.3 . 1 . . . . . 30 ARG C . 51849 1 153 . 1 . 1 29 29 ARG CA C 13 58.1 0.3 . 1 . . . . . 30 ARG CA . 51849 1 154 . 1 . 1 29 29 ARG CB C 13 31.1 0.3 . 1 . . . . . 30 ARG CB . 51849 1 155 . 1 . 1 29 29 ARG N N 15 116.8 0.3 . 1 . . . . . 30 ARG N . 51849 1 156 . 1 . 1 30 30 LEU H H 1 7.46 0.03 . 1 . . . . . 31 LEU H . 51849 1 157 . 1 . 1 30 30 LEU HA H 1 4.59 0.03 . 1 . . . . . 31 LEU HA . 51849 1 158 . 1 . 1 30 30 LEU C C 13 176.8 0.3 . 1 . . . . . 31 LEU C . 51849 1 159 . 1 . 1 30 30 LEU CA C 13 54.1 0.3 . 1 . . . . . 31 LEU CA . 51849 1 160 . 1 . 1 30 30 LEU CB C 13 44.5 0.3 . 1 . . . . . 31 LEU CB . 51849 1 161 . 1 . 1 30 30 LEU N N 15 114.4 0.3 . 1 . . . . . 31 LEU N . 51849 1 162 . 1 . 1 31 31 ALA H H 1 8.35 0.03 . 1 . . . . . 32 ALA H . 51849 1 163 . 1 . 1 31 31 ALA N N 15 122.7 0.3 . 1 . . . . . 32 ALA N . 51849 1 164 . 1 . 1 32 32 PRO HA H 1 4.04 0.03 . 1 . . . . . 33 PRO HA . 51849 1 165 . 1 . 1 32 32 PRO C C 13 178.5 0.3 . 1 . . . . . 33 PRO C . 51849 1 166 . 1 . 1 32 32 PRO CA C 13 66.0 0.3 . 1 . . . . . 33 PRO CA . 51849 1 167 . 1 . 1 32 32 PRO CB C 13 31.2 0.3 . 1 . . . . . 33 PRO CB . 51849 1 168 . 1 . 1 33 33 PHE H H 1 7.64 0.03 . 1 . . . . . 34 PHE H . 51849 1 169 . 1 . 1 33 33 PHE HA H 1 4.09 0.03 . 1 . . . . . 34 PHE HA . 51849 1 170 . 1 . 1 33 33 PHE C C 13 175.9 0.3 . 1 . . . . . 34 PHE C . 51849 1 171 . 1 . 1 33 33 PHE CA C 13 59.5 0.3 . 1 . . . . . 34 PHE CA . 51849 1 172 . 1 . 1 33 33 PHE CB C 13 38.1 0.3 . 1 . . . . . 34 PHE CB . 51849 1 173 . 1 . 1 33 33 PHE N N 15 113.6 0.3 . 1 . . . . . 34 PHE N . 51849 1 174 . 1 . 1 34 34 PHE H H 1 7.80 0.03 . 1 . . . . . 35 PHE H . 51849 1 175 . 1 . 1 34 34 PHE HA H 1 4.49 0.03 . 1 . . . . . 35 PHE HA . 51849 1 176 . 1 . 1 34 34 PHE C C 13 176.1 0.3 . 1 . . . . . 35 PHE C . 51849 1 177 . 1 . 1 34 34 PHE CA C 13 58.1 0.3 . 1 . . . . . 35 PHE CA . 51849 1 178 . 1 . 1 34 34 PHE CB C 13 40.5 0.3 . 1 . . . . . 35 PHE CB . 51849 1 179 . 1 . 1 34 34 PHE N N 15 115.4 0.3 . 1 . . . . . 35 PHE N . 51849 1 180 . 1 . 1 35 35 GLU H H 1 7.45 0.03 . 1 . . . . . 36 GLU H . 51849 1 181 . 1 . 1 35 35 GLU HA H 1 4.14 0.03 . 1 . . . . . 36 GLU HA . 51849 1 182 . 1 . 1 35 35 GLU C C 13 177.3 0.3 . 1 . . . . . 36 GLU C . 51849 1 183 . 1 . 1 35 35 GLU CA C 13 57.9 0.3 . 1 . . . . . 36 GLU CA . 51849 1 184 . 1 . 1 35 35 GLU CB C 13 29.8 0.3 . 1 . . . . . 36 GLU CB . 51849 1 185 . 1 . 1 35 35 GLU N N 15 122.4 0.3 . 1 . . . . . 36 GLU N . 51849 1 186 . 1 . 1 36 36 GLY H H 1 8.80 0.03 . 1 . . . . . 37 GLY H . 51849 1 187 . 1 . 1 36 36 GLY C C 13 174.5 0.3 . 1 . . . . . 37 GLY C . 51849 1 188 . 1 . 1 36 36 GLY N N 15 112.8 0.3 . 1 . . . . . 37 GLY N . 51849 1 189 . 1 . 1 37 37 THR H H 1 7.76 0.03 . 1 . . . . . 38 THR H . 51849 1 190 . 1 . 1 37 37 THR HA H 1 4.30 0.03 . 1 . . . . . 38 THR HA . 51849 1 191 . 1 . 1 37 37 THR C C 13 173.8 0.3 . 1 . . . . . 38 THR C . 51849 1 192 . 1 . 1 37 37 THR CA C 13 62.2 0.3 . 1 . . . . . 38 THR CA . 51849 1 193 . 1 . 1 37 37 THR CB C 13 70.3 0.3 . 1 . . . . . 38 THR CB . 51849 1 194 . 1 . 1 37 37 THR N N 15 114.0 0.3 . 1 . . . . . 38 THR N . 51849 1 195 . 1 . 1 38 38 ASP H H 1 8.45 0.03 . 1 . . . . . 39 ASP H . 51849 1 196 . 1 . 1 38 38 ASP HA H 1 4.66 0.03 . 1 . . . . . 39 ASP HA . 51849 1 197 . 1 . 1 38 38 ASP C C 13 176.9 0.3 . 1 . . . . . 39 ASP C . 51849 1 198 . 1 . 1 38 38 ASP CA C 13 53.4 0.3 . 1 . . . . . 39 ASP CA . 51849 1 199 . 1 . 1 38 38 ASP CB C 13 40.9 0.3 . 1 . . . . . 39 ASP CB . 51849 1 200 . 1 . 1 38 38 ASP N N 15 122.6 0.3 . 1 . . . . . 39 ASP N . 51849 1 201 . 1 . 1 39 39 MET H H 1 8.76 0.03 . 1 . . . . . 40 MET H . 51849 1 202 . 1 . 1 39 39 MET HA H 1 4.32 0.03 . 1 . . . . . 40 MET HA . 51849 1 203 . 1 . 1 39 39 MET C C 13 178.7 0.3 . 1 . . . . . 40 MET C . 51849 1 204 . 1 . 1 39 39 MET CA C 13 56.8 0.3 . 1 . . . . . 40 MET CA . 51849 1 205 . 1 . 1 39 39 MET CB C 13 31.8 0.3 . 1 . . . . . 40 MET CB . 51849 1 206 . 1 . 1 39 39 MET N N 15 125.9 0.3 . 1 . . . . . 40 MET N . 51849 1 207 . 1 . 1 40 40 GLU H H 1 8.38 0.03 . 1 . . . . . 41 GLU H . 51849 1 208 . 1 . 1 40 40 GLU HA H 1 3.97 0.03 . 1 . . . . . 41 GLU HA . 51849 1 209 . 1 . 1 40 40 GLU C C 13 179.7 0.3 . 1 . . . . . 41 GLU C . 51849 1 210 . 1 . 1 40 40 GLU CA C 13 59.8 0.3 . 1 . . . . . 41 GLU CA . 51849 1 211 . 1 . 1 40 40 GLU CB C 13 28.9 0.3 . 1 . . . . . 41 GLU CB . 51849 1 212 . 1 . 1 40 40 GLU N N 15 121.1 0.3 . 1 . . . . . 41 GLU N . 51849 1 213 . 1 . 1 41 41 ARG H H 1 7.79 0.03 . 1 . . . . . 42 ARG H . 51849 1 214 . 1 . 1 41 41 ARG HA H 1 4.01 0.03 . 1 . . . . . 42 ARG HA . 51849 1 215 . 1 . 1 41 41 ARG C C 13 178.7 0.3 . 1 . . . . . 42 ARG C . 51849 1 216 . 1 . 1 41 41 ARG CA C 13 58.5 0.3 . 1 . . . . . 42 ARG CA . 51849 1 217 . 1 . 1 41 41 ARG CB C 13 30.1 0.3 . 1 . . . . . 42 ARG CB . 51849 1 218 . 1 . 1 41 41 ARG N N 15 120.9 0.3 . 1 . . . . . 42 ARG N . 51849 1 219 . 1 . 1 42 42 GLN H H 1 8.12 0.03 . 1 . . . . . 43 GLN H . 51849 1 220 . 1 . 1 42 42 GLN HA H 1 4.04 0.03 . 1 . . . . . 43 GLN HA . 51849 1 221 . 1 . 1 42 42 GLN C C 13 178.6 0.3 . 1 . . . . . 43 GLN C . 51849 1 222 . 1 . 1 42 42 GLN CA C 13 58.9 0.3 . 1 . . . . . 43 GLN CA . 51849 1 223 . 1 . 1 42 42 GLN CB C 13 28.5 0.3 . 1 . . . . . 43 GLN CB . 51849 1 224 . 1 . 1 42 42 GLN N N 15 118.5 0.3 . 1 . . . . . 43 GLN N . 51849 1 225 . 1 . 1 43 43 ARG H H 1 8.30 0.03 . 1 . . . . . 44 ARG H . 51849 1 226 . 1 . 1 43 43 ARG HA H 1 3.74 0.03 . 1 . . . . . 44 ARG HA . 51849 1 227 . 1 . 1 43 43 ARG C C 13 178.3 0.3 . 1 . . . . . 44 ARG C . 51849 1 228 . 1 . 1 43 43 ARG CA C 13 60.4 0.3 . 1 . . . . . 44 ARG CA . 51849 1 229 . 1 . 1 43 43 ARG CB C 13 30.3 0.3 . 1 . . . . . 44 ARG CB . 51849 1 230 . 1 . 1 43 43 ARG N N 15 119.2 0.3 . 1 . . . . . 44 ARG N . 51849 1 231 . 1 . 1 44 44 ALA H H 1 7.68 0.03 . 1 . . . . . 45 ALA H . 51849 1 232 . 1 . 1 44 44 ALA HA H 1 4.10 0.03 . 1 . . . . . 45 ALA HA . 51849 1 233 . 1 . 1 44 44 ALA C C 13 181.4 0.3 . 1 . . . . . 45 ALA C . 51849 1 234 . 1 . 1 44 44 ALA CA C 13 55.5 0.3 . 1 . . . . . 45 ALA CA . 51849 1 235 . 1 . 1 44 44 ALA CB C 13 17.9 0.3 . 1 . . . . . 45 ALA CB . 51849 1 236 . 1 . 1 44 44 ALA N N 15 121.4 0.3 . 1 . . . . . 45 ALA N . 51849 1 237 . 1 . 1 45 45 HIS H H 1 8.43 0.03 . 1 . . . . . 46 HIS H . 51849 1 238 . 1 . 1 45 45 HIS HA H 1 4.45 0.03 . 1 . . . . . 46 HIS HA . 51849 1 239 . 1 . 1 45 45 HIS C C 13 178.2 0.3 . 1 . . . . . 46 HIS C . 51849 1 240 . 1 . 1 45 45 HIS CA C 13 59.2 0.3 . 1 . . . . . 46 HIS CA . 51849 1 241 . 1 . 1 45 45 HIS CB C 13 30.1 0.3 . 1 . . . . . 46 HIS CB . 51849 1 242 . 1 . 1 45 45 HIS N N 15 119.5 0.3 . 1 . . . . . 46 HIS N . 51849 1 243 . 1 . 1 46 46 GLN H H 1 8.62 0.03 . 1 . . . . . 47 GLN H . 51849 1 244 . 1 . 1 46 46 GLN HA H 1 4.32 0.03 . 1 . . . . . 47 GLN HA . 51849 1 245 . 1 . 1 46 46 GLN C C 13 178.4 0.3 . 1 . . . . . 47 GLN C . 51849 1 246 . 1 . 1 46 46 GLN CA C 13 58.5 0.3 . 1 . . . . . 47 GLN CA . 51849 1 247 . 1 . 1 46 46 GLN CB C 13 28.6 0.3 . 1 . . . . . 47 GLN CB . 51849 1 248 . 1 . 1 46 46 GLN N N 15 120.2 0.3 . 1 . . . . . 47 GLN N . 51849 1 249 . 1 . 1 47 47 LYS H H 1 8.62 0.03 . 1 . . . . . 48 LYS H . 51849 1 250 . 1 . 1 47 47 LYS HA H 1 3.76 0.03 . 1 . . . . . 48 LYS HA . 51849 1 251 . 1 . 1 47 47 LYS C C 13 179.2 0.3 . 1 . . . . . 48 LYS C . 51849 1 252 . 1 . 1 47 47 LYS CA C 13 60.3 0.3 . 1 . . . . . 48 LYS CA . 51849 1 253 . 1 . 1 47 47 LYS CB C 13 32.4 0.3 . 1 . . . . . 48 LYS CB . 51849 1 254 . 1 . 1 47 47 LYS N N 15 119.5 0.3 . 1 . . . . . 48 LYS N . 51849 1 255 . 1 . 1 48 48 ALA H H 1 7.98 0.03 . 1 . . . . . 49 ALA H . 51849 1 256 . 1 . 1 48 48 ALA HA H 1 4.07 0.03 . 1 . . . . . 49 ALA HA . 51849 1 257 . 1 . 1 48 48 ALA C C 13 179.5 0.3 . 1 . . . . . 49 ALA C . 51849 1 258 . 1 . 1 48 48 ALA CA C 13 55.7 0.3 . 1 . . . . . 49 ALA CA . 51849 1 259 . 1 . 1 48 48 ALA CB C 13 18.1 0.3 . 1 . . . . . 49 ALA CB . 51849 1 260 . 1 . 1 48 48 ALA N N 15 125.0 0.3 . 1 . . . . . 49 ALA N . 51849 1 261 . 1 . 1 49 49 PHE H H 1 8.41 0.03 . 1 . . . . . 50 PHE H . 51849 1 262 . 1 . 1 49 49 PHE C C 13 176.8 0.3 . 1 . . . . . 50 PHE C . 51849 1 263 . 1 . 1 49 49 PHE CA C 13 61.0 0.3 . 1 . . . . . 50 PHE CA . 51849 1 264 . 1 . 1 49 49 PHE CB C 13 39.0 0.3 . 1 . . . . . 50 PHE CB . 51849 1 265 . 1 . 1 50 50 LEU H H 1 8.61 0.03 . 1 . . . . . 51 LEU H . 51849 1 266 . 1 . 1 50 50 LEU HA H 1 3.47 0.03 . 1 . . . . . 51 LEU HA . 51849 1 267 . 1 . 1 50 50 LEU C C 13 178.1 0.3 . 1 . . . . . 51 LEU C . 51849 1 268 . 1 . 1 50 50 LEU CA C 13 57.6 0.3 . 1 . . . . . 51 LEU CA . 51849 1 269 . 1 . 1 50 50 LEU CB C 13 42.2 0.3 . 1 . . . . . 51 LEU CB . 51849 1 270 . 1 . 1 50 50 LEU N N 15 118.6 0.3 . 1 . . . . . 51 LEU N . 51849 1 271 . 1 . 1 51 51 THR H H 1 8.07 0.03 . 1 . . . . . 52 THR H . 51849 1 272 . 1 . 1 51 51 THR HA H 1 3.45 0.03 . 1 . . . . . 52 THR HA . 51849 1 273 . 1 . 1 51 51 THR C C 13 175.2 0.3 . 1 . . . . . 52 THR C . 51849 1 274 . 1 . 1 51 51 THR CA C 13 68.4 0.3 . 1 . . . . . 52 THR CA . 51849 1 275 . 1 . 1 51 51 THR N N 15 114.4 0.3 . 1 . . . . . 52 THR N . 51849 1 276 . 1 . 1 52 52 ALA H H 1 7.55 0.03 . 1 . . . . . 53 ALA H . 51849 1 277 . 1 . 1 52 52 ALA HA H 1 3.78 0.03 . 1 . . . . . 53 ALA HA . 51849 1 278 . 1 . 1 52 52 ALA C C 13 181.4 0.3 . 1 . . . . . 53 ALA C . 51849 1 279 . 1 . 1 52 52 ALA CA C 13 54.8 0.3 . 1 . . . . . 53 ALA CA . 51849 1 280 . 1 . 1 52 52 ALA CB C 13 18.9 0.3 . 1 . . . . . 53 ALA CB . 51849 1 281 . 1 . 1 52 52 ALA N N 15 122.2 0.3 . 1 . . . . . 53 ALA N . 51849 1 282 . 1 . 1 53 53 ALA H H 1 8.41 0.03 . 1 . . . . . 54 ALA H . 51849 1 283 . 1 . 1 53 53 ALA HA H 1 3.75 0.03 . 1 . . . . . 54 ALA HA . 51849 1 284 . 1 . 1 53 53 ALA C C 13 177.6 0.3 . 1 . . . . . 54 ALA C . 51849 1 285 . 1 . 1 53 53 ALA CA C 13 54.6 0.3 . 1 . . . . . 54 ALA CA . 51849 1 286 . 1 . 1 53 53 ALA CB C 13 17.3 0.3 . 1 . . . . . 54 ALA CB . 51849 1 287 . 1 . 1 53 53 ALA N N 15 121.9 0.3 . 1 . . . . . 54 ALA N . 51849 1 288 . 1 . 1 54 54 LEU H H 1 7.52 0.03 . 1 . . . . . 55 LEU H . 51849 1 289 . 1 . 1 54 54 LEU HA H 1 4.20 0.03 . 1 . . . . . 55 LEU HA . 51849 1 290 . 1 . 1 54 54 LEU C C 13 175.8 0.3 . 1 . . . . . 55 LEU C . 51849 1 291 . 1 . 1 54 54 LEU CA C 13 54.4 0.3 . 1 . . . . . 55 LEU CA . 51849 1 292 . 1 . 1 54 54 LEU CB C 13 40.7 0.3 . 1 . . . . . 55 LEU CB . 51849 1 293 . 1 . 1 54 54 LEU N N 15 112.2 0.3 . 1 . . . . . 55 LEU N . 51849 1 294 . 1 . 1 55 55 GLY H H 1 7.71 0.03 . 1 . . . . . 56 GLY H . 51849 1 295 . 1 . 1 55 55 GLY C C 13 176.1 0.3 . 1 . . . . . 56 GLY C . 51849 1 296 . 1 . 1 55 55 GLY CA C 13 46.0 0.3 . 1 . . . . . 56 GLY CA . 51849 1 297 . 1 . 1 55 55 GLY N N 15 105.9 0.3 . 1 . . . . . 56 GLY N . 51849 1 298 . 1 . 1 56 56 GLY H H 1 8.34 0.03 . 1 . . . . . 57 GLY H . 51849 1 299 . 1 . 1 56 56 GLY C C 13 170.9 0.3 . 1 . . . . . 57 GLY C . 51849 1 300 . 1 . 1 56 56 GLY CA C 13 44.0 0.3 . 1 . . . . . 57 GLY CA . 51849 1 301 . 1 . 1 56 56 GLY N N 15 108.4 0.3 . 1 . . . . . 57 GLY N . 51849 1 302 . 1 . 1 57 57 PRO HA H 1 4.30 0.03 . 1 . . . . . 58 PRO HA . 51849 1 303 . 1 . 1 57 57 PRO C C 13 175.5 0.3 . 1 . . . . . 58 PRO C . 51849 1 304 . 1 . 1 57 57 PRO CA C 13 63.3 0.3 . 1 . . . . . 58 PRO CA . 51849 1 305 . 1 . 1 57 57 PRO CB C 13 30.6 0.3 . 1 . . . . . 58 PRO CB . 51849 1 306 . 1 . 1 58 58 VAL H H 1 7.89 0.03 . 1 . . . . . 59 VAL H . 51849 1 307 . 1 . 1 58 58 VAL HA H 1 4.02 0.03 . 1 . . . . . 59 VAL HA . 51849 1 308 . 1 . 1 58 58 VAL C C 13 175.2 0.3 . 1 . . . . . 59 VAL C . 51849 1 309 . 1 . 1 58 58 VAL CA C 13 61.3 0.3 . 1 . . . . . 59 VAL CA . 51849 1 310 . 1 . 1 58 58 VAL CB C 13 34.0 0.3 . 1 . . . . . 59 VAL CB . 51849 1 311 . 1 . 1 58 58 VAL N N 15 120.5 0.3 . 1 . . . . . 59 VAL N . 51849 1 312 . 1 . 1 59 59 GLU H H 1 8.44 0.03 . 1 . . . . . 60 GLU H . 51849 1 313 . 1 . 1 59 59 GLU HA H 1 4.28 0.03 . 1 . . . . . 60 GLU HA . 51849 1 314 . 1 . 1 59 59 GLU C C 13 175.6 0.3 . 1 . . . . . 60 GLU C . 51849 1 315 . 1 . 1 59 59 GLU CA C 13 55.8 0.3 . 1 . . . . . 60 GLU CA . 51849 1 316 . 1 . 1 59 59 GLU CB C 13 30.4 0.3 . 1 . . . . . 60 GLU CB . 51849 1 317 . 1 . 1 59 59 GLU N N 15 125.5 0.3 . 1 . . . . . 60 GLU N . 51849 1 318 . 1 . 1 60 60 TYR H H 1 8.27 0.03 . 1 . . . . . 61 TYR H . 51849 1 319 . 1 . 1 60 60 TYR HA H 1 4.59 0.03 . 1 . . . . . 61 TYR HA . 51849 1 320 . 1 . 1 60 60 TYR N N 15 123.5 0.3 . 1 . . . . . 61 TYR N . 51849 1 321 . 1 . 1 62 62 GLY C C 13 174.4 0.3 . 1 . . . . . 63 GLY C . 51849 1 322 . 1 . 1 62 62 GLY CA C 13 46.0 0.3 . 1 . . . . . 63 GLY CA . 51849 1 323 . 1 . 1 63 63 ARG H H 1 8.03 0.03 . 1 . . . . . 64 ARG H . 51849 1 324 . 1 . 1 63 63 ARG CA C 13 57.2 0.3 . 1 . . . . . 64 ARG CA . 51849 1 325 . 1 . 1 63 63 ARG CB C 13 30.8 0.3 . 1 . . . . . 64 ARG CB . 51849 1 326 . 1 . 1 63 63 ARG N N 15 120.1 0.3 . 1 . . . . . 64 ARG N . 51849 1 327 . 1 . 1 79 79 PHE HA H 1 4.04 0.03 . 1 . . . . . 80 PHE HA . 51849 1 328 . 1 . 1 79 79 PHE C C 13 176.9 0.3 . 1 . . . . . 80 PHE C . 51849 1 329 . 1 . 1 80 80 ASP H H 1 8.64 0.03 . 1 . . . . . 81 ASP H . 51849 1 330 . 1 . 1 80 80 ASP HA H 1 4.22 0.03 . 1 . . . . . 81 ASP HA . 51849 1 331 . 1 . 1 80 80 ASP C C 13 178.6 0.3 . 1 . . . . . 81 ASP C . 51849 1 332 . 1 . 1 80 80 ASP CA C 13 57.6 0.3 . 1 . . . . . 81 ASP CA . 51849 1 333 . 1 . 1 80 80 ASP CB C 13 39.6 0.3 . 1 . . . . . 81 ASP CB . 51849 1 334 . 1 . 1 80 80 ASP N N 15 118.6 0.3 . 1 . . . . . 81 ASP N . 51849 1 335 . 1 . 1 81 81 ALA H H 1 7.69 0.03 . 1 . . . . . 82 ALA H . 51849 1 336 . 1 . 1 81 81 ALA HA H 1 4.05 0.03 . 1 . . . . . 82 ALA HA . 51849 1 337 . 1 . 1 81 81 ALA C C 13 179.2 0.3 . 1 . . . . . 82 ALA C . 51849 1 338 . 1 . 1 81 81 ALA CA C 13 54.9 0.3 . 1 . . . . . 82 ALA CA . 51849 1 339 . 1 . 1 81 81 ALA CB C 13 18.0 0.3 . 1 . . . . . 82 ALA CB . 51849 1 340 . 1 . 1 81 81 ALA N N 15 122.6 0.3 . 1 . . . . . 82 ALA N . 51849 1 341 . 1 . 1 82 82 VAL H H 1 7.92 0.03 . 1 . . . . . 83 VAL H . 51849 1 342 . 1 . 1 82 82 VAL HA H 1 3.47 0.03 . 1 . . . . . 83 VAL HA . 51849 1 343 . 1 . 1 82 82 VAL C C 13 177.7 0.3 . 1 . . . . . 83 VAL C . 51849 1 344 . 1 . 1 82 82 VAL CA C 13 67.3 0.3 . 1 . . . . . 83 VAL CA . 51849 1 345 . 1 . 1 82 82 VAL CB C 13 31.3 0.3 . 1 . . . . . 83 VAL CB . 51849 1 346 . 1 . 1 82 82 VAL N N 15 117.8 0.3 . 1 . . . . . 83 VAL N . 51849 1 347 . 1 . 1 83 83 ALA H H 1 8.43 0.03 . 1 . . . . . 84 ALA H . 51849 1 348 . 1 . 1 83 83 ALA HA H 1 3.72 0.03 . 1 . . . . . 84 ALA HA . 51849 1 349 . 1 . 1 83 83 ALA C C 13 179.1 0.3 . 1 . . . . . 84 ALA C . 51849 1 350 . 1 . 1 83 83 ALA CA C 13 55.7 0.3 . 1 . . . . . 84 ALA CA . 51849 1 351 . 1 . 1 83 83 ALA CB C 13 17.5 0.3 . 1 . . . . . 84 ALA CB . 51849 1 352 . 1 . 1 83 83 ALA N N 15 121.5 0.3 . 1 . . . . . 84 ALA N . 51849 1 353 . 1 . 1 84 84 GLU H H 1 7.73 0.03 . 1 . . . . . 85 GLU H . 51849 1 354 . 1 . 1 84 84 GLU HA H 1 3.83 0.03 . 1 . . . . . 85 GLU HA . 51849 1 355 . 1 . 1 84 84 GLU C C 13 180.1 0.3 . 1 . . . . . 85 GLU C . 51849 1 356 . 1 . 1 84 84 GLU CA C 13 59.5 0.3 . 1 . . . . . 85 GLU CA . 51849 1 357 . 1 . 1 84 84 GLU CB C 13 29.3 0.3 . 1 . . . . . 85 GLU CB . 51849 1 358 . 1 . 1 84 84 GLU N N 15 117.5 0.3 . 1 . . . . . 85 GLU N . 51849 1 359 . 1 . 1 85 85 HIS H H 1 7.69 0.03 . 1 . . . . . 86 HIS H . 51849 1 360 . 1 . 1 85 85 HIS HA H 1 4.65 0.03 . 1 . . . . . 86 HIS HA . 51849 1 361 . 1 . 1 85 85 HIS C C 13 178.7 0.3 . 1 . . . . . 86 HIS C . 51849 1 362 . 1 . 1 85 85 HIS CA C 13 59.5 0.3 . 1 . . . . . 86 HIS CA . 51849 1 363 . 1 . 1 85 85 HIS CB C 13 31.3 0.3 . 1 . . . . . 86 HIS CB . 51849 1 364 . 1 . 1 85 85 HIS N N 15 118.5 0.3 . 1 . . . . . 86 HIS N . 51849 1 365 . 1 . 1 86 86 LEU H H 1 8.65 0.03 . 1 . . . . . 87 LEU H . 51849 1 366 . 1 . 1 86 86 LEU HA H 1 4.11 0.03 . 1 . . . . . 87 LEU HA . 51849 1 367 . 1 . 1 86 86 LEU C C 13 178.1 0.3 . 1 . . . . . 87 LEU C . 51849 1 368 . 1 . 1 86 86 LEU CA C 13 58.7 0.3 . 1 . . . . . 87 LEU CA . 51849 1 369 . 1 . 1 86 86 LEU CB C 13 41.6 0.3 . 1 . . . . . 87 LEU CB . 51849 1 370 . 1 . 1 86 86 LEU N N 15 123.2 0.3 . 1 . . . . . 87 LEU N . 51849 1 371 . 1 . 1 87 87 VAL H H 1 8.51 0.03 . 1 . . . . . 88 VAL H . 51849 1 372 . 1 . 1 87 87 VAL HA H 1 3.37 0.03 . 1 . . . . . 88 VAL HA . 51849 1 373 . 1 . 1 87 87 VAL C C 13 177.4 0.3 . 1 . . . . . 88 VAL C . 51849 1 374 . 1 . 1 87 87 VAL CA C 13 67.8 0.3 . 1 . . . . . 88 VAL CA . 51849 1 375 . 1 . 1 87 87 VAL CB C 13 31.6 0.3 . 1 . . . . . 88 VAL CB . 51849 1 376 . 1 . 1 87 87 VAL N N 15 119.1 0.3 . 1 . . . . . 88 VAL N . 51849 1 377 . 1 . 1 88 88 ALA H H 1 7.97 0.03 . 1 . . . . . 89 ALA H . 51849 1 378 . 1 . 1 88 88 ALA HA H 1 4.01 0.03 . 1 . . . . . 89 ALA HA . 51849 1 379 . 1 . 1 88 88 ALA C C 13 180.9 0.3 . 1 . . . . . 89 ALA C . 51849 1 380 . 1 . 1 88 88 ALA CA C 13 55.7 0.3 . 1 . . . . . 89 ALA CA . 51849 1 381 . 1 . 1 88 88 ALA CB C 13 18.6 0.3 . 1 . . . . . 89 ALA CB . 51849 1 382 . 1 . 1 88 88 ALA N N 15 120.7 0.3 . 1 . . . . . 89 ALA N . 51849 1 383 . 1 . 1 89 89 THR H H 1 8.29 0.03 . 1 . . . . . 90 THR H . 51849 1 384 . 1 . 1 89 89 THR HA H 1 3.88 0.03 . 1 . . . . . 90 THR HA . 51849 1 385 . 1 . 1 89 89 THR C C 13 176.6 0.3 . 1 . . . . . 90 THR C . 51849 1 386 . 1 . 1 89 89 THR CA C 13 67.6 0.3 . 1 . . . . . 90 THR CA . 51849 1 387 . 1 . 1 89 89 THR CB C 13 69.2 0.3 . 1 . . . . . 90 THR CB . 51849 1 388 . 1 . 1 89 89 THR N N 15 116.5 0.3 . 1 . . . . . 90 THR N . 51849 1 389 . 1 . 1 90 90 LEU H H 1 8.15 0.03 . 1 . . . . . 91 LEU H . 51849 1 390 . 1 . 1 90 90 LEU HA H 1 3.85 0.03 . 1 . . . . . 91 LEU HA . 51849 1 391 . 1 . 1 90 90 LEU C C 13 178.6 0.3 . 1 . . . . . 91 LEU C . 51849 1 392 . 1 . 1 90 90 LEU CA C 13 58.3 0.3 . 1 . . . . . 91 LEU CA . 51849 1 393 . 1 . 1 90 90 LEU CB C 13 41.3 0.3 . 1 . . . . . 91 LEU CB . 51849 1 394 . 1 . 1 90 90 LEU N N 15 120.2 0.3 . 1 . . . . . 91 LEU N . 51849 1 395 . 1 . 1 91 91 ARG H H 1 8.79 0.03 . 1 . . . . . 92 ARG H . 51849 1 396 . 1 . 1 91 91 ARG HA H 1 3.96 0.03 . 1 . . . . . 92 ARG HA . 51849 1 397 . 1 . 1 91 91 ARG C C 13 181.1 0.3 . 1 . . . . . 92 ARG C . 51849 1 398 . 1 . 1 91 91 ARG CA C 13 60.4 0.3 . 1 . . . . . 92 ARG CA . 51849 1 399 . 1 . 1 91 91 ARG CB C 13 30.0 0.3 . 1 . . . . . 92 ARG CB . 51849 1 400 . 1 . 1 91 91 ARG N N 15 119.2 0.3 . 1 . . . . . 92 ARG N . 51849 1 401 . 1 . 1 92 92 GLU H H 1 8.20 0.03 . 1 . . . . . 93 GLU H . 51849 1 402 . 1 . 1 92 92 GLU HA H 1 4.02 0.03 . 1 . . . . . 93 GLU HA . 51849 1 403 . 1 . 1 92 92 GLU C C 13 178.2 0.3 . 1 . . . . . 93 GLU C . 51849 1 404 . 1 . 1 92 92 GLU CA C 13 59.1 0.3 . 1 . . . . . 93 GLU CA . 51849 1 405 . 1 . 1 92 92 GLU CB C 13 28.8 0.3 . 1 . . . . . 93 GLU CB . 51849 1 406 . 1 . 1 92 92 GLU N N 15 122.2 0.3 . 1 . . . . . 93 GLU N . 51849 1 407 . 1 . 1 93 93 LEU H H 1 7.55 0.03 . 1 . . . . . 94 LEU H . 51849 1 408 . 1 . 1 93 93 LEU HA H 1 4.21 0.03 . 1 . . . . . 94 LEU HA . 51849 1 409 . 1 . 1 93 93 LEU C C 13 177.4 0.3 . 1 . . . . . 94 LEU C . 51849 1 410 . 1 . 1 93 93 LEU CA C 13 55.4 0.3 . 1 . . . . . 94 LEU CA . 51849 1 411 . 1 . 1 93 93 LEU CB C 13 42.6 0.3 . 1 . . . . . 94 LEU CB . 51849 1 412 . 1 . 1 93 93 LEU N N 15 118.1 0.3 . 1 . . . . . 94 LEU N . 51849 1 413 . 1 . 1 94 94 GLY H H 1 7.80 0.03 . 1 . . . . . 95 GLY H . 51849 1 414 . 1 . 1 94 94 GLY C C 13 174.9 0.3 . 1 . . . . . 95 GLY C . 51849 1 415 . 1 . 1 94 94 GLY CA C 13 45.5 0.3 . 1 . . . . . 95 GLY CA . 51849 1 416 . 1 . 1 94 94 GLY N N 15 107.2 0.3 . 1 . . . . . 95 GLY N . 51849 1 417 . 1 . 1 95 95 VAL H H 1 7.76 0.03 . 1 . . . . . 96 VAL H . 51849 1 418 . 1 . 1 95 95 VAL HA H 1 4.05 0.03 . 1 . . . . . 96 VAL HA . 51849 1 419 . 1 . 1 95 95 VAL CA C 13 61.0 0.3 . 1 . . . . . 96 VAL CA . 51849 1 420 . 1 . 1 95 95 VAL CB C 13 32.1 0.3 . 1 . . . . . 96 VAL CB . 51849 1 421 . 1 . 1 95 95 VAL N N 15 123.7 0.3 . 1 . . . . . 96 VAL N . 51849 1 422 . 1 . 1 96 96 PRO HA H 1 4.37 0.03 . 1 . . . . . 97 PRO HA . 51849 1 423 . 1 . 1 96 96 PRO C C 13 178.1 0.3 . 1 . . . . . 97 PRO C . 51849 1 424 . 1 . 1 96 96 PRO CA C 13 63.1 0.3 . 1 . . . . . 97 PRO CA . 51849 1 425 . 1 . 1 96 96 PRO CB C 13 33.1 0.3 . 1 . . . . . 97 PRO CB . 51849 1 426 . 1 . 1 97 97 GLU H H 1 8.83 0.03 . 1 . . . . . 98 GLU H . 51849 1 427 . 1 . 1 97 97 GLU HA H 1 3.69 0.03 . 1 . . . . . 98 GLU HA . 51849 1 428 . 1 . 1 97 97 GLU C C 13 177.7 0.3 . 1 . . . . . 98 GLU C . 51849 1 429 . 1 . 1 97 97 GLU CA C 13 59.6 0.3 . 1 . . . . . 98 GLU CA . 51849 1 430 . 1 . 1 97 97 GLU CB C 13 29.5 0.3 . 1 . . . . . 98 GLU CB . 51849 1 431 . 1 . 1 97 97 GLU N N 15 123.4 0.3 . 1 . . . . . 98 GLU N . 51849 1 432 . 1 . 1 98 98 GLU H H 1 9.35 0.03 . 1 . . . . . 99 GLU H . 51849 1 433 . 1 . 1 98 98 GLU HA H 1 4.15 0.03 . 1 . . . . . 99 GLU HA . 51849 1 434 . 1 . 1 98 98 GLU C C 13 179.1 0.3 . 1 . . . . . 99 GLU C . 51849 1 435 . 1 . 1 98 98 GLU CA C 13 59.7 0.3 . 1 . . . . . 99 GLU CA . 51849 1 436 . 1 . 1 98 98 GLU CB C 13 28.4 0.3 . 1 . . . . . 99 GLU CB . 51849 1 437 . 1 . 1 98 98 GLU N N 15 116.0 0.3 . 1 . . . . . 99 GLU N . 51849 1 438 . 1 . 1 99 99 LEU H H 1 7.23 0.03 . 1 . . . . . 100 LEU H . 51849 1 439 . 1 . 1 99 99 LEU HA H 1 4.24 0.03 . 1 . . . . . 100 LEU HA . 51849 1 440 . 1 . 1 99 99 LEU C C 13 178.7 0.3 . 1 . . . . . 100 LEU C . 51849 1 441 . 1 . 1 99 99 LEU CA C 13 57.2 0.3 . 1 . . . . . 100 LEU CA . 51849 1 442 . 1 . 1 99 99 LEU CB C 13 41.3 0.3 . 1 . . . . . 100 LEU CB . 51849 1 443 . 1 . 1 99 99 LEU N N 15 119.3 0.3 . 1 . . . . . 100 LEU N . 51849 1 444 . 1 . 1 100 100 ILE H H 1 7.84 0.03 . 1 . . . . . 101 ILE H . 51849 1 445 . 1 . 1 100 100 ILE HA H 1 3.23 0.03 . 1 . . . . . 101 ILE HA . 51849 1 446 . 1 . 1 100 100 ILE C C 13 177.9 0.3 . 1 . . . . . 101 ILE C . 51849 1 447 . 1 . 1 100 100 ILE CA C 13 67.1 0.3 . 1 . . . . . 101 ILE CA . 51849 1 448 . 1 . 1 100 100 ILE CB C 13 36.7 0.3 . 1 . . . . . 101 ILE CB . 51849 1 449 . 1 . 1 100 100 ILE N N 15 121.9 0.3 . 1 . . . . . 101 ILE N . 51849 1 450 . 1 . 1 101 101 ASP H H 1 8.23 0.03 . 1 . . . . . 102 ASP H . 51849 1 451 . 1 . 1 101 101 ASP HA H 1 4.28 0.03 . 1 . . . . . 102 ASP HA . 51849 1 452 . 1 . 1 101 101 ASP C C 13 179.4 0.3 . 1 . . . . . 102 ASP C . 51849 1 453 . 1 . 1 101 101 ASP CA C 13 57.9 0.3 . 1 . . . . . 102 ASP CA . 51849 1 454 . 1 . 1 101 101 ASP CB C 13 40.2 0.3 . 1 . . . . . 102 ASP CB . 51849 1 455 . 1 . 1 101 101 ASP N N 15 117.9 0.3 . 1 . . . . . 102 ASP N . 51849 1 456 . 1 . 1 102 102 GLU H H 1 7.21 0.03 . 1 . . . . . 103 GLU H . 51849 1 457 . 1 . 1 102 102 GLU HA H 1 4.04 0.03 . 1 . . . . . 103 GLU HA . 51849 1 458 . 1 . 1 102 102 GLU C C 13 179.3 0.3 . 1 . . . . . 103 GLU C . 51849 1 459 . 1 . 1 102 102 GLU CA C 13 60.1 0.3 . 1 . . . . . 103 GLU CA . 51849 1 460 . 1 . 1 102 102 GLU CB C 13 30.5 0.3 . 1 . . . . . 103 GLU CB . 51849 1 461 . 1 . 1 102 102 GLU N N 15 119.8 0.3 . 1 . . . . . 103 GLU N . 51849 1 462 . 1 . 1 103 103 VAL H H 1 8.27 0.03 . 1 . . . . . 104 VAL H . 51849 1 463 . 1 . 1 103 103 VAL HA H 1 3.49 0.03 . 1 . . . . . 104 VAL HA . 51849 1 464 . 1 . 1 103 103 VAL C C 13 178.0 0.3 . 1 . . . . . 104 VAL C . 51849 1 465 . 1 . 1 103 103 VAL CA C 13 66.6 0.3 . 1 . . . . . 104 VAL CA . 51849 1 466 . 1 . 1 103 103 VAL N N 15 120.9 0.3 . 1 . . . . . 104 VAL N . 51849 1 467 . 1 . 1 104 104 LEU H H 1 8.76 0.03 . 1 . . . . . 105 LEU H . 51849 1 468 . 1 . 1 104 104 LEU HA H 1 3.85 0.03 . 1 . . . . . 105 LEU HA . 51849 1 469 . 1 . 1 104 104 LEU C C 13 179.4 0.3 . 1 . . . . . 105 LEU C . 51849 1 470 . 1 . 1 104 104 LEU CA C 13 57.1 0.3 . 1 . . . . . 105 LEU CA . 51849 1 471 . 1 . 1 104 104 LEU CB C 13 40.4 0.3 . 1 . . . . . 105 LEU CB . 51849 1 472 . 1 . 1 104 104 LEU N N 15 120.0 0.3 . 1 . . . . . 105 LEU N . 51849 1 473 . 1 . 1 105 105 ALA H H 1 7.75 0.03 . 1 . . . . . 106 ALA H . 51849 1 474 . 1 . 1 105 105 ALA HA H 1 4.17 0.03 . 1 . . . . . 106 ALA HA . 51849 1 475 . 1 . 1 105 105 ALA C C 13 181.0 0.3 . 1 . . . . . 106 ALA C . 51849 1 476 . 1 . 1 105 105 ALA CA C 13 55.1 0.3 . 1 . . . . . 106 ALA CA . 51849 1 477 . 1 . 1 105 105 ALA CB C 13 17.8 0.3 . 1 . . . . . 106 ALA CB . 51849 1 478 . 1 . 1 105 105 ALA N N 15 121.6 0.3 . 1 . . . . . 106 ALA N . 51849 1 479 . 1 . 1 106 106 ILE H H 1 7.66 0.03 . 1 . . . . . 107 ILE H . 51849 1 480 . 1 . 1 106 106 ILE HA H 1 3.82 0.03 . 1 . . . . . 107 ILE HA . 51849 1 481 . 1 . 1 106 106 ILE C C 13 179.2 0.3 . 1 . . . . . 107 ILE C . 51849 1 482 . 1 . 1 106 106 ILE CA C 13 64.5 0.3 . 1 . . . . . 107 ILE CA . 51849 1 483 . 1 . 1 106 106 ILE CB C 13 37.9 0.3 . 1 . . . . . 107 ILE CB . 51849 1 484 . 1 . 1 106 106 ILE N N 15 120.8 0.3 . 1 . . . . . 107 ILE N . 51849 1 485 . 1 . 1 107 107 VAL H H 1 8.46 0.03 . 1 . . . . . 108 VAL H . 51849 1 486 . 1 . 1 107 107 VAL HA H 1 3.56 0.03 . 1 . . . . . 108 VAL HA . 51849 1 487 . 1 . 1 107 107 VAL C C 13 177.5 0.3 . 1 . . . . . 108 VAL C . 51849 1 488 . 1 . 1 107 107 VAL CA C 13 67.3 0.3 . 1 . . . . . 108 VAL CA . 51849 1 489 . 1 . 1 107 107 VAL CB C 13 31.5 0.3 . 1 . . . . . 108 VAL CB . 51849 1 490 . 1 . 1 107 107 VAL N N 15 120.4 0.3 . 1 . . . . . 108 VAL N . 51849 1 491 . 1 . 1 108 108 ALA H H 1 8.47 0.03 . 1 . . . . . 109 ALA H . 51849 1 492 . 1 . 1 108 108 ALA HA H 1 4.00 0.03 . 1 . . . . . 109 ALA HA . 51849 1 493 . 1 . 1 108 108 ALA C C 13 180.0 0.3 . 1 . . . . . 109 ALA C . 51849 1 494 . 1 . 1 108 108 ALA CA C 13 55.2 0.3 . 1 . . . . . 109 ALA CA . 51849 1 495 . 1 . 1 108 108 ALA CB C 13 17.9 0.3 . 1 . . . . . 109 ALA CB . 51849 1 496 . 1 . 1 108 108 ALA N N 15 121.0 0.3 . 1 . . . . . 109 ALA N . 51849 1 497 . 1 . 1 109 109 SER H H 1 7.72 0.03 . 1 . . . . . 110 SER H . 51849 1 498 . 1 . 1 109 109 SER CA C 13 61.2 0.3 . 1 . . . . . 110 SER CA . 51849 1 499 . 1 . 1 109 109 SER CB C 13 63.1 0.3 . 1 . . . . . 110 SER CB . 51849 1 500 . 1 . 1 109 109 SER N N 15 114.1 0.3 . 1 . . . . . 110 SER N . 51849 1 501 . 1 . 1 115 115 LEU HA H 1 4.18 0.03 . 1 . . . . . 116 LEU HA . 51849 1 502 . 1 . 1 115 115 LEU C C 13 177.6 0.3 . 1 . . . . . 116 LEU C . 51849 1 503 . 1 . 1 115 115 LEU CA C 13 55.8 0.3 . 1 . . . . . 116 LEU CA . 51849 1 504 . 1 . 1 115 115 LEU CB C 13 41.7 0.3 . 1 . . . . . 116 LEU CB . 51849 1 505 . 1 . 1 115 115 LEU N N 15 119.1 0.3 . 1 . . . . . 116 LEU N . 51849 1 506 . 1 . 1 116 116 ASN H H 1 7.98 0.03 . 1 . . . . . 117 ASN H . 51849 1 507 . 1 . 1 116 116 ASN HA H 1 4.58 0.03 . 1 . . . . . 117 ASN HA . 51849 1 508 . 1 . 1 116 116 ASN C C 13 175.4 0.3 . 1 . . . . . 117 ASN C . 51849 1 509 . 1 . 1 116 116 ASN CA C 13 53.8 0.3 . 1 . . . . . 117 ASN CA . 51849 1 510 . 1 . 1 116 116 ASN CB C 13 38.5 0.3 . 1 . . . . . 117 ASN CB . 51849 1 511 . 1 . 1 116 116 ASN N N 15 117.0 0.3 . 1 . . . . . 117 ASN N . 51849 1 512 . 1 . 1 117 117 ARG H H 1 8.09 0.03 . 1 . . . . . 118 ARG H . 51849 1 513 . 1 . 1 117 117 ARG HA H 1 4.25 0.03 . 1 . . . . . 118 ARG HA . 51849 1 514 . 1 . 1 117 117 ARG C C 13 176.2 0.3 . 1 . . . . . 118 ARG C . 51849 1 515 . 1 . 1 117 117 ARG CA C 13 56.6 0.3 . 1 . . . . . 118 ARG CA . 51849 1 516 . 1 . 1 117 117 ARG CB C 13 30.7 0.3 . 1 . . . . . 118 ARG CB . 51849 1 517 . 1 . 1 117 117 ARG N N 15 119.7 0.3 . 1 . . . . . 118 ARG N . 51849 1 518 . 1 . 1 118 118 ASN H H 1 8.35 0.03 . 1 . . . . . 119 ASN H . 51849 1 519 . 1 . 1 118 118 ASN HA H 1 4.64 0.03 . 1 . . . . . 119 ASN HA . 51849 1 520 . 1 . 1 118 118 ASN C C 13 174.1 0.3 . 1 . . . . . 119 ASN C . 51849 1 521 . 1 . 1 118 118 ASN CA C 13 53.5 0.3 . 1 . . . . . 119 ASN CA . 51849 1 522 . 1 . 1 118 118 ASN CB C 13 38.7 0.3 . 1 . . . . . 119 ASN CB . 51849 1 523 . 1 . 1 118 118 ASN N N 15 119.0 0.3 . 1 . . . . . 119 ASN N . 51849 1 524 . 1 . 1 119 119 LYS H H 1 7.72 0.03 . 1 . . . . . 120 LYS H . 51849 1 525 . 1 . 1 119 119 LYS HA H 1 4.07 0.03 . 1 . . . . . 120 LYS HA . 51849 1 526 . 1 . 1 119 119 LYS CA C 13 57.8 0.3 . 1 . . . . . 120 LYS CA . 51849 1 527 . 1 . 1 119 119 LYS CB C 13 33.7 0.3 . 1 . . . . . 120 LYS CB . 51849 1 528 . 1 . 1 119 119 LYS N N 15 126.0 0.3 . 1 . . . . . 120 LYS N . 51849 1 stop_ save_