data_31311 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31311 _Entry.Title ; Solution NMR structure of de novo designed tau peptide binding protein TBPHF6-11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-08-30 _Entry.Accession_date 2026-08-30 _Entry.Last_release_date 2026-09-09 _Entry.Original_release_date 2026-09-09 _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 NMR' _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_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 A. McShan A. C. . . 31311 2 M. Simma M. K. . . 31311 3 H. Han H. L. . . 31311 4 D. Baker D. . . . 31311 5 D. Sahtoe D. . . . 31311 6 C. Liu C. . . . 31311 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 31311 amyloid . 31311 tau . 31311 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31311 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 31311 '15N chemical shifts' 114 31311 '1H chemical shifts' 114 31311 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-09-18 . original BMRB . 31311 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 38JM 'BMRB Entry Tracking System' 31311 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31311 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Designed Binders Target Tau for Therapeutic Modulation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 A. McShan A. C. . . 31311 1 2 M. Simma M. K. . . 31311 1 3 D. Baker D. . . . 31311 1 4 H. Han H. L. . . 31311 1 5 D. Sahtoe D. . . . 31311 1 6 C. Liu C. . . . 31311 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31311 _Assembly.ID 1 _Assembly.Name 'Tau peptide binding protein TBPHF6-11' _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 unit_1 1 $entity_1 A X yes . . . . . . 31311 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31311 _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 X _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGLTPTQREVAALLRRRVE ELAERLRREAGIRAEVAEFR VVGGDAEVLLRLDDATWARI AALLAEGTPLEDIPEIREFF DIAIPFIQEVFFEEVKALGH AELEGAQVVIRMYDGDPRDN PPLASRVLTLPPGSHHHHHH ; _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 140 _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 15749.876 _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 . MET . 31311 1 2 . SER . 31311 1 3 . GLY . 31311 1 4 . LEU . 31311 1 5 . THR . 31311 1 6 . PRO . 31311 1 7 . THR . 31311 1 8 . GLN . 31311 1 9 . ARG . 31311 1 10 . GLU . 31311 1 11 . VAL . 31311 1 12 . ALA . 31311 1 13 . ALA . 31311 1 14 . LEU . 31311 1 15 . LEU . 31311 1 16 . ARG . 31311 1 17 . ARG . 31311 1 18 . ARG . 31311 1 19 . VAL . 31311 1 20 . GLU . 31311 1 21 . GLU . 31311 1 22 . LEU . 31311 1 23 . ALA . 31311 1 24 . GLU . 31311 1 25 . ARG . 31311 1 26 . LEU . 31311 1 27 . ARG . 31311 1 28 . ARG . 31311 1 29 . GLU . 31311 1 30 . ALA . 31311 1 31 . GLY . 31311 1 32 . ILE . 31311 1 33 . ARG . 31311 1 34 . ALA . 31311 1 35 . GLU . 31311 1 36 . VAL . 31311 1 37 . ALA . 31311 1 38 . GLU . 31311 1 39 . PHE . 31311 1 40 . ARG . 31311 1 41 . VAL . 31311 1 42 . VAL . 31311 1 43 . GLY . 31311 1 44 . GLY . 31311 1 45 . ASP . 31311 1 46 . ALA . 31311 1 47 . GLU . 31311 1 48 . VAL . 31311 1 49 . LEU . 31311 1 50 . LEU . 31311 1 51 . ARG . 31311 1 52 . LEU . 31311 1 53 . ASP . 31311 1 54 . ASP . 31311 1 55 . ALA . 31311 1 56 . THR . 31311 1 57 . TRP . 31311 1 58 . ALA . 31311 1 59 . ARG . 31311 1 60 . ILE . 31311 1 61 . ALA . 31311 1 62 . ALA . 31311 1 63 . LEU . 31311 1 64 . LEU . 31311 1 65 . ALA . 31311 1 66 . GLU . 31311 1 67 . GLY . 31311 1 68 . THR . 31311 1 69 . PRO . 31311 1 70 . LEU . 31311 1 71 . GLU . 31311 1 72 . ASP . 31311 1 73 . ILE . 31311 1 74 . PRO . 31311 1 75 . GLU . 31311 1 76 . ILE . 31311 1 77 . ARG . 31311 1 78 . GLU . 31311 1 79 . PHE . 31311 1 80 . PHE . 31311 1 81 . ASP . 31311 1 82 . ILE . 31311 1 83 . ALA . 31311 1 84 . ILE . 31311 1 85 . PRO . 31311 1 86 . PHE . 31311 1 87 . ILE . 31311 1 88 . GLN . 31311 1 89 . GLU . 31311 1 90 . VAL . 31311 1 91 . PHE . 31311 1 92 . PHE . 31311 1 93 . GLU . 31311 1 94 . GLU . 31311 1 95 . VAL . 31311 1 96 . LYS . 31311 1 97 . ALA . 31311 1 98 . LEU . 31311 1 99 . GLY . 31311 1 100 . HIS . 31311 1 101 . ALA . 31311 1 102 . GLU . 31311 1 103 . LEU . 31311 1 104 . GLU . 31311 1 105 . GLY . 31311 1 106 . ALA . 31311 1 107 . GLN . 31311 1 108 . VAL . 31311 1 109 . VAL . 31311 1 110 . ILE . 31311 1 111 . ARG . 31311 1 112 . MET . 31311 1 113 . TYR . 31311 1 114 . ASP . 31311 1 115 . GLY . 31311 1 116 . ASP . 31311 1 117 . PRO . 31311 1 118 . ARG . 31311 1 119 . ASP . 31311 1 120 . ASN . 31311 1 121 . PRO . 31311 1 122 . PRO . 31311 1 123 . LEU . 31311 1 124 . ALA . 31311 1 125 . SER . 31311 1 126 . ARG . 31311 1 127 . VAL . 31311 1 128 . LEU . 31311 1 129 . THR . 31311 1 130 . LEU . 31311 1 131 . PRO . 31311 1 132 . PRO . 31311 1 133 . GLY . 31311 1 134 . SER . 31311 1 135 . HIS . 31311 1 136 . HIS . 31311 1 137 . HIS . 31311 1 138 . HIS . 31311 1 139 . HIS . 31311 1 140 . HIS . 31311 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31311 1 . SER 2 2 31311 1 . GLY 3 3 31311 1 . LEU 4 4 31311 1 . THR 5 5 31311 1 . PRO 6 6 31311 1 . THR 7 7 31311 1 . GLN 8 8 31311 1 . ARG 9 9 31311 1 . GLU 10 10 31311 1 . VAL 11 11 31311 1 . ALA 12 12 31311 1 . ALA 13 13 31311 1 . LEU 14 14 31311 1 . LEU 15 15 31311 1 . ARG 16 16 31311 1 . ARG 17 17 31311 1 . ARG 18 18 31311 1 . VAL 19 19 31311 1 . GLU 20 20 31311 1 . GLU 21 21 31311 1 . LEU 22 22 31311 1 . ALA 23 23 31311 1 . GLU 24 24 31311 1 . ARG 25 25 31311 1 . LEU 26 26 31311 1 . ARG 27 27 31311 1 . ARG 28 28 31311 1 . GLU 29 29 31311 1 . ALA 30 30 31311 1 . GLY 31 31 31311 1 . ILE 32 32 31311 1 . ARG 33 33 31311 1 . ALA 34 34 31311 1 . GLU 35 35 31311 1 . VAL 36 36 31311 1 . ALA 37 37 31311 1 . GLU 38 38 31311 1 . PHE 39 39 31311 1 . ARG 40 40 31311 1 . VAL 41 41 31311 1 . VAL 42 42 31311 1 . GLY 43 43 31311 1 . GLY 44 44 31311 1 . ASP 45 45 31311 1 . ALA 46 46 31311 1 . GLU 47 47 31311 1 . VAL 48 48 31311 1 . LEU 49 49 31311 1 . LEU 50 50 31311 1 . ARG 51 51 31311 1 . LEU 52 52 31311 1 . ASP 53 53 31311 1 . ASP 54 54 31311 1 . ALA 55 55 31311 1 . THR 56 56 31311 1 . TRP 57 57 31311 1 . ALA 58 58 31311 1 . ARG 59 59 31311 1 . ILE 60 60 31311 1 . ALA 61 61 31311 1 . ALA 62 62 31311 1 . LEU 63 63 31311 1 . LEU 64 64 31311 1 . ALA 65 65 31311 1 . GLU 66 66 31311 1 . GLY 67 67 31311 1 . THR 68 68 31311 1 . PRO 69 69 31311 1 . LEU 70 70 31311 1 . GLU 71 71 31311 1 . ASP 72 72 31311 1 . ILE 73 73 31311 1 . PRO 74 74 31311 1 . GLU 75 75 31311 1 . ILE 76 76 31311 1 . ARG 77 77 31311 1 . GLU 78 78 31311 1 . PHE 79 79 31311 1 . PHE 80 80 31311 1 . ASP 81 81 31311 1 . ILE 82 82 31311 1 . ALA 83 83 31311 1 . ILE 84 84 31311 1 . PRO 85 85 31311 1 . PHE 86 86 31311 1 . ILE 87 87 31311 1 . GLN 88 88 31311 1 . GLU 89 89 31311 1 . VAL 90 90 31311 1 . PHE 91 91 31311 1 . PHE 92 92 31311 1 . GLU 93 93 31311 1 . GLU 94 94 31311 1 . VAL 95 95 31311 1 . LYS 96 96 31311 1 . ALA 97 97 31311 1 . LEU 98 98 31311 1 . GLY 99 99 31311 1 . HIS 100 100 31311 1 . ALA 101 101 31311 1 . GLU 102 102 31311 1 . LEU 103 103 31311 1 . GLU 104 104 31311 1 . GLY 105 105 31311 1 . ALA 106 106 31311 1 . GLN 107 107 31311 1 . VAL 108 108 31311 1 . VAL 109 109 31311 1 . ILE 110 110 31311 1 . ARG 111 111 31311 1 . MET 112 112 31311 1 . TYR 113 113 31311 1 . ASP 114 114 31311 1 . GLY 115 115 31311 1 . ASP 116 116 31311 1 . PRO 117 117 31311 1 . ARG 118 118 31311 1 . ASP 119 119 31311 1 . ASN 120 120 31311 1 . PRO 121 121 31311 1 . PRO 122 122 31311 1 . LEU 123 123 31311 1 . ALA 124 124 31311 1 . SER 125 125 31311 1 . ARG 126 126 31311 1 . VAL 127 127 31311 1 . LEU 128 128 31311 1 . THR 129 129 31311 1 . LEU 130 130 31311 1 . PRO 131 131 31311 1 . PRO 132 132 31311 1 . GLY 133 133 31311 1 . SER 134 134 31311 1 . HIS 135 135 31311 1 . HIS 136 136 31311 1 . HIS 137 137 31311 1 . HIS 138 138 31311 1 . HIS 139 139 31311 1 . HIS 140 140 31311 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 31311 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 31311 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 31311 _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' . . 562 Escherichia coli . . . . . . . . . . 31311 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31311 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '590 uM [U-100% 13C; U-100% 15N] TBPHF6-11, 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 TBPHF6-11 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 590 . . uM . . . . 31311 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 31311 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 31311 1 pH 6.5 . pH 31311 1 pressure 1 . atm 31311 1 temperature 298 . K 31311 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31311 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Markley' . . 31311 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31311 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31311 _Software.ID 2 _Software.Type . _Software.Name Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'DiMaio, Leaver-Fay, Bradley, Baker and Andre' . . 31311 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31311 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31311 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31311 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31311 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31311 _Software.ID 4 _Software.Type . _Software.Name GROMACS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Lindahl . . 31311 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31311 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31311 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 31311 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 III HD' . 800 . . . 31311 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 31311 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31311 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31311 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31311 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31311 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31311 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31311 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 31311 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.251449530 . . . . . 31311 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31311 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31311 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 31311 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' . . . 31311 1 2 '3D HNCA' . . . 31311 1 3 '3D HNCACB' . . . 31311 1 4 '3D HNCO' . . . 31311 1 5 '3D CBCA(CO)NH' . . . 31311 1 6 '3D 1H-15N NOESY' . . . 31311 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 3 3 GLY C C 13 173.492 . . 1 . . . . X 3 GLY C . 31311 1 2 . 1 . 1 3 3 GLY CA C 13 45.217 . . 1 . . . . X 3 GLY CA . 31311 1 3 . 1 . 1 4 4 LEU H H 1 8.182 . . 1 . . . . X 4 LEU H . 31311 1 4 . 1 . 1 4 4 LEU C C 13 178.268 . . 1 . . . . X 4 LEU C . 31311 1 5 . 1 . 1 4 4 LEU CA C 13 55.027 . . 1 . . . . X 4 LEU CA . 31311 1 6 . 1 . 1 4 4 LEU CB C 13 43.031 . . 1 . . . . X 4 LEU CB . 31311 1 7 . 1 . 1 4 4 LEU N N 15 120.929 . . 1 . . . . X 4 LEU N . 31311 1 8 . 1 . 1 5 5 THR H H 1 8.508 . . 1 . . . . X 5 THR H . 31311 1 9 . 1 . 1 5 5 THR CA C 13 60.438 . . 1 . . . . X 5 THR CA . 31311 1 10 . 1 . 1 5 5 THR CB C 13 68.041 . . 1 . . . . X 5 THR CB . 31311 1 11 . 1 . 1 5 5 THR N N 15 115.663 . . 1 . . . . X 5 THR N . 31311 1 12 . 1 . 1 6 6 PRO C C 13 179.417 . . 1 . . . . X 6 PRO C . 31311 1 13 . 1 . 1 6 6 PRO CA C 13 66.327 . . 1 . . . . X 6 PRO CA . 31311 1 14 . 1 . 1 6 6 PRO CB C 13 31.933 . . 1 . . . . X 6 PRO CB . 31311 1 15 . 1 . 1 7 7 THR H H 1 8.045 . . 1 . . . . X 7 THR H . 31311 1 16 . 1 . 1 7 7 THR C C 13 176.522 . . 1 . . . . X 7 THR C . 31311 1 17 . 1 . 1 7 7 THR CA C 13 65.637 . . 1 . . . . X 7 THR CA . 31311 1 18 . 1 . 1 7 7 THR CB C 13 68.479 . . 1 . . . . X 7 THR CB . 31311 1 19 . 1 . 1 7 7 THR N N 15 111.919 . . 1 . . . . X 7 THR N . 31311 1 20 . 1 . 1 8 8 GLN H H 1 7.648 . . 1 . . . . X 8 GLN H . 31311 1 21 . 1 . 1 8 8 GLN C C 13 179.278 . . 1 . . . . X 8 GLN C . 31311 1 22 . 1 . 1 8 8 GLN CA C 13 58.682 . . 1 . . . . X 8 GLN CA . 31311 1 23 . 1 . 1 8 8 GLN CB C 13 28.487 . . 1 . . . . X 8 GLN CB . 31311 1 24 . 1 . 1 8 8 GLN N N 15 121.517 . . 1 . . . . X 8 GLN N . 31311 1 25 . 1 . 1 9 9 ARG H H 1 8.762 . . 1 . . . . X 9 ARG H . 31311 1 26 . 1 . 1 9 9 ARG C C 13 179.228 . . 1 . . . . X 9 ARG C . 31311 1 27 . 1 . 1 9 9 ARG CA C 13 59.829 . . 1 . . . . X 9 ARG CA . 31311 1 28 . 1 . 1 9 9 ARG CB C 13 29.923 . . 1 . . . . X 9 ARG CB . 31311 1 29 . 1 . 1 9 9 ARG N N 15 119.460 . . 1 . . . . X 9 ARG N . 31311 1 30 . 1 . 1 10 10 GLU H H 1 7.839 . . 1 . . . . X 10 GLU H . 31311 1 31 . 1 . 1 10 10 GLU C C 13 179.718 . . 1 . . . . X 10 GLU C . 31311 1 32 . 1 . 1 10 10 GLU CA C 13 59.375 . . 1 . . . . X 10 GLU CA . 31311 1 33 . 1 . 1 10 10 GLU CB C 13 29.411 . . 1 . . . . X 10 GLU CB . 31311 1 34 . 1 . 1 10 10 GLU N N 15 120.779 . . 1 . . . . X 10 GLU N . 31311 1 35 . 1 . 1 11 11 VAL H H 1 7.935 . . 1 . . . . X 11 VAL H . 31311 1 36 . 1 . 1 11 11 VAL C C 13 177.389 . . 1 . . . . X 11 VAL C . 31311 1 37 . 1 . 1 11 11 VAL CA C 13 66.960 . . 1 . . . . X 11 VAL CA . 31311 1 38 . 1 . 1 11 11 VAL CB C 13 31.077 . . 1 . . . . X 11 VAL CB . 31311 1 39 . 1 . 1 11 11 VAL N N 15 121.645 . . 1 . . . . X 11 VAL N . 31311 1 40 . 1 . 1 12 12 ALA H H 1 8.383 . . 1 . . . . X 12 ALA H . 31311 1 41 . 1 . 1 12 12 ALA C C 13 178.601 . . 1 . . . . X 12 ALA C . 31311 1 42 . 1 . 1 12 12 ALA CA C 13 55.533 . . 1 . . . . X 12 ALA CA . 31311 1 43 . 1 . 1 12 12 ALA CB C 13 18.207 . . 1 . . . . X 12 ALA CB . 31311 1 44 . 1 . 1 12 12 ALA N N 15 122.384 . . 1 . . . . X 12 ALA N . 31311 1 45 . 1 . 1 13 13 ALA H H 1 7.872 . . 1 . . . . X 13 ALA H . 31311 1 46 . 1 . 1 13 13 ALA C C 13 180.620 . . 1 . . . . X 13 ALA C . 31311 1 47 . 1 . 1 13 13 ALA CA C 13 54.907 . . 1 . . . . X 13 ALA CA . 31311 1 48 . 1 . 1 13 13 ALA CB C 13 18.027 . . 1 . . . . X 13 ALA CB . 31311 1 49 . 1 . 1 13 13 ALA N N 15 118.908 . . 1 . . . . X 13 ALA N . 31311 1 50 . 1 . 1 14 14 LEU H H 1 7.883 . . 1 . . . . X 14 LEU H . 31311 1 51 . 1 . 1 14 14 LEU C C 13 178.692 . . 1 . . . . X 14 LEU C . 31311 1 52 . 1 . 1 14 14 LEU CA C 13 57.931 . . 1 . . . . X 14 LEU CA . 31311 1 53 . 1 . 1 14 14 LEU CB C 13 41.771 . . 1 . . . . X 14 LEU CB . 31311 1 54 . 1 . 1 14 14 LEU N N 15 121.603 . . 1 . . . . X 14 LEU N . 31311 1 55 . 1 . 1 15 15 LEU H H 1 8.612 . . 1 . . . . X 15 LEU H . 31311 1 56 . 1 . 1 15 15 LEU C C 13 178.045 . . 1 . . . . X 15 LEU C . 31311 1 57 . 1 . 1 15 15 LEU CA C 13 58.041 . . 1 . . . . X 15 LEU CA . 31311 1 58 . 1 . 1 15 15 LEU CB C 13 40.508 . . 1 . . . . X 15 LEU CB . 31311 1 59 . 1 . 1 15 15 LEU N N 15 120.170 . . 1 . . . . X 15 LEU N . 31311 1 60 . 1 . 1 16 16 ARG H H 1 7.856 . . 1 . . . . X 16 ARG H . 31311 1 61 . 1 . 1 16 16 ARG C C 13 177.988 . . 1 . . . . X 16 ARG C . 31311 1 62 . 1 . 1 16 16 ARG CA C 13 59.972 . . 1 . . . . X 16 ARG CA . 31311 1 63 . 1 . 1 16 16 ARG CB C 13 28.775 . . 1 . . . . X 16 ARG CB . 31311 1 64 . 1 . 1 16 16 ARG N N 15 117.595 . . 1 . . . . X 16 ARG N . 31311 1 65 . 1 . 1 17 17 ARG H H 1 7.626 . . 1 . . . . X 17 ARG H . 31311 1 66 . 1 . 1 17 17 ARG C C 13 179.776 . . 1 . . . . X 17 ARG C . 31311 1 67 . 1 . 1 17 17 ARG CA C 13 59.172 . . 1 . . . . X 17 ARG CA . 31311 1 68 . 1 . 1 17 17 ARG CB C 13 30.204 . . 1 . . . . X 17 ARG CB . 31311 1 69 . 1 . 1 17 17 ARG N N 15 117.506 . . 1 . . . . X 17 ARG N . 31311 1 70 . 1 . 1 18 18 ARG H H 1 8.788 . . 1 . . . . X 18 ARG H . 31311 1 71 . 1 . 1 18 18 ARG C C 13 179.094 . . 1 . . . . X 18 ARG C . 31311 1 72 . 1 . 1 18 18 ARG CA C 13 57.100 . . 1 . . . . X 18 ARG CA . 31311 1 73 . 1 . 1 18 18 ARG CB C 13 28.774 . . 1 . . . . X 18 ARG CB . 31311 1 74 . 1 . 1 18 18 ARG N N 15 117.530 . . 1 . . . . X 18 ARG N . 31311 1 75 . 1 . 1 19 19 VAL H H 1 8.967 . . 1 . . . . X 19 VAL H . 31311 1 76 . 1 . 1 19 19 VAL C C 13 177.161 . . 1 . . . . X 19 VAL C . 31311 1 77 . 1 . 1 19 19 VAL CA C 13 66.667 . . 1 . . . . X 19 VAL CA . 31311 1 78 . 1 . 1 19 19 VAL CB C 13 30.659 . . 1 . . . . X 19 VAL CB . 31311 1 79 . 1 . 1 19 19 VAL N N 15 120.067 . . 1 . . . . X 19 VAL N . 31311 1 80 . 1 . 1 20 20 GLU H H 1 7.783 . . 1 . . . . X 20 GLU H . 31311 1 81 . 1 . 1 20 20 GLU C C 13 179.667 . . 1 . . . . X 20 GLU C . 31311 1 82 . 1 . 1 20 20 GLU CA C 13 60.022 . . 1 . . . . X 20 GLU CA . 31311 1 83 . 1 . 1 20 20 GLU CB C 13 28.901 . . 1 . . . . X 20 GLU CB . 31311 1 84 . 1 . 1 20 20 GLU N N 15 120.993 . . 1 . . . . X 20 GLU N . 31311 1 85 . 1 . 1 21 21 GLU H H 1 7.556 . . 1 . . . . X 21 GLU H . 31311 1 86 . 1 . 1 21 21 GLU C C 13 179.364 . . 1 . . . . X 21 GLU C . 31311 1 87 . 1 . 1 21 21 GLU CA C 13 59.076 . . 1 . . . . X 21 GLU CA . 31311 1 88 . 1 . 1 21 21 GLU CB C 13 29.213 . . 1 . . . . X 21 GLU CB . 31311 1 89 . 1 . 1 21 21 GLU N N 15 120.616 . . 1 . . . . X 21 GLU N . 31311 1 90 . 1 . 1 22 22 LEU H H 1 8.181 . . 1 . . . . X 22 LEU H . 31311 1 91 . 1 . 1 22 22 LEU C C 13 177.499 . . 1 . . . . X 22 LEU C . 31311 1 92 . 1 . 1 22 22 LEU CA C 13 57.702 . . 1 . . . . X 22 LEU CA . 31311 1 93 . 1 . 1 22 22 LEU CB C 13 40.057 . . 1 . . . . X 22 LEU CB . 31311 1 94 . 1 . 1 22 22 LEU N N 15 122.886 . . 1 . . . . X 22 LEU N . 31311 1 95 . 1 . 1 23 23 ALA H H 1 8.345 . . 1 . . . . X 23 ALA H . 31311 1 96 . 1 . 1 23 23 ALA C C 13 180.028 . . 1 . . . . X 23 ALA C . 31311 1 97 . 1 . 1 23 23 ALA CA C 13 55.727 . . 1 . . . . X 23 ALA CA . 31311 1 98 . 1 . 1 23 23 ALA CB C 13 16.869 . . 1 . . . . X 23 ALA CB . 31311 1 99 . 1 . 1 23 23 ALA N N 15 120.607 . . 1 . . . . X 23 ALA N . 31311 1 100 . 1 . 1 24 24 GLU H H 1 7.596 . . 1 . . . . X 24 GLU H . 31311 1 101 . 1 . 1 24 24 GLU C C 13 178.374 . . 1 . . . . X 24 GLU C . 31311 1 102 . 1 . 1 24 24 GLU CA C 13 59.468 . . 1 . . . . X 24 GLU CA . 31311 1 103 . 1 . 1 24 24 GLU CB C 13 28.916 . . 1 . . . . X 24 GLU CB . 31311 1 104 . 1 . 1 24 24 GLU N N 15 119.637 . . 1 . . . . X 24 GLU N . 31311 1 105 . 1 . 1 25 25 ARG H H 1 8.020 . . 1 . . . . X 25 ARG H . 31311 1 106 . 1 . 1 25 25 ARG C C 13 178.763 . . 1 . . . . X 25 ARG C . 31311 1 107 . 1 . 1 25 25 ARG CA C 13 60.111 . . 1 . . . . X 25 ARG CA . 31311 1 108 . 1 . 1 25 25 ARG CB C 13 29.926 . . 1 . . . . X 25 ARG CB . 31311 1 109 . 1 . 1 25 25 ARG N N 15 120.515 . . 1 . . . . X 25 ARG N . 31311 1 110 . 1 . 1 26 26 LEU H H 1 8.605 . . 1 . . . . X 26 LEU H . 31311 1 111 . 1 . 1 26 26 LEU C C 13 179.300 . . 1 . . . . X 26 LEU C . 31311 1 112 . 1 . 1 26 26 LEU CA C 13 58.209 . . 1 . . . . X 26 LEU CA . 31311 1 113 . 1 . 1 26 26 LEU CB C 13 41.611 . . 1 . . . . X 26 LEU CB . 31311 1 114 . 1 . 1 26 26 LEU N N 15 118.616 . . 1 . . . . X 26 LEU N . 31311 1 115 . 1 . 1 27 27 ARG H H 1 7.651 . . 1 . . . . X 27 ARG H . 31311 1 116 . 1 . 1 27 27 ARG C C 13 178.999 . . 1 . . . . X 27 ARG C . 31311 1 117 . 1 . 1 27 27 ARG CA C 13 59.894 . . 1 . . . . X 27 ARG CA . 31311 1 118 . 1 . 1 27 27 ARG CB C 13 30.356 . . 1 . . . . X 27 ARG CB . 31311 1 119 . 1 . 1 27 27 ARG N N 15 120.321 . . 1 . . . . X 27 ARG N . 31311 1 120 . 1 . 1 28 28 ARG H H 1 8.283 . . 1 . . . . X 28 ARG H . 31311 1 121 . 1 . 1 28 28 ARG C C 13 178.266 . . 1 . . . . X 28 ARG C . 31311 1 122 . 1 . 1 28 28 ARG CA C 13 59.304 . . 1 . . . . X 28 ARG CA . 31311 1 123 . 1 . 1 28 28 ARG CB C 13 31.313 . . 1 . . . . X 28 ARG CB . 31311 1 124 . 1 . 1 28 28 ARG N N 15 118.835 . . 1 . . . . X 28 ARG N . 31311 1 125 . 1 . 1 29 29 GLU H H 1 8.809 . . 1 . . . . X 29 GLU H . 31311 1 126 . 1 . 1 29 29 GLU C C 13 177.539 . . 1 . . . . X 29 GLU C . 31311 1 127 . 1 . 1 29 29 GLU CA C 13 57.709 . . 1 . . . . X 29 GLU CA . 31311 1 128 . 1 . 1 29 29 GLU CB C 13 30.343 . . 1 . . . . X 29 GLU CB . 31311 1 129 . 1 . 1 29 29 GLU N N 15 114.637 . . 1 . . . . X 29 GLU N . 31311 1 130 . 1 . 1 30 30 ALA H H 1 7.247 . . 1 . . . . X 30 ALA H . 31311 1 131 . 1 . 1 30 30 ALA C C 13 177.169 . . 1 . . . . X 30 ALA C . 31311 1 132 . 1 . 1 30 30 ALA CA C 13 51.389 . . 1 . . . . X 30 ALA CA . 31311 1 133 . 1 . 1 30 30 ALA CB C 13 21.146 . . 1 . . . . X 30 ALA CB . 31311 1 134 . 1 . 1 30 30 ALA N N 15 117.853 . . 1 . . . . X 30 ALA N . 31311 1 135 . 1 . 1 31 31 GLY H H 1 7.582 . . 1 . . . . X 31 GLY H . 31311 1 136 . 1 . 1 31 31 GLY C C 13 174.044 . . 1 . . . . X 31 GLY C . 31311 1 137 . 1 . 1 31 31 GLY CA C 13 46.462 . . 1 . . . . X 31 GLY CA . 31311 1 138 . 1 . 1 31 31 GLY N N 15 108.307 . . 1 . . . . X 31 GLY N . 31311 1 139 . 1 . 1 32 32 ILE H H 1 7.339 . . 1 . . . . X 32 ILE H . 31311 1 140 . 1 . 1 32 32 ILE C C 13 174.370 . . 1 . . . . X 32 ILE C . 31311 1 141 . 1 . 1 32 32 ILE CA C 13 60.818 . . 1 . . . . X 32 ILE CA . 31311 1 142 . 1 . 1 32 32 ILE CB C 13 40.461 . . 1 . . . . X 32 ILE CB . 31311 1 143 . 1 . 1 32 32 ILE N N 15 121.347 . . 1 . . . . X 32 ILE N . 31311 1 144 . 1 . 1 33 33 ARG H H 1 8.183 . . 1 . . . . X 33 ARG H . 31311 1 145 . 1 . 1 33 33 ARG C C 13 173.793 . . 1 . . . . X 33 ARG C . 31311 1 146 . 1 . 1 33 33 ARG CA C 13 55.591 . . 1 . . . . X 33 ARG CA . 31311 1 147 . 1 . 1 33 33 ARG CB C 13 30.073 . . 1 . . . . X 33 ARG CB . 31311 1 148 . 1 . 1 33 33 ARG N N 15 127.694 . . 1 . . . . X 33 ARG N . 31311 1 149 . 1 . 1 34 34 ALA H H 1 8.546 . . 1 . . . . X 34 ALA H . 31311 1 150 . 1 . 1 34 34 ALA C C 13 175.391 . . 1 . . . . X 34 ALA C . 31311 1 151 . 1 . 1 34 34 ALA CA C 13 50.004 . . 1 . . . . X 34 ALA CA . 31311 1 152 . 1 . 1 34 34 ALA CB C 13 21.930 . . 1 . . . . X 34 ALA CB . 31311 1 153 . 1 . 1 34 34 ALA N N 15 127.368 . . 1 . . . . X 34 ALA N . 31311 1 154 . 1 . 1 35 35 GLU H H 1 8.288 . . 1 . . . . X 35 GLU H . 31311 1 155 . 1 . 1 35 35 GLU C C 13 175.950 . . 1 . . . . X 35 GLU C . 31311 1 156 . 1 . 1 35 35 GLU CA C 13 54.206 . . 1 . . . . X 35 GLU CA . 31311 1 157 . 1 . 1 35 35 GLU CB C 13 33.121 . . 1 . . . . X 35 GLU CB . 31311 1 158 . 1 . 1 35 35 GLU N N 15 118.733 . . 1 . . . . X 35 GLU N . 31311 1 159 . 1 . 1 36 36 VAL H H 1 9.201 . . 1 . . . . X 36 VAL H . 31311 1 160 . 1 . 1 36 36 VAL C C 13 175.087 . . 1 . . . . X 36 VAL C . 31311 1 161 . 1 . 1 36 36 VAL CA C 13 64.231 . . 1 . . . . X 36 VAL CA . 31311 1 162 . 1 . 1 36 36 VAL CB C 13 31.066 . . 1 . . . . X 36 VAL CB . 31311 1 163 . 1 . 1 36 36 VAL N N 15 124.915 . . 1 . . . . X 36 VAL N . 31311 1 164 . 1 . 1 37 37 ALA H H 1 9.221 . . 1 . . . . X 37 ALA H . 31311 1 165 . 1 . 1 37 37 ALA C C 13 177.190 . . 1 . . . . X 37 ALA C . 31311 1 166 . 1 . 1 37 37 ALA CA C 13 52.796 . . 1 . . . . X 37 ALA CA . 31311 1 167 . 1 . 1 37 37 ALA CB C 13 21.247 . . 1 . . . . X 37 ALA CB . 31311 1 168 . 1 . 1 37 37 ALA N N 15 133.000 . . 1 . . . . X 37 ALA N . 31311 1 169 . 1 . 1 38 38 GLU H H 1 7.737 . . 1 . . . . X 38 GLU H . 31311 1 170 . 1 . 1 38 38 GLU C C 13 173.885 . . 1 . . . . X 38 GLU C . 31311 1 171 . 1 . 1 38 38 GLU CA C 13 55.794 . . 1 . . . . X 38 GLU CA . 31311 1 172 . 1 . 1 38 38 GLU CB C 13 33.636 . . 1 . . . . X 38 GLU CB . 31311 1 173 . 1 . 1 38 38 GLU N N 15 114.761 . . 1 . . . . X 38 GLU N . 31311 1 174 . 1 . 1 39 39 PHE H H 1 8.589 . . 1 . . . . X 39 PHE H . 31311 1 175 . 1 . 1 39 39 PHE C C 13 173.868 . . 1 . . . . X 39 PHE C . 31311 1 176 . 1 . 1 39 39 PHE CA C 13 56.419 . . 1 . . . . X 39 PHE CA . 31311 1 177 . 1 . 1 39 39 PHE CB C 13 41.726 . . 1 . . . . X 39 PHE CB . 31311 1 178 . 1 . 1 39 39 PHE N N 15 123.328 . . 1 . . . . X 39 PHE N . 31311 1 179 . 1 . 1 40 40 ARG H H 1 8.765 . . 1 . . . . X 40 ARG H . 31311 1 180 . 1 . 1 40 40 ARG C C 13 173.220 . . 1 . . . . X 40 ARG C . 31311 1 181 . 1 . 1 40 40 ARG CA C 13 54.864 . . 1 . . . . X 40 ARG CA . 31311 1 182 . 1 . 1 40 40 ARG CB C 13 33.514 . . 1 . . . . X 40 ARG CB . 31311 1 183 . 1 . 1 40 40 ARG N N 15 125.606 . . 1 . . . . X 40 ARG N . 31311 1 184 . 1 . 1 41 41 VAL H H 1 8.339 . . 1 . . . . X 41 VAL H . 31311 1 185 . 1 . 1 41 41 VAL C C 13 175.692 . . 1 . . . . X 41 VAL C . 31311 1 186 . 1 . 1 41 41 VAL CA C 13 61.551 . . 1 . . . . X 41 VAL CA . 31311 1 187 . 1 . 1 41 41 VAL CB C 13 32.539 . . 1 . . . . X 41 VAL CB . 31311 1 188 . 1 . 1 41 41 VAL N N 15 122.358 . . 1 . . . . X 41 VAL N . 31311 1 189 . 1 . 1 42 42 VAL H H 1 8.504 . . 1 . . . . X 42 VAL H . 31311 1 190 . 1 . 1 42 42 VAL C C 13 176.226 . . 1 . . . . X 42 VAL C . 31311 1 191 . 1 . 1 42 42 VAL CA C 13 60.962 . . 1 . . . . X 42 VAL CA . 31311 1 192 . 1 . 1 42 42 VAL CB C 13 33.571 . . 1 . . . . X 42 VAL CB . 31311 1 193 . 1 . 1 42 42 VAL N N 15 127.338 . . 1 . . . . X 42 VAL N . 31311 1 194 . 1 . 1 43 43 GLY H H 1 8.901 . . 1 . . . . X 43 GLY H . 31311 1 195 . 1 . 1 43 43 GLY C C 13 174.220 . . 1 . . . . X 43 GLY C . 31311 1 196 . 1 . 1 43 43 GLY CA C 13 47.005 . . 1 . . . . X 43 GLY CA . 31311 1 197 . 1 . 1 43 43 GLY N N 15 117.123 . . 1 . . . . X 43 GLY N . 31311 1 198 . 1 . 1 44 44 GLY H H 1 8.433 . . 1 . . . . X 44 GLY H . 31311 1 199 . 1 . 1 44 44 GLY C C 13 172.186 . . 1 . . . . X 44 GLY C . 31311 1 200 . 1 . 1 44 44 GLY CA C 13 45.169 . . 1 . . . . X 44 GLY CA . 31311 1 201 . 1 . 1 44 44 GLY N N 15 112.324 . . 1 . . . . X 44 GLY N . 31311 1 202 . 1 . 1 45 45 ASP H H 1 7.712 . . 1 . . . . X 45 ASP H . 31311 1 203 . 1 . 1 45 45 ASP C C 13 174.928 . . 1 . . . . X 45 ASP C . 31311 1 204 . 1 . 1 45 45 ASP CA C 13 53.077 . . 1 . . . . X 45 ASP CA . 31311 1 205 . 1 . 1 45 45 ASP CB C 13 42.616 . . 1 . . . . X 45 ASP CB . 31311 1 206 . 1 . 1 45 45 ASP N N 15 118.372 . . 1 . . . . X 45 ASP N . 31311 1 207 . 1 . 1 46 46 ALA H H 1 8.655 . . 1 . . . . X 46 ALA H . 31311 1 208 . 1 . 1 46 46 ALA C C 13 174.790 . . 1 . . . . X 46 ALA C . 31311 1 209 . 1 . 1 46 46 ALA CA C 13 50.624 . . 1 . . . . X 46 ALA CA . 31311 1 210 . 1 . 1 46 46 ALA CB C 13 22.269 . . 1 . . . . X 46 ALA CB . 31311 1 211 . 1 . 1 46 46 ALA N N 15 121.413 . . 1 . . . . X 46 ALA N . 31311 1 212 . 1 . 1 47 47 GLU H H 1 9.039 . . 1 . . . . X 47 GLU H . 31311 1 213 . 1 . 1 47 47 GLU C C 13 174.711 . . 1 . . . . X 47 GLU C . 31311 1 214 . 1 . 1 47 47 GLU CA C 13 54.686 . . 1 . . . . X 47 GLU CA . 31311 1 215 . 1 . 1 47 47 GLU CB C 13 33.790 . . 1 . . . . X 47 GLU CB . 31311 1 216 . 1 . 1 47 47 GLU N N 15 120.942 . . 1 . . . . X 47 GLU N . 31311 1 217 . 1 . 1 48 48 VAL H H 1 9.297 . . 1 . . . . X 48 VAL H . 31311 1 218 . 1 . 1 48 48 VAL C C 13 173.735 . . 1 . . . . X 48 VAL C . 31311 1 219 . 1 . 1 48 48 VAL CA C 13 60.697 . . 1 . . . . X 48 VAL CA . 31311 1 220 . 1 . 1 48 48 VAL CB C 13 34.524 . . 1 . . . . X 48 VAL CB . 31311 1 221 . 1 . 1 48 48 VAL N N 15 123.217 . . 1 . . . . X 48 VAL N . 31311 1 222 . 1 . 1 49 49 LEU H H 1 8.831 . . 1 . . . . X 49 LEU H . 31311 1 223 . 1 . 1 49 49 LEU C C 13 175.687 . . 1 . . . . X 49 LEU C . 31311 1 224 . 1 . 1 49 49 LEU CA C 13 53.520 . . 1 . . . . X 49 LEU CA . 31311 1 225 . 1 . 1 49 49 LEU CB C 13 45.149 . . 1 . . . . X 49 LEU CB . 31311 1 226 . 1 . 1 49 49 LEU N N 15 128.163 . . 1 . . . . X 49 LEU N . 31311 1 227 . 1 . 1 50 50 LEU H H 1 9.703 . . 1 . . . . X 50 LEU H . 31311 1 228 . 1 . 1 50 50 LEU C C 13 176.004 . . 1 . . . . X 50 LEU C . 31311 1 229 . 1 . 1 50 50 LEU CA C 13 53.177 . . 1 . . . . X 50 LEU CA . 31311 1 230 . 1 . 1 50 50 LEU CB C 13 44.245 . . 1 . . . . X 50 LEU CB . 31311 1 231 . 1 . 1 50 50 LEU N N 15 125.829 . . 1 . . . . X 50 LEU N . 31311 1 232 . 1 . 1 51 51 ARG H H 1 9.058 . . 1 . . . . X 51 ARG H . 31311 1 233 . 1 . 1 51 51 ARG C C 13 176.373 . . 1 . . . . X 51 ARG C . 31311 1 234 . 1 . 1 51 51 ARG CA C 13 55.333 . . 1 . . . . X 51 ARG CA . 31311 1 235 . 1 . 1 51 51 ARG CB C 13 31.946 . . 1 . . . . X 51 ARG CB . 31311 1 236 . 1 . 1 51 51 ARG N N 15 122.599 . . 1 . . . . X 51 ARG N . 31311 1 237 . 1 . 1 52 52 LEU H H 1 7.932 . . 1 . . . . X 52 LEU H . 31311 1 238 . 1 . 1 52 52 LEU C C 13 176.247 . . 1 . . . . X 52 LEU C . 31311 1 239 . 1 . 1 52 52 LEU CA C 13 54.098 . . 1 . . . . X 52 LEU CA . 31311 1 240 . 1 . 1 52 52 LEU CB C 13 42.642 . . 1 . . . . X 52 LEU CB . 31311 1 241 . 1 . 1 52 52 LEU N N 15 124.356 . . 1 . . . . X 52 LEU N . 31311 1 242 . 1 . 1 53 53 ASP H H 1 8.291 . . 1 . . . . X 53 ASP H . 31311 1 243 . 1 . 1 53 53 ASP C C 13 175.903 . . 1 . . . . X 53 ASP C . 31311 1 244 . 1 . 1 53 53 ASP CA C 13 54.313 . . 1 . . . . X 53 ASP CA . 31311 1 245 . 1 . 1 53 53 ASP CB C 13 42.653 . . 1 . . . . X 53 ASP CB . 31311 1 246 . 1 . 1 53 53 ASP N N 15 121.872 . . 1 . . . . X 53 ASP N . 31311 1 247 . 1 . 1 54 54 ASP H H 1 8.814 . . 1 . . . . X 54 ASP H . 31311 1 248 . 1 . 1 54 54 ASP C C 13 178.435 . . 1 . . . . X 54 ASP C . 31311 1 249 . 1 . 1 54 54 ASP CA C 13 57.868 . . 1 . . . . X 54 ASP CA . 31311 1 250 . 1 . 1 54 54 ASP CB C 13 40.793 . . 1 . . . . X 54 ASP CB . 31311 1 251 . 1 . 1 54 54 ASP N N 15 121.811 . . 1 . . . . X 54 ASP N . 31311 1 252 . 1 . 1 55 55 ALA H H 1 8.612 . . 1 . . . . X 55 ALA H . 31311 1 253 . 1 . 1 55 55 ALA C C 13 180.657 . . 1 . . . . X 55 ALA C . 31311 1 254 . 1 . 1 55 55 ALA CA C 13 55.443 . . 1 . . . . X 55 ALA CA . 31311 1 255 . 1 . 1 55 55 ALA CB C 13 17.935 . . 1 . . . . X 55 ALA CB . 31311 1 256 . 1 . 1 55 55 ALA N N 15 123.687 . . 1 . . . . X 55 ALA N . 31311 1 257 . 1 . 1 56 56 THR H H 1 8.324 . . 1 . . . . X 56 THR H . 31311 1 258 . 1 . 1 56 56 THR C C 13 176.461 . . 1 . . . . X 56 THR C . 31311 1 259 . 1 . 1 56 56 THR CA C 13 66.449 . . 1 . . . . X 56 THR CA . 31311 1 260 . 1 . 1 56 56 THR CB C 13 68.786 . . 1 . . . . X 56 THR CB . 31311 1 261 . 1 . 1 56 56 THR N N 15 117.271 . . 1 . . . . X 56 THR N . 31311 1 262 . 1 . 1 57 57 TRP H H 1 8.735 . . 1 . . . . X 57 TRP H . 31311 1 263 . 1 . 1 57 57 TRP C C 13 176.209 . . 1 . . . . X 57 TRP C . 31311 1 264 . 1 . 1 57 57 TRP CA C 13 59.723 . . 1 . . . . X 57 TRP CA . 31311 1 265 . 1 . 1 57 57 TRP CB C 13 29.936 . . 1 . . . . X 57 TRP CB . 31311 1 266 . 1 . 1 57 57 TRP N N 15 119.723 . . 1 . . . . X 57 TRP N . 31311 1 267 . 1 . 1 58 58 ALA H H 1 8.438 . . 1 . . . . X 58 ALA H . 31311 1 268 . 1 . 1 58 58 ALA C C 13 181.202 . . 1 . . . . X 58 ALA C . 31311 1 269 . 1 . 1 58 58 ALA CA C 13 55.376 . . 1 . . . . X 58 ALA CA . 31311 1 270 . 1 . 1 58 58 ALA CB C 13 17.779 . . 1 . . . . X 58 ALA CB . 31311 1 271 . 1 . 1 58 58 ALA N N 15 119.346 . . 1 . . . . X 58 ALA N . 31311 1 272 . 1 . 1 59 59 ARG H H 1 7.297 . . 1 . . . . X 59 ARG H . 31311 1 273 . 1 . 1 59 59 ARG C C 13 178.683 . . 1 . . . . X 59 ARG C . 31311 1 274 . 1 . 1 59 59 ARG CA C 13 59.260 . . 1 . . . . X 59 ARG CA . 31311 1 275 . 1 . 1 59 59 ARG CB C 13 30.185 . . 1 . . . . X 59 ARG CB . 31311 1 276 . 1 . 1 59 59 ARG N N 15 116.889 . . 1 . . . . X 59 ARG N . 31311 1 277 . 1 . 1 60 60 ILE H H 1 7.079 . . 1 . . . . X 60 ILE H . 31311 1 278 . 1 . 1 60 60 ILE C C 13 177.068 . . 1 . . . . X 60 ILE C . 31311 1 279 . 1 . 1 60 60 ILE CA C 13 65.115 . . 1 . . . . X 60 ILE CA . 31311 1 280 . 1 . 1 60 60 ILE CB C 13 37.724 . . 1 . . . . X 60 ILE CB . 31311 1 281 . 1 . 1 60 60 ILE N N 15 120.610 . . 1 . . . . X 60 ILE N . 31311 1 282 . 1 . 1 61 61 ALA H H 1 8.670 . . 1 . . . . X 61 ALA H . 31311 1 283 . 1 . 1 61 61 ALA C C 13 180.691 . . 1 . . . . X 61 ALA C . 31311 1 284 . 1 . 1 61 61 ALA CA C 13 54.834 . . 1 . . . . X 61 ALA CA . 31311 1 285 . 1 . 1 61 61 ALA CB C 13 17.366 . . 1 . . . . X 61 ALA CB . 31311 1 286 . 1 . 1 61 61 ALA N N 15 120.850 . . 1 . . . . X 61 ALA N . 31311 1 287 . 1 . 1 62 62 ALA H H 1 7.537 . . 1 . . . . X 62 ALA H . 31311 1 288 . 1 . 1 62 62 ALA C C 13 180.178 . . 1 . . . . X 62 ALA C . 31311 1 289 . 1 . 1 62 62 ALA CA C 13 55.037 . . 1 . . . . X 62 ALA CA . 31311 1 290 . 1 . 1 62 62 ALA CB C 13 17.878 . . 1 . . . . X 62 ALA CB . 31311 1 291 . 1 . 1 62 62 ALA N N 15 119.847 . . 1 . . . . X 62 ALA N . 31311 1 292 . 1 . 1 63 63 LEU H H 1 7.269 . . 1 . . . . X 63 LEU H . 31311 1 293 . 1 . 1 63 63 LEU C C 13 181.126 . . 1 . . . . X 63 LEU C . 31311 1 294 . 1 . 1 63 63 LEU CA C 13 57.729 . . 1 . . . . X 63 LEU CA . 31311 1 295 . 1 . 1 63 63 LEU CB C 13 41.322 . . 1 . . . . X 63 LEU CB . 31311 1 296 . 1 . 1 63 63 LEU N N 15 118.766 . . 1 . . . . X 63 LEU N . 31311 1 297 . 1 . 1 64 64 LEU H H 1 8.579 . . 1 . . . . X 64 LEU H . 31311 1 298 . 1 . 1 64 64 LEU C C 13 181.641 . . 1 . . . . X 64 LEU C . 31311 1 299 . 1 . 1 64 64 LEU CA C 13 57.884 . . 1 . . . . X 64 LEU CA . 31311 1 300 . 1 . 1 64 64 LEU CB C 13 41.753 . . 1 . . . . X 64 LEU CB . 31311 1 301 . 1 . 1 64 64 LEU N N 15 122.853 . . 1 . . . . X 64 LEU N . 31311 1 302 . 1 . 1 65 65 ALA H H 1 7.995 . . 1 . . . . X 65 ALA H . 31311 1 303 . 1 . 1 65 65 ALA C C 13 179.120 . . 1 . . . . X 65 ALA C . 31311 1 304 . 1 . 1 65 65 ALA CA C 13 54.585 . . 1 . . . . X 65 ALA CA . 31311 1 305 . 1 . 1 65 65 ALA CB C 13 17.878 . . 1 . . . . X 65 ALA CB . 31311 1 306 . 1 . 1 65 65 ALA N N 15 121.923 . . 1 . . . . X 65 ALA N . 31311 1 307 . 1 . 1 66 66 GLU H H 1 7.238 . . 1 . . . . X 66 GLU H . 31311 1 308 . 1 . 1 66 66 GLU C C 13 176.814 . . 1 . . . . X 66 GLU C . 31311 1 309 . 1 . 1 66 66 GLU CA C 13 56.065 . . 1 . . . . X 66 GLU CA . 31311 1 310 . 1 . 1 66 66 GLU CB C 13 30.054 . . 1 . . . . X 66 GLU CB . 31311 1 311 . 1 . 1 66 66 GLU N N 15 115.398 . . 1 . . . . X 66 GLU N . 31311 1 312 . 1 . 1 67 67 GLY H H 1 7.855 . . 1 . . . . X 67 GLY H . 31311 1 313 . 1 . 1 67 67 GLY C C 13 174.807 . . 1 . . . . X 67 GLY C . 31311 1 314 . 1 . 1 67 67 GLY CA C 13 45.385 . . 1 . . . . X 67 GLY CA . 31311 1 315 . 1 . 1 67 67 GLY N N 15 107.111 . . 1 . . . . X 67 GLY N . 31311 1 316 . 1 . 1 68 68 THR H H 1 7.711 . . 1 . . . . X 68 THR H . 31311 1 317 . 1 . 1 68 68 THR CA C 13 61.939 . . 1 . . . . X 68 THR CA . 31311 1 318 . 1 . 1 68 68 THR CB C 13 70.004 . . 1 . . . . X 68 THR CB . 31311 1 319 . 1 . 1 68 68 THR N N 15 120.787 . . 1 . . . . X 68 THR N . 31311 1 320 . 1 . 1 69 69 PRO C C 13 177.782 . . 1 . . . . X 69 PRO C . 31311 1 321 . 1 . 1 69 69 PRO CA C 13 62.843 . . 1 . . . . X 69 PRO CA . 31311 1 322 . 1 . 1 69 69 PRO CB C 13 32.293 . . 1 . . . . X 69 PRO CB . 31311 1 323 . 1 . 1 70 70 LEU H H 1 8.471 . . 1 . . . . X 70 LEU H . 31311 1 324 . 1 . 1 70 70 LEU C C 13 178.554 . . 1 . . . . X 70 LEU C . 31311 1 325 . 1 . 1 70 70 LEU CA C 13 58.836 . . 1 . . . . X 70 LEU CA . 31311 1 326 . 1 . 1 70 70 LEU CB C 13 42.075 . . 1 . . . . X 70 LEU CB . 31311 1 327 . 1 . 1 70 70 LEU N N 15 124.343 . . 1 . . . . X 70 LEU N . 31311 1 328 . 1 . 1 71 71 GLU H H 1 8.810 . . 1 . . . . X 71 GLU H . 31311 1 329 . 1 . 1 71 71 GLU C C 13 176.253 . . 1 . . . . X 71 GLU C . 31311 1 330 . 1 . 1 71 71 GLU CA C 13 58.654 . . 1 . . . . X 71 GLU CA . 31311 1 331 . 1 . 1 71 71 GLU CB C 13 28.728 . . 1 . . . . X 71 GLU CB . 31311 1 332 . 1 . 1 71 71 GLU N N 15 111.371 . . 1 . . . . X 71 GLU N . 31311 1 333 . 1 . 1 72 72 ASP H H 1 7.884 . . 1 . . . . X 72 ASP H . 31311 1 334 . 1 . 1 72 72 ASP C C 13 176.174 . . 1 . . . . X 72 ASP C . 31311 1 335 . 1 . 1 72 72 ASP CA C 13 53.914 . . 1 . . . . X 72 ASP CA . 31311 1 336 . 1 . 1 72 72 ASP CB C 13 41.519 . . 1 . . . . X 72 ASP CB . 31311 1 337 . 1 . 1 72 72 ASP N N 15 117.407 . . 1 . . . . X 72 ASP N . 31311 1 338 . 1 . 1 73 73 ILE H H 1 7.640 . . 1 . . . . X 73 ILE H . 31311 1 339 . 1 . 1 73 73 ILE CA C 13 60.312 . . 1 . . . . X 73 ILE CA . 31311 1 340 . 1 . 1 73 73 ILE CB C 13 37.947 . . 1 . . . . X 73 ILE CB . 31311 1 341 . 1 . 1 73 73 ILE N N 15 125.620 . . 1 . . . . X 73 ILE N . 31311 1 342 . 1 . 1 74 74 PRO C C 13 177.922 . . 1 . . . . X 74 PRO C . 31311 1 343 . 1 . 1 74 74 PRO CA C 13 66.584 . . 1 . . . . X 74 PRO CA . 31311 1 344 . 1 . 1 74 74 PRO CB C 13 31.950 . . 1 . . . . X 74 PRO CB . 31311 1 345 . 1 . 1 75 75 GLU H H 1 9.943 . . 1 . . . . X 75 GLU H . 31311 1 346 . 1 . 1 75 75 GLU C C 13 178.428 . . 1 . . . . X 75 GLU C . 31311 1 347 . 1 . 1 75 75 GLU CA C 13 61.561 . . 1 . . . . X 75 GLU CA . 31311 1 348 . 1 . 1 75 75 GLU CB C 13 29.566 . . 1 . . . . X 75 GLU CB . 31311 1 349 . 1 . 1 75 75 GLU N N 15 117.320 . . 1 . . . . X 75 GLU N . 31311 1 350 . 1 . 1 76 76 ILE H H 1 7.064 . . 1 . . . . X 76 ILE H . 31311 1 351 . 1 . 1 76 76 ILE C C 13 177.025 . . 1 . . . . X 76 ILE C . 31311 1 352 . 1 . 1 76 76 ILE CA C 13 62.316 . . 1 . . . . X 76 ILE CA . 31311 1 353 . 1 . 1 76 76 ILE CB C 13 35.689 . . 1 . . . . X 76 ILE CB . 31311 1 354 . 1 . 1 76 76 ILE N N 15 116.631 . . 1 . . . . X 76 ILE N . 31311 1 355 . 1 . 1 77 77 ARG H H 1 8.457 . . 1 . . . . X 77 ARG H . 31311 1 356 . 1 . 1 77 77 ARG C C 13 179.211 . . 1 . . . . X 77 ARG C . 31311 1 357 . 1 . 1 77 77 ARG CA C 13 59.784 . . 1 . . . . X 77 ARG CA . 31311 1 358 . 1 . 1 77 77 ARG CB C 13 29.764 . . 1 . . . . X 77 ARG CB . 31311 1 359 . 1 . 1 77 77 ARG N N 15 116.616 . . 1 . . . . X 77 ARG N . 31311 1 360 . 1 . 1 78 78 GLU H H 1 8.719 . . 1 . . . . X 78 GLU H . 31311 1 361 . 1 . 1 78 78 GLU C C 13 178.261 . . 1 . . . . X 78 GLU C . 31311 1 362 . 1 . 1 78 78 GLU CA C 13 59.309 . . 1 . . . . X 78 GLU CA . 31311 1 363 . 1 . 1 78 78 GLU CB C 13 29.270 . . 1 . . . . X 78 GLU CB . 31311 1 364 . 1 . 1 78 78 GLU N N 15 117.362 . . 1 . . . . X 78 GLU N . 31311 1 365 . 1 . 1 79 79 PHE H H 1 7.755 . . 1 . . . . X 79 PHE H . 31311 1 366 . 1 . 1 79 79 PHE C C 13 177.384 . . 1 . . . . X 79 PHE C . 31311 1 367 . 1 . 1 79 79 PHE CA C 13 62.002 . . 1 . . . . X 79 PHE CA . 31311 1 368 . 1 . 1 79 79 PHE CB C 13 38.363 . . 1 . . . . X 79 PHE CB . 31311 1 369 . 1 . 1 79 79 PHE N N 15 117.302 . . 1 . . . . X 79 PHE N . 31311 1 370 . 1 . 1 80 80 PHE H H 1 8.338 . . 1 . . . . X 80 PHE H . 31311 1 371 . 1 . 1 80 80 PHE C C 13 177.682 . . 1 . . . . X 80 PHE C . 31311 1 372 . 1 . 1 80 80 PHE CA C 13 63.026 . . 1 . . . . X 80 PHE CA . 31311 1 373 . 1 . 1 80 80 PHE CB C 13 38.479 . . 1 . . . . X 80 PHE CB . 31311 1 374 . 1 . 1 80 80 PHE N N 15 118.067 . . 1 . . . . X 80 PHE N . 31311 1 375 . 1 . 1 81 81 ASP H H 1 8.775 . . 1 . . . . X 81 ASP H . 31311 1 376 . 1 . 1 81 81 ASP C C 13 177.889 . . 1 . . . . X 81 ASP C . 31311 1 377 . 1 . 1 81 81 ASP CA C 13 56.893 . . 1 . . . . X 81 ASP CA . 31311 1 378 . 1 . 1 81 81 ASP CB C 13 40.234 . . 1 . . . . X 81 ASP CB . 31311 1 379 . 1 . 1 81 81 ASP N N 15 120.344 . . 1 . . . . X 81 ASP N . 31311 1 380 . 1 . 1 82 82 ILE H H 1 7.412 . . 1 . . . . X 82 ILE H . 31311 1 381 . 1 . 1 82 82 ILE C C 13 177.981 . . 1 . . . . X 82 ILE C . 31311 1 382 . 1 . 1 82 82 ILE CA C 13 63.183 . . 1 . . . . X 82 ILE CA . 31311 1 383 . 1 . 1 82 82 ILE CB C 13 38.999 . . 1 . . . . X 82 ILE CB . 31311 1 384 . 1 . 1 82 82 ILE N N 15 117.286 . . 1 . . . . X 82 ILE N . 31311 1 385 . 1 . 1 83 83 ALA H H 1 8.794 . . 1 . . . . X 83 ALA H . 31311 1 386 . 1 . 1 83 83 ALA C C 13 178.287 . . 1 . . . . X 83 ALA C . 31311 1 387 . 1 . 1 83 83 ALA CA C 13 55.767 . . 1 . . . . X 83 ALA CA . 31311 1 388 . 1 . 1 83 83 ALA CB C 13 19.283 . . 1 . . . . X 83 ALA CB . 31311 1 389 . 1 . 1 83 83 ALA N N 15 120.308 . . 1 . . . . X 83 ALA N . 31311 1 390 . 1 . 1 84 84 ILE H H 1 8.455 . . 1 . . . . X 84 ILE H . 31311 1 391 . 1 . 1 84 84 ILE CA C 13 67.227 . . 1 . . . . X 84 ILE CA . 31311 1 392 . 1 . 1 84 84 ILE CB C 13 34.188 . . 1 . . . . X 84 ILE CB . 31311 1 393 . 1 . 1 84 84 ILE N N 15 114.594 . . 1 . . . . X 84 ILE N . 31311 1 394 . 1 . 1 85 85 PRO C C 13 178.660 . . 1 . . . . X 85 PRO C . 31311 1 395 . 1 . 1 85 85 PRO CA C 13 65.666 . . 1 . . . . X 85 PRO CA . 31311 1 396 . 1 . 1 85 85 PRO CB C 13 30.377 . . 1 . . . . X 85 PRO CB . 31311 1 397 . 1 . 1 86 86 PHE H H 1 7.106 . . 1 . . . . X 86 PHE H . 31311 1 398 . 1 . 1 86 86 PHE C C 13 177.860 . . 1 . . . . X 86 PHE C . 31311 1 399 . 1 . 1 86 86 PHE CA C 13 61.828 . . 1 . . . . X 86 PHE CA . 31311 1 400 . 1 . 1 86 86 PHE CB C 13 39.895 . . 1 . . . . X 86 PHE CB . 31311 1 401 . 1 . 1 86 86 PHE N N 15 116.503 . . 1 . . . . X 86 PHE N . 31311 1 402 . 1 . 1 87 87 ILE H H 1 7.416 . . 1 . . . . X 87 ILE H . 31311 1 403 . 1 . 1 87 87 ILE CA C 13 63.198 . . 1 . . . . X 87 ILE CA . 31311 1 404 . 1 . 1 87 87 ILE CB C 13 39.564 . . 1 . . . . X 87 ILE CB . 31311 1 405 . 1 . 1 87 87 ILE N N 15 116.874 . . 1 . . . . X 87 ILE N . 31311 1 406 . 1 . 1 89 89 GLU C C 13 177.195 . . 1 . . . . X 89 GLU C . 31311 1 407 . 1 . 1 90 90 VAL H H 1 7.605 . . 1 . . . . X 90 VAL H . 31311 1 408 . 1 . 1 90 90 VAL CA C 13 64.618 . . 1 . . . . X 90 VAL CA . 31311 1 409 . 1 . 1 90 90 VAL CB C 13 31.539 . . 1 . . . . X 90 VAL CB . 31311 1 410 . 1 . 1 90 90 VAL N N 15 116.661 . . 1 . . . . X 90 VAL N . 31311 1 411 . 1 . 1 93 93 GLU C C 13 177.372 . . 1 . . . . X 93 GLU C . 31311 1 412 . 1 . 1 94 94 GLU H H 1 7.801 . . 1 . . . . X 94 GLU H . 31311 1 413 . 1 . 1 94 94 GLU C C 13 178.952 . . 1 . . . . X 94 GLU C . 31311 1 414 . 1 . 1 94 94 GLU CA C 13 59.885 . . 1 . . . . X 94 GLU CA . 31311 1 415 . 1 . 1 94 94 GLU CB C 13 29.531 . . 1 . . . . X 94 GLU CB . 31311 1 416 . 1 . 1 94 94 GLU N N 15 120.460 . . 1 . . . . X 94 GLU N . 31311 1 417 . 1 . 1 95 95 VAL H H 1 7.864 . . 1 . . . . X 95 VAL H . 31311 1 418 . 1 . 1 95 95 VAL C C 13 178.939 . . 1 . . . . X 95 VAL C . 31311 1 419 . 1 . 1 95 95 VAL CA C 13 66.326 . . 1 . . . . X 95 VAL CA . 31311 1 420 . 1 . 1 95 95 VAL CB C 13 31.437 . . 1 . . . . X 95 VAL CB . 31311 1 421 . 1 . 1 95 95 VAL N N 15 118.911 . . 1 . . . . X 95 VAL N . 31311 1 422 . 1 . 1 96 96 LYS H H 1 7.895 . . 1 . . . . X 96 LYS H . 31311 1 423 . 1 . 1 96 96 LYS C C 13 178.763 . . 1 . . . . X 96 LYS C . 31311 1 424 . 1 . 1 96 96 LYS CA C 13 59.136 . . 1 . . . . X 96 LYS CA . 31311 1 425 . 1 . 1 96 96 LYS CB C 13 32.010 . . 1 . . . . X 96 LYS CB . 31311 1 426 . 1 . 1 96 96 LYS N N 15 120.151 . . 1 . . . . X 96 LYS N . 31311 1 427 . 1 . 1 97 97 ALA H H 1 7.529 . . 1 . . . . X 97 ALA H . 31311 1 428 . 1 . 1 97 97 ALA C C 13 178.683 . . 1 . . . . X 97 ALA C . 31311 1 429 . 1 . 1 97 97 ALA CA C 13 53.715 . . 1 . . . . X 97 ALA CA . 31311 1 430 . 1 . 1 97 97 ALA CB C 13 18.298 . . 1 . . . . X 97 ALA CB . 31311 1 431 . 1 . 1 97 97 ALA N N 15 120.043 . . 1 . . . . X 97 ALA N . 31311 1 432 . 1 . 1 98 98 LEU H H 1 7.495 . . 1 . . . . X 98 LEU H . 31311 1 433 . 1 . 1 98 98 LEU C C 13 178.550 . . 1 . . . . X 98 LEU C . 31311 1 434 . 1 . 1 98 98 LEU CA C 13 56.310 . . 1 . . . . X 98 LEU CA . 31311 1 435 . 1 . 1 98 98 LEU CB C 13 41.455 . . 1 . . . . X 98 LEU CB . 31311 1 436 . 1 . 1 98 98 LEU N N 15 117.563 . . 1 . . . . X 98 LEU N . 31311 1 437 . 1 . 1 99 99 GLY H H 1 7.537 . . 1 . . . . X 99 GLY H . 31311 1 438 . 1 . 1 99 99 GLY CA C 13 46.380 . . 1 . . . . X 99 GLY CA . 31311 1 439 . 1 . 1 99 99 GLY N N 15 104.724 . . 1 . . . . X 99 GLY N . 31311 1 440 . 1 . 1 102 102 GLU C C 13 176.834 . . 1 . . . . X 102 GLU C . 31311 1 441 . 1 . 1 103 103 LEU H H 1 7.835 . . 1 . . . . X 103 LEU H . 31311 1 442 . 1 . 1 103 103 LEU C C 13 177.630 . . 1 . . . . X 103 LEU C . 31311 1 443 . 1 . 1 103 103 LEU CA C 13 54.876 . . 1 . . . . X 103 LEU CA . 31311 1 444 . 1 . 1 103 103 LEU CB C 13 41.870 . . 1 . . . . X 103 LEU CB . 31311 1 445 . 1 . 1 103 103 LEU N N 15 119.166 . . 1 . . . . X 103 LEU N . 31311 1 446 . 1 . 1 104 104 GLU H H 1 7.701 . . 1 . . . . X 104 GLU H . 31311 1 447 . 1 . 1 104 104 GLU C C 13 177.008 . . 1 . . . . X 104 GLU C . 31311 1 448 . 1 . 1 104 104 GLU CA C 13 57.808 . . 1 . . . . X 104 GLU CA . 31311 1 449 . 1 . 1 104 104 GLU CB C 13 29.823 . . 1 . . . . X 104 GLU CB . 31311 1 450 . 1 . 1 104 104 GLU N N 15 118.293 . . 1 . . . . X 104 GLU N . 31311 1 451 . 1 . 1 105 105 GLY H H 1 8.602 . . 1 . . . . X 105 GLY H . 31311 1 452 . 1 . 1 105 105 GLY C C 13 173.680 . . 1 . . . . X 105 GLY C . 31311 1 453 . 1 . 1 105 105 GLY CA C 13 44.943 . . 1 . . . . X 105 GLY CA . 31311 1 454 . 1 . 1 105 105 GLY N N 15 110.047 . . 1 . . . . X 105 GLY N . 31311 1 455 . 1 . 1 106 106 ALA H H 1 7.442 . . 1 . . . . X 106 ALA H . 31311 1 456 . 1 . 1 106 106 ALA C C 13 176.226 . . 1 . . . . X 106 ALA C . 31311 1 457 . 1 . 1 106 106 ALA CA C 13 52.885 . . 1 . . . . X 106 ALA CA . 31311 1 458 . 1 . 1 106 106 ALA CB C 13 21.156 . . 1 . . . . X 106 ALA CB . 31311 1 459 . 1 . 1 106 106 ALA N N 15 121.732 . . 1 . . . . X 106 ALA N . 31311 1 460 . 1 . 1 107 107 GLN H H 1 8.565 . . 1 . . . . X 107 GLN H . 31311 1 461 . 1 . 1 107 107 GLN C C 13 175.230 . . 1 . . . . X 107 GLN C . 31311 1 462 . 1 . 1 107 107 GLN CA C 13 54.261 . . 1 . . . . X 107 GLN CA . 31311 1 463 . 1 . 1 107 107 GLN CB C 13 33.563 . . 1 . . . . X 107 GLN CB . 31311 1 464 . 1 . 1 107 107 GLN N N 15 117.330 . . 1 . . . . X 107 GLN N . 31311 1 465 . 1 . 1 108 108 VAL H H 1 9.224 . . 1 . . . . X 108 VAL H . 31311 1 466 . 1 . 1 108 108 VAL C C 13 174.317 . . 1 . . . . X 108 VAL C . 31311 1 467 . 1 . 1 108 108 VAL CA C 13 60.699 . . 1 . . . . X 108 VAL CA . 31311 1 468 . 1 . 1 108 108 VAL CB C 13 34.958 . . 1 . . . . X 108 VAL CB . 31311 1 469 . 1 . 1 108 108 VAL N N 15 120.890 . . 1 . . . . X 108 VAL N . 31311 1 470 . 1 . 1 109 109 VAL H H 1 9.462 . . 1 . . . . X 109 VAL H . 31311 1 471 . 1 . 1 109 109 VAL C C 13 175.196 . . 1 . . . . X 109 VAL C . 31311 1 472 . 1 . 1 109 109 VAL CA C 13 60.630 . . 1 . . . . X 109 VAL CA . 31311 1 473 . 1 . 1 109 109 VAL CB C 13 34.134 . . 1 . . . . X 109 VAL CB . 31311 1 474 . 1 . 1 109 109 VAL N N 15 127.504 . . 1 . . . . X 109 VAL N . 31311 1 475 . 1 . 1 110 110 ILE H H 1 9.206 . . 1 . . . . X 110 ILE H . 31311 1 476 . 1 . 1 110 110 ILE C C 13 175.434 . . 1 . . . . X 110 ILE C . 31311 1 477 . 1 . 1 110 110 ILE CA C 13 60.281 . . 1 . . . . X 110 ILE CA . 31311 1 478 . 1 . 1 110 110 ILE CB C 13 40.746 . . 1 . . . . X 110 ILE CB . 31311 1 479 . 1 . 1 110 110 ILE N N 15 126.006 . . 1 . . . . X 110 ILE N . 31311 1 480 . 1 . 1 111 111 ARG H H 1 9.398 . . 1 . . . . X 111 ARG H . 31311 1 481 . 1 . 1 111 111 ARG C C 13 174.225 . . 1 . . . . X 111 ARG C . 31311 1 482 . 1 . 1 111 111 ARG CA C 13 54.580 . . 1 . . . . X 111 ARG CA . 31311 1 483 . 1 . 1 111 111 ARG CB C 13 35.413 . . 1 . . . . X 111 ARG CB . 31311 1 484 . 1 . 1 111 111 ARG N N 15 124.753 . . 1 . . . . X 111 ARG N . 31311 1 485 . 1 . 1 112 112 MET H H 1 8.168 . . 1 . . . . X 112 MET H . 31311 1 486 . 1 . 1 112 112 MET C C 13 173.676 . . 1 . . . . X 112 MET C . 31311 1 487 . 1 . 1 112 112 MET CA C 13 54.186 . . 1 . . . . X 112 MET CA . 31311 1 488 . 1 . 1 112 112 MET CB C 13 36.725 . . 1 . . . . X 112 MET CB . 31311 1 489 . 1 . 1 112 112 MET N N 15 120.768 . . 1 . . . . X 112 MET N . 31311 1 490 . 1 . 1 113 113 TYR H H 1 9.153 . . 1 . . . . X 113 TYR H . 31311 1 491 . 1 . 1 113 113 TYR C C 13 174.047 . . 1 . . . . X 113 TYR C . 31311 1 492 . 1 . 1 113 113 TYR CA C 13 57.947 . . 1 . . . . X 113 TYR CA . 31311 1 493 . 1 . 1 113 113 TYR CB C 13 42.380 . . 1 . . . . X 113 TYR CB . 31311 1 494 . 1 . 1 113 113 TYR N N 15 122.110 . . 1 . . . . X 113 TYR N . 31311 1 495 . 1 . 1 114 114 ASP H H 1 8.700 . . 1 . . . . X 114 ASP H . 31311 1 496 . 1 . 1 114 114 ASP C C 13 175.677 . . 1 . . . . X 114 ASP C . 31311 1 497 . 1 . 1 114 114 ASP CA C 13 53.230 . . 1 . . . . X 114 ASP CA . 31311 1 498 . 1 . 1 114 114 ASP CB C 13 41.996 . . 1 . . . . X 114 ASP CB . 31311 1 499 . 1 . 1 114 114 ASP N N 15 119.777 . . 1 . . . . X 114 ASP N . 31311 1 500 . 1 . 1 115 115 GLY H H 1 7.695 . . 1 . . . . X 115 GLY H . 31311 1 501 . 1 . 1 115 115 GLY C C 13 173.138 . . 1 . . . . X 115 GLY C . 31311 1 502 . 1 . 1 115 115 GLY CA C 13 44.397 . . 1 . . . . X 115 GLY CA . 31311 1 503 . 1 . 1 115 115 GLY N N 15 110.972 . . 1 . . . . X 115 GLY N . 31311 1 504 . 1 . 1 116 116 ASP H H 1 8.385 . . 1 . . . . X 116 ASP H . 31311 1 505 . 1 . 1 116 116 ASP CA C 13 52.457 . . 1 . . . . X 116 ASP CA . 31311 1 506 . 1 . 1 116 116 ASP CB C 13 42.200 . . 1 . . . . X 116 ASP CB . 31311 1 507 . 1 . 1 116 116 ASP N N 15 122.839 . . 1 . . . . X 116 ASP N . 31311 1 508 . 1 . 1 117 117 PRO C C 13 176.566 . . 1 . . . . X 117 PRO C . 31311 1 509 . 1 . 1 117 117 PRO CA C 13 64.009 . . 1 . . . . X 117 PRO CA . 31311 1 510 . 1 . 1 117 117 PRO CB C 13 31.478 . . 1 . . . . X 117 PRO CB . 31311 1 511 . 1 . 1 118 118 ARG H H 1 8.342 . . 1 . . . . X 118 ARG H . 31311 1 512 . 1 . 1 118 118 ARG C C 13 177.245 . . 1 . . . . X 118 ARG C . 31311 1 513 . 1 . 1 118 118 ARG CA C 13 57.501 . . 1 . . . . X 118 ARG CA . 31311 1 514 . 1 . 1 118 118 ARG CB C 13 29.769 . . 1 . . . . X 118 ARG CB . 31311 1 515 . 1 . 1 118 118 ARG N N 15 116.133 . . 1 . . . . X 118 ARG N . 31311 1 516 . 1 . 1 119 119 ASP H H 1 7.690 . . 1 . . . . X 119 ASP H . 31311 1 517 . 1 . 1 119 119 ASP C C 13 175.187 . . 1 . . . . X 119 ASP C . 31311 1 518 . 1 . 1 119 119 ASP CA C 13 54.752 . . 1 . . . . X 119 ASP CA . 31311 1 519 . 1 . 1 119 119 ASP CB C 13 42.604 . . 1 . . . . X 119 ASP CB . 31311 1 520 . 1 . 1 119 119 ASP N N 15 116.702 . . 1 . . . . X 119 ASP N . 31311 1 521 . 1 . 1 120 120 ASN H H 1 7.507 . . 1 . . . . X 120 ASN H . 31311 1 522 . 1 . 1 120 120 ASN CA C 13 51.283 . . 1 . . . . X 120 ASN CA . 31311 1 523 . 1 . 1 120 120 ASN CB C 13 41.447 . . 1 . . . . X 120 ASN CB . 31311 1 524 . 1 . 1 120 120 ASN N N 15 117.820 . . 1 . . . . X 120 ASN N . 31311 1 525 . 1 . 1 122 122 PRO C C 13 177.354 . . 1 . . . . X 122 PRO C . 31311 1 526 . 1 . 1 122 122 PRO CA C 13 62.765 . . 1 . . . . X 122 PRO CA . 31311 1 527 . 1 . 1 122 122 PRO CB C 13 31.126 . . 1 . . . . X 122 PRO CB . 31311 1 528 . 1 . 1 123 123 LEU H H 1 8.911 . . 1 . . . . X 123 LEU H . 31311 1 529 . 1 . 1 123 123 LEU C C 13 177.199 . . 1 . . . . X 123 LEU C . 31311 1 530 . 1 . 1 123 123 LEU CA C 13 55.920 . . 1 . . . . X 123 LEU CA . 31311 1 531 . 1 . 1 123 123 LEU CB C 13 43.920 . . 1 . . . . X 123 LEU CB . 31311 1 532 . 1 . 1 123 123 LEU N N 15 122.304 . . 1 . . . . X 123 LEU N . 31311 1 533 . 1 . 1 124 124 ALA H H 1 7.228 . . 1 . . . . X 124 ALA H . 31311 1 534 . 1 . 1 124 124 ALA C C 13 175.786 . . 1 . . . . X 124 ALA C . 31311 1 535 . 1 . 1 124 124 ALA CA C 13 51.579 . . 1 . . . . X 124 ALA CA . 31311 1 536 . 1 . 1 124 124 ALA CB C 13 22.602 . . 1 . . . . X 124 ALA CB . 31311 1 537 . 1 . 1 124 124 ALA N N 15 115.360 . . 1 . . . . X 124 ALA N . 31311 1 538 . 1 . 1 125 125 SER H H 1 8.560 . . 1 . . . . X 125 SER H . 31311 1 539 . 1 . 1 125 125 SER C C 13 173.509 . . 1 . . . . X 125 SER C . 31311 1 540 . 1 . 1 125 125 SER CA C 13 57.288 . . 1 . . . . X 125 SER CA . 31311 1 541 . 1 . 1 125 125 SER CB C 13 65.898 . . 1 . . . . X 125 SER CB . 31311 1 542 . 1 . 1 125 125 SER N N 15 114.336 . . 1 . . . . X 125 SER N . 31311 1 543 . 1 . 1 126 126 ARG H H 1 9.192 . . 1 . . . . X 126 ARG H . 31311 1 544 . 1 . 1 126 126 ARG C C 13 173.852 . . 1 . . . . X 126 ARG C . 31311 1 545 . 1 . 1 126 126 ARG CA C 13 54.063 . . 1 . . . . X 126 ARG CA . 31311 1 546 . 1 . 1 126 126 ARG CB C 13 33.970 . . 1 . . . . X 126 ARG CB . 31311 1 547 . 1 . 1 126 126 ARG N N 15 123.815 . . 1 . . . . X 126 ARG N . 31311 1 548 . 1 . 1 127 127 VAL H H 1 8.604 . . 1 . . . . X 127 VAL H . 31311 1 549 . 1 . 1 127 127 VAL C C 13 175.100 . . 1 . . . . X 127 VAL C . 31311 1 550 . 1 . 1 127 127 VAL CA C 13 61.998 . . 1 . . . . X 127 VAL CA . 31311 1 551 . 1 . 1 127 127 VAL CB C 13 33.461 . . 1 . . . . X 127 VAL CB . 31311 1 552 . 1 . 1 127 127 VAL N N 15 123.047 . . 1 . . . . X 127 VAL N . 31311 1 553 . 1 . 1 128 128 LEU H H 1 9.676 . . 1 . . . . X 128 LEU H . 31311 1 554 . 1 . 1 128 128 LEU C C 13 175.856 . . 1 . . . . X 128 LEU C . 31311 1 555 . 1 . 1 128 128 LEU CA C 13 53.841 . . 1 . . . . X 128 LEU CA . 31311 1 556 . 1 . 1 128 128 LEU CB C 13 44.153 . . 1 . . . . X 128 LEU CB . 31311 1 557 . 1 . 1 128 128 LEU N N 15 130.203 . . 1 . . . . X 128 LEU N . 31311 1 558 . 1 . 1 129 129 THR H H 1 8.601 . . 1 . . . . X 129 THR H . 31311 1 559 . 1 . 1 129 129 THR C C 13 173.384 . . 1 . . . . X 129 THR C . 31311 1 560 . 1 . 1 129 129 THR CA C 13 61.119 . . 1 . . . . X 129 THR CA . 31311 1 561 . 1 . 1 129 129 THR CB C 13 71.049 . . 1 . . . . X 129 THR CB . 31311 1 562 . 1 . 1 129 129 THR N N 15 115.845 . . 1 . . . . X 129 THR N . 31311 1 563 . 1 . 1 130 130 LEU H H 1 8.399 . . 1 . . . . X 130 LEU H . 31311 1 564 . 1 . 1 130 130 LEU CA C 13 52.821 . . 1 . . . . X 130 LEU CA . 31311 1 565 . 1 . 1 130 130 LEU CB C 13 42.315 . . 1 . . . . X 130 LEU CB . 31311 1 566 . 1 . 1 130 130 LEU N N 15 128.713 . . 1 . . . . X 130 LEU N . 31311 1 567 . 1 . 1 132 132 PRO C C 13 177.670 . . 1 . . . . X 132 PRO C . 31311 1 568 . 1 . 1 132 132 PRO CA C 13 62.892 . . 1 . . . . X 132 PRO CA . 31311 1 569 . 1 . 1 132 132 PRO CB C 13 32.128 . . 1 . . . . X 132 PRO CB . 31311 1 570 . 1 . 1 133 133 GLY H H 1 8.610 . . 1 . . . . X 133 GLY H . 31311 1 571 . 1 . 1 133 133 GLY C C 13 174.350 . . 1 . . . . X 133 GLY C . 31311 1 572 . 1 . 1 133 133 GLY CA C 13 45.276 . . 1 . . . . X 133 GLY CA . 31311 1 573 . 1 . 1 133 133 GLY N N 15 109.313 . . 1 . . . . X 133 GLY N . 31311 1 574 . 1 . 1 134 134 SER H H 1 8.232 . . 1 . . . . X 134 SER H . 31311 1 575 . 1 . 1 134 134 SER CA C 13 58.483 . . 1 . . . . X 134 SER CA . 31311 1 576 . 1 . 1 134 134 SER CB C 13 63.837 . . 1 . . . . X 134 SER CB . 31311 1 577 . 1 . 1 134 134 SER N N 15 115.354 . . 1 . . . . X 134 SER N . 31311 1 stop_ save_