data_26937 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26937 _Entry.Title ; 1H, 13C, 15N Backbone chemical Shift Assignment of camelid single-domain antibodies against active state of mu-opioid receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-08 _Entry.Accession_date 2016-11-08 _Entry.Last_release_date 2016-11-08 _Entry.Original_release_date 2016-11-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Remy Sounier . . . . 26937 2 Yinshan Yang . . . . 26937 3 Joanna Hagelberger . . . . 26937 4 Sebastien Granier . . . . 26937 5 Helene Demene . . . . 26937 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Genomique Fonctionnelle' . 26937 2 . 'Centre de Biochimie Structurale' . 26937 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26937 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 359 26937 '15N chemical shifts' 133 26937 '1H chemical shifts' 274 26937 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 . . 2017-04-26 . original BMRB . 26937 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26936 'nanobody 33' 26937 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26937 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28239762 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N Backbone Chemical Shift Assignments of camelid single-domain antibodies against active state of mu-opioid receptor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _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 117 _Citation.Page_last 121 _Citation.Year 2017 _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 Remy Sounier . . . . 26937 1 2 Yinshan Yang . . . . 26937 1 3 Joanna Hagelberger . . . . 26937 1 4 Sebastien Granier . . . . 26937 1 5 Helene Demene . . . . 26937 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G-protein Coupled receptor' 26937 1 'camelid antibody' 26937 1 nanobody 26937 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26937 _Assembly.ID 1 _Assembly.Name 'nanobody 39' _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 'nanobody 39' 1 $Nb39 A . yes native no no . . . 26937 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . 26937 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5C1M . . X-ray . . 'Numbering offset between X-RAy structure and NMR sample' 26937 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nb39 _Entity.Sf_category entity _Entity.Sf_framecode Nb39 _Entity.Entry_ID 26937 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nb39 _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 ; SQVQLVESGGGLVRPGGSLR LSCVDSERTSYPMGWFRRAP GKEREFVASITWSGIDPTYA DSVADRFTTSRDVANNTLYL QMNSLKHEDTAVYYCAARAP VGQSSSPYDYDYWGQGTQVT VSSLEVLFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,S _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 26937 1 2 . GLN . 26937 1 3 . VAL . 26937 1 4 . GLN . 26937 1 5 . LEU . 26937 1 6 . VAL . 26937 1 7 . GLU . 26937 1 8 . SER . 26937 1 9 . GLY . 26937 1 10 . GLY . 26937 1 11 . GLY . 26937 1 12 . LEU . 26937 1 13 . VAL . 26937 1 14 . ARG . 26937 1 15 . PRO . 26937 1 16 . GLY . 26937 1 17 . GLY . 26937 1 18 . SER . 26937 1 19 . LEU . 26937 1 20 . ARG . 26937 1 21 . LEU . 26937 1 22 . SER . 26937 1 23 . CYS . 26937 1 24 . VAL . 26937 1 25 . ASP . 26937 1 26 . SER . 26937 1 27 . GLU . 26937 1 28 . ARG . 26937 1 29 . THR . 26937 1 30 . SER . 26937 1 31 . TYR . 26937 1 32 . PRO . 26937 1 33 . MET . 26937 1 34 . GLY . 26937 1 35 . TRP . 26937 1 36 . PHE . 26937 1 37 . ARG . 26937 1 38 . ARG . 26937 1 39 . ALA . 26937 1 40 . PRO . 26937 1 41 . GLY . 26937 1 42 . LYS . 26937 1 43 . GLU . 26937 1 44 . ARG . 26937 1 45 . GLU . 26937 1 46 . PHE . 26937 1 47 . VAL . 26937 1 48 . ALA . 26937 1 49 . SER . 26937 1 50 . ILE . 26937 1 51 . THR . 26937 1 52 . TRP . 26937 1 53 . SER . 26937 1 54 . GLY . 26937 1 55 . ILE . 26937 1 56 . ASP . 26937 1 57 . PRO . 26937 1 58 . THR . 26937 1 59 . TYR . 26937 1 60 . ALA . 26937 1 61 . ASP . 26937 1 62 . SER . 26937 1 63 . VAL . 26937 1 64 . ALA . 26937 1 65 . ASP . 26937 1 66 . ARG . 26937 1 67 . PHE . 26937 1 68 . THR . 26937 1 69 . THR . 26937 1 70 . SER . 26937 1 71 . ARG . 26937 1 72 . ASP . 26937 1 73 . VAL . 26937 1 74 . ALA . 26937 1 75 . ASN . 26937 1 76 . ASN . 26937 1 77 . THR . 26937 1 78 . LEU . 26937 1 79 . TYR . 26937 1 80 . LEU . 26937 1 81 . GLN . 26937 1 82 . MET . 26937 1 83 . ASN . 26937 1 84 . SER . 26937 1 85 . LEU . 26937 1 86 . LYS . 26937 1 87 . HIS . 26937 1 88 . GLU . 26937 1 89 . ASP . 26937 1 90 . THR . 26937 1 91 . ALA . 26937 1 92 . VAL . 26937 1 93 . TYR . 26937 1 94 . TYR . 26937 1 95 . CYS . 26937 1 96 . ALA . 26937 1 97 . ALA . 26937 1 98 . ARG . 26937 1 99 . ALA . 26937 1 100 . PRO . 26937 1 101 . VAL . 26937 1 102 . GLY . 26937 1 103 . GLN . 26937 1 104 . SER . 26937 1 105 . SER . 26937 1 106 . SER . 26937 1 107 . PRO . 26937 1 108 . TYR . 26937 1 109 . ASP . 26937 1 110 . TYR . 26937 1 111 . ASP . 26937 1 112 . TYR . 26937 1 113 . TRP . 26937 1 114 . GLY . 26937 1 115 . GLN . 26937 1 116 . GLY . 26937 1 117 . THR . 26937 1 118 . GLN . 26937 1 119 . VAL . 26937 1 120 . THR . 26937 1 121 . VAL . 26937 1 122 . SER . 26937 1 123 . SER . 26937 1 124 . LEU . 26937 1 125 . GLU . 26937 1 126 . VAL . 26937 1 127 . LEU . 26937 1 128 . PHE . 26937 1 129 . GLN . 26937 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 26937 1 . GLN 2 2 26937 1 . VAL 3 3 26937 1 . GLN 4 4 26937 1 . LEU 5 5 26937 1 . VAL 6 6 26937 1 . GLU 7 7 26937 1 . SER 8 8 26937 1 . GLY 9 9 26937 1 . GLY 10 10 26937 1 . GLY 11 11 26937 1 . LEU 12 12 26937 1 . VAL 13 13 26937 1 . ARG 14 14 26937 1 . PRO 15 15 26937 1 . GLY 16 16 26937 1 . GLY 17 17 26937 1 . SER 18 18 26937 1 . LEU 19 19 26937 1 . ARG 20 20 26937 1 . LEU 21 21 26937 1 . SER 22 22 26937 1 . CYS 23 23 26937 1 . VAL 24 24 26937 1 . ASP 25 25 26937 1 . SER 26 26 26937 1 . GLU 27 27 26937 1 . ARG 28 28 26937 1 . THR 29 29 26937 1 . SER 30 30 26937 1 . TYR 31 31 26937 1 . PRO 32 32 26937 1 . MET 33 33 26937 1 . GLY 34 34 26937 1 . TRP 35 35 26937 1 . PHE 36 36 26937 1 . ARG 37 37 26937 1 . ARG 38 38 26937 1 . ALA 39 39 26937 1 . PRO 40 40 26937 1 . GLY 41 41 26937 1 . LYS 42 42 26937 1 . GLU 43 43 26937 1 . ARG 44 44 26937 1 . GLU 45 45 26937 1 . PHE 46 46 26937 1 . VAL 47 47 26937 1 . ALA 48 48 26937 1 . SER 49 49 26937 1 . ILE 50 50 26937 1 . THR 51 51 26937 1 . TRP 52 52 26937 1 . SER 53 53 26937 1 . GLY 54 54 26937 1 . ILE 55 55 26937 1 . ASP 56 56 26937 1 . PRO 57 57 26937 1 . THR 58 58 26937 1 . TYR 59 59 26937 1 . ALA 60 60 26937 1 . ASP 61 61 26937 1 . SER 62 62 26937 1 . VAL 63 63 26937 1 . ALA 64 64 26937 1 . ASP 65 65 26937 1 . ARG 66 66 26937 1 . PHE 67 67 26937 1 . THR 68 68 26937 1 . THR 69 69 26937 1 . SER 70 70 26937 1 . ARG 71 71 26937 1 . ASP 72 72 26937 1 . VAL 73 73 26937 1 . ALA 74 74 26937 1 . ASN 75 75 26937 1 . ASN 76 76 26937 1 . THR 77 77 26937 1 . LEU 78 78 26937 1 . TYR 79 79 26937 1 . LEU 80 80 26937 1 . GLN 81 81 26937 1 . MET 82 82 26937 1 . ASN 83 83 26937 1 . SER 84 84 26937 1 . LEU 85 85 26937 1 . LYS 86 86 26937 1 . HIS 87 87 26937 1 . GLU 88 88 26937 1 . ASP 89 89 26937 1 . THR 90 90 26937 1 . ALA 91 91 26937 1 . VAL 92 92 26937 1 . TYR 93 93 26937 1 . TYR 94 94 26937 1 . CYS 95 95 26937 1 . ALA 96 96 26937 1 . ALA 97 97 26937 1 . ARG 98 98 26937 1 . ALA 99 99 26937 1 . PRO 100 100 26937 1 . VAL 101 101 26937 1 . GLY 102 102 26937 1 . GLN 103 103 26937 1 . SER 104 104 26937 1 . SER 105 105 26937 1 . SER 106 106 26937 1 . PRO 107 107 26937 1 . TYR 108 108 26937 1 . ASP 109 109 26937 1 . TYR 110 110 26937 1 . ASP 111 111 26937 1 . TYR 112 112 26937 1 . TRP 113 113 26937 1 . GLY 114 114 26937 1 . GLN 115 115 26937 1 . GLY 116 116 26937 1 . THR 117 117 26937 1 . GLN 118 118 26937 1 . VAL 119 119 26937 1 . THR 120 120 26937 1 . VAL 121 121 26937 1 . SER 122 122 26937 1 . SER 123 123 26937 1 . LEU 124 124 26937 1 . GLU 125 125 26937 1 . VAL 126 126 26937 1 . LEU 127 127 26937 1 . PHE 128 128 26937 1 . GLN 129 129 26937 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 26937 _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 $Nb39 . 9844 organism . 'Lama Glama' Llama . . Eukaryota Metazoa Lama Glama . . . . . . . . . . . . . 26937 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 26937 _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 $Nb39 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pMalp2x . . . 26937 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26937 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Nb39 '[U-99% 13C; U-99% 15N]' . . 1 $Nb39 . . 1.3 . . mM . . . . 26937 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26937 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26937 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26937 1 5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 26937 1 6 LMNG 'natural abundance' . . . . . . 0.01 . . % . . . . 26937 1 7 'Cholesteryl Hemisuccinate' 'natural abundance' . . . . . . 0.001 . . % . . . . 26937 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 26937 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 40 . mM 26937 1 pH 6.8 . pH 26937 1 pressure 1 . atm 26937 1 temperature 298 . K 26937 1 stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 26937 _Software.ID 1 _Software.Name GIFA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delsuc . . 26937 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26937 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26937 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26937 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26937 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26937 _Software.ID 3 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26937 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26937 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26937 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26937 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26937 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 26937 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26937 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26937 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 26937 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26937 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26937 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26937 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 26937 1 2 '3D HNCO' . . . 26937 1 3 '3D HBHA(CO)NH' . . . 26937 1 4 '3D CBCA(CO)NH' . . . 26937 1 5 '3D HNCA' . . . 26937 1 6 '3D HN(CO)CA' . . . 26937 1 7 '3D 1H-15N NOESY' . . . 26937 1 8 '3D HCCH-TOCSY' . . . 26937 1 9 '2D 1H-13C HSQC aliphatic' . . . 26937 1 10 '3D 1H-15N TOCSY' . . . 26937 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 SER H H 1 8.157 0.01 . 1 . . . . 1 SER H . 26937 1 2 . 1 1 1 1 SER HA H 1 4.476 0.010 . 1 . . . . 1 SER HA . 26937 1 3 . 1 1 1 1 SER C C 13 174.250 0.010 . 1 . . . . 1 SER C . 26937 1 4 . 1 1 1 1 SER CA C 13 58.550 0.010 . 1 . . . . 1 SER CA . 26937 1 5 . 1 1 1 1 SER CB C 13 63.940 0.010 . 1 . . . . 1 SER CB . 26937 1 6 . 1 1 1 1 SER N N 15 115.711 0.010 . 1 . . . . 1 SER N . 26937 1 7 . 1 1 2 2 GLN H H 1 8.432 0.010 . 1 . . . . 2 GLN H . 26937 1 8 . 1 1 2 2 GLN HA H 1 4.390 0.010 . 1 . . . . 2 GLN HA . 26937 1 9 . 1 1 2 2 GLN HE21 H 1 7.529 0.01 . 1 . . . . 2 GLN HE21 . 26937 1 10 . 1 1 2 2 GLN HE22 H 1 6.982 0.01 . 1 . . . . 2 GLN HE22 . 26937 1 11 . 1 1 2 2 GLN C C 13 175.240 0.010 . 1 . . . . 2 GLN C . 26937 1 12 . 1 1 2 2 GLN CA C 13 55.700 0.010 . 1 . . . . 2 GLN CA . 26937 1 13 . 1 1 2 2 GLN CB C 13 29.920 0.010 . 1 . . . . 2 GLN CB . 26937 1 14 . 1 1 2 2 GLN N N 15 122.197 0.010 . 1 . . . . 2 GLN N . 26937 1 15 . 1 1 2 2 GLN NE2 N 15 112.544 0.001 . 1 . . . . 2 GLN NE2 . 26937 1 16 . 1 1 3 3 VAL H H 1 7.832 0.010 . 1 . . . . 3 VAL H . 26937 1 17 . 1 1 3 3 VAL HA H 1 3.824 0.010 . 1 . . . . 3 VAL HA . 26937 1 18 . 1 1 3 3 VAL C C 13 175.710 0.010 . 1 . . . . 3 VAL C . 26937 1 19 . 1 1 3 3 VAL CA C 13 62.440 0.010 . 1 . . . . 3 VAL CA . 26937 1 20 . 1 1 3 3 VAL CB C 13 33.330 0.010 . 1 . . . . 3 VAL CB . 26937 1 21 . 1 1 3 3 VAL N N 15 122.393 0.010 . 1 . . . . 3 VAL N . 26937 1 22 . 1 1 4 4 GLN H H 1 8.809 0.010 . 1 . . . . 4 GLN H . 26937 1 23 . 1 1 4 4 GLN HA H 1 4.474 0.010 . 1 . . . . 4 GLN HA . 26937 1 24 . 1 1 4 4 GLN HE21 H 1 7.432 0.01 . 1 . . . . 4 GLN HE21 . 26937 1 25 . 1 1 4 4 GLN HE22 H 1 6.758 0.01 . 1 . . . . 4 GLN HE22 . 26937 1 26 . 1 1 4 4 GLN C C 13 173.910 0.010 . 1 . . . . 4 GLN C . 26937 1 27 . 1 1 4 4 GLN CA C 13 54.600 0.010 . 1 . . . . 4 GLN CA . 26937 1 28 . 1 1 4 4 GLN CB C 13 29.770 0.010 . 1 . . . . 4 GLN CB . 26937 1 29 . 1 1 4 4 GLN N N 15 128.805 0.010 . 1 . . . . 4 GLN N . 26937 1 30 . 1 1 4 4 GLN NE2 N 15 111.963 0.005 . 1 . . . . 4 GLN NE2 . 26937 1 31 . 1 1 5 5 LEU H H 1 8.228 0.010 . 1 . . . . 5 LEU H . 26937 1 32 . 1 1 5 5 LEU HA H 1 4.586 0.010 . 1 . . . . 5 LEU HA . 26937 1 33 . 1 1 5 5 LEU C C 13 176.980 0.010 . 1 . . . . 5 LEU C . 26937 1 34 . 1 1 5 5 LEU CA C 13 54.070 0.010 . 1 . . . . 5 LEU CA . 26937 1 35 . 1 1 5 5 LEU CB C 13 42.520 0.010 . 1 . . . . 5 LEU CB . 26937 1 36 . 1 1 5 5 LEU N N 15 124.884 0.010 . 1 . . . . 5 LEU N . 26937 1 37 . 1 1 6 6 VAL H H 1 8.693 0.010 . 1 . . . . 6 VAL H . 26937 1 38 . 1 1 6 6 VAL HA H 1 4.279 0.010 . 1 . . . . 6 VAL HA . 26937 1 39 . 1 1 6 6 VAL C C 13 176.560 0.010 . 1 . . . . 6 VAL C . 26937 1 40 . 1 1 6 6 VAL CA C 13 62.860 0.010 . 1 . . . . 6 VAL CA . 26937 1 41 . 1 1 6 6 VAL CB C 13 33.250 0.010 . 1 . . . . 6 VAL CB . 26937 1 42 . 1 1 6 6 VAL N N 15 124.862 0.010 . 1 . . . . 6 VAL N . 26937 1 43 . 1 1 7 7 GLU H H 1 9.038 0.010 . 1 . . . . 7 GLU H . 26937 1 44 . 1 1 7 7 GLU HA H 1 5.522 0.010 . 1 . . . . 7 GLU HA . 26937 1 45 . 1 1 7 7 GLU C C 13 176.520 0.010 . 1 . . . . 7 GLU C . 26937 1 46 . 1 1 7 7 GLU CA C 13 55.410 0.010 . 1 . . . . 7 GLU CA . 26937 1 47 . 1 1 7 7 GLU CB C 13 32.390 0.010 . 1 . . . . 7 GLU CB . 26937 1 48 . 1 1 7 7 GLU N N 15 130.655 0.010 . 1 . . . . 7 GLU N . 26937 1 49 . 1 1 8 8 SER H H 1 9.064 0.010 . 1 . . . . 8 SER H . 26937 1 50 . 1 1 8 8 SER HA H 1 4.906 0.010 . 1 . . . . 8 SER HA . 26937 1 51 . 1 1 8 8 SER C C 13 173.580 0.010 . 1 . . . . 8 SER C . 26937 1 52 . 1 1 8 8 SER CA C 13 57.650 0.010 . 1 . . . . 8 SER CA . 26937 1 53 . 1 1 8 8 SER CB C 13 65.590 0.010 . 1 . . . . 8 SER CB . 26937 1 54 . 1 1 8 8 SER N N 15 116.037 0.010 . 1 . . . . 8 SER N . 26937 1 55 . 1 1 9 9 GLY H H 1 8.434 0.010 . 1 . . . . 9 GLY H . 26937 1 56 . 1 1 9 9 GLY HA2 H 1 4.782 0.010 . 2 . . . . 9 GLY HA2 . 26937 1 57 . 1 1 9 9 GLY HA3 H 1 3.737 0.010 . 2 . . . . 9 GLY HA3 . 26937 1 58 . 1 1 9 9 GLY C C 13 174.990 0.010 . 1 . . . . 9 GLY C . 26937 1 59 . 1 1 9 9 GLY CA C 13 45.060 0.010 . 1 . . . . 9 GLY CA . 26937 1 60 . 1 1 9 9 GLY N N 15 108.368 0.010 . 1 . . . . 9 GLY N . 26937 1 61 . 1 1 10 10 GLY H H 1 7.764 0.010 . 1 . . . . 10 GLY H . 26937 1 62 . 1 1 10 10 GLY HA2 H 1 3.878 0.010 . 2 . . . . 10 GLY HA2 . 26937 1 63 . 1 1 10 10 GLY HA3 H 1 3.584 0.010 . 2 . . . . 10 GLY HA3 . 26937 1 64 . 1 1 10 10 GLY C C 13 172.840 0.010 . 1 . . . . 10 GLY C . 26937 1 65 . 1 1 10 10 GLY CA C 13 45.140 0.010 . 1 . . . . 10 GLY CA . 26937 1 66 . 1 1 10 10 GLY N N 15 105.310 0.010 . 1 . . . . 10 GLY N . 26937 1 67 . 1 1 11 11 GLY H H 1 7.593 0.010 . 1 . . . . 11 GLY H . 26937 1 68 . 1 1 11 11 GLY HA2 H 1 4.297 0.010 . 2 . . . . 11 GLY HA2 . 26937 1 69 . 1 1 11 11 GLY HA3 H 1 3.834 0.010 . 2 . . . . 11 GLY HA3 . 26937 1 70 . 1 1 11 11 GLY C C 13 170.880 0.010 . 1 . . . . 11 GLY C . 26937 1 71 . 1 1 11 11 GLY CA C 13 44.930 0.010 . 1 . . . . 11 GLY CA . 26937 1 72 . 1 1 11 11 GLY N N 15 106.927 0.010 . 1 . . . . 11 GLY N . 26937 1 73 . 1 1 12 12 LEU H H 1 8.054 0.010 . 1 . . . . 12 LEU H . 26937 1 74 . 1 1 12 12 LEU HA H 1 5.274 0.010 . 1 . . . . 12 LEU HA . 26937 1 75 . 1 1 12 12 LEU C C 13 176.750 0.010 . 1 . . . . 12 LEU C . 26937 1 76 . 1 1 12 12 LEU CA C 13 54.350 0.010 . 1 . . . . 12 LEU CA . 26937 1 77 . 1 1 12 12 LEU CB C 13 43.810 0.010 . 1 . . . . 12 LEU CB . 26937 1 78 . 1 1 12 12 LEU N N 15 122.999 0.010 . 1 . . . . 12 LEU N . 26937 1 79 . 1 1 13 13 VAL H H 1 8.994 0.010 . 1 . . . . 13 VAL H . 26937 1 80 . 1 1 13 13 VAL HA H 1 4.531 0.010 . 1 . . . . 13 VAL HA . 26937 1 81 . 1 1 13 13 VAL C C 13 172.770 0.010 . 1 . . . . 13 VAL C . 26937 1 82 . 1 1 13 13 VAL CA C 13 59.490 0.010 . 1 . . . . 13 VAL CA . 26937 1 83 . 1 1 13 13 VAL CB C 13 35.620 0.010 . 1 . . . . 13 VAL CB . 26937 1 84 . 1 1 13 13 VAL N N 15 123.564 0.010 . 1 . . . . 13 VAL N . 26937 1 85 . 1 1 14 14 ARG H H 1 8.028 0.010 . 1 . . . . 14 ARG H . 26937 1 86 . 1 1 14 14 ARG HA H 1 4.792 0.010 . 1 . . . . 14 ARG HA . 26937 1 87 . 1 1 14 14 ARG C C 13 174.280 0.010 . 1 . . . . 14 ARG C . 26937 1 88 . 1 1 14 14 ARG CA C 13 53.770 0.010 . 1 . . . . 14 ARG CA . 26937 1 89 . 1 1 14 14 ARG N N 15 122.631 0.010 . 1 . . . . 14 ARG N . 26937 1 90 . 1 1 15 15 PRO HA H 1 3.837 0.010 . 1 . . . . 15 PRO HA . 26937 1 91 . 1 1 15 15 PRO C C 13 177.860 0.010 . 1 . . . . 15 PRO C . 26937 1 92 . 1 1 15 15 PRO CA C 13 63.670 0.010 . 1 . . . . 15 PRO CA . 26937 1 93 . 1 1 15 15 PRO CB C 13 31.030 0.010 . 1 . . . . 15 PRO CB . 26937 1 94 . 1 1 16 16 GLY H H 1 9.812 0.010 . 1 . . . . 16 GLY H . 26937 1 95 . 1 1 16 16 GLY HA2 H 1 4.370 0.010 . 2 . . . . 16 GLY HA2 . 26937 1 96 . 1 1 16 16 GLY HA3 H 1 3.518 0.010 . 2 . . . . 16 GLY HA3 . 26937 1 97 . 1 1 16 16 GLY C C 13 175.210 0.010 . 1 . . . . 16 GLY C . 26937 1 98 . 1 1 16 16 GLY CA C 13 45.110 0.010 . 1 . . . . 16 GLY CA . 26937 1 99 . 1 1 16 16 GLY N N 15 114.380 0.010 . 1 . . . . 16 GLY N . 26937 1 100 . 1 1 17 17 GLY H H 1 8.338 0.010 . 1 . . . . 17 GLY H . 26937 1 101 . 1 1 17 17 GLY HA2 H 1 4.272 0.010 . 2 . . . . 17 GLY HA2 . 26937 1 102 . 1 1 17 17 GLY HA3 H 1 3.704 0.010 . 2 . . . . 17 GLY HA3 . 26937 1 103 . 1 1 17 17 GLY C C 13 170.470 0.010 . 1 . . . . 17 GLY C . 26937 1 104 . 1 1 17 17 GLY CA C 13 44.640 0.010 . 1 . . . . 17 GLY CA . 26937 1 105 . 1 1 17 17 GLY N N 15 109.346 0.010 . 1 . . . . 17 GLY N . 26937 1 106 . 1 1 18 18 SER H H 1 7.833 0.010 . 1 . . . . 18 SER H . 26937 1 107 . 1 1 18 18 SER HA H 1 5.546 0.010 . 1 . . . . 18 SER HA . 26937 1 108 . 1 1 18 18 SER C C 13 173.070 0.010 . 1 . . . . 18 SER C . 26937 1 109 . 1 1 18 18 SER CA C 13 55.840 0.010 . 1 . . . . 18 SER CA . 26937 1 110 . 1 1 18 18 SER CB C 13 67.270 0.010 . 1 . . . . 18 SER CB . 26937 1 111 . 1 1 18 18 SER N N 15 109.531 0.010 . 1 . . . . 18 SER N . 26937 1 112 . 1 1 19 19 LEU H H 1 8.377 0.010 . 1 . . . . 19 LEU H . 26937 1 113 . 1 1 19 19 LEU HA H 1 4.386 0.010 . 1 . . . . 19 LEU HA . 26937 1 114 . 1 1 19 19 LEU C C 13 173.670 0.010 . 1 . . . . 19 LEU C . 26937 1 115 . 1 1 19 19 LEU CA C 13 54.490 0.010 . 1 . . . . 19 LEU CA . 26937 1 116 . 1 1 19 19 LEU CB C 13 47.860 0.010 . 1 . . . . 19 LEU CB . 26937 1 117 . 1 1 19 19 LEU N N 15 121.777 0.010 . 1 . . . . 19 LEU N . 26937 1 118 . 1 1 20 20 ARG H H 1 8.210 0.010 . 1 . . . . 20 ARG H . 26937 1 119 . 1 1 20 20 ARG HA H 1 5.099 0.010 . 1 . . . . 20 ARG HA . 26937 1 120 . 1 1 20 20 ARG C C 13 175.600 0.010 . 1 . . . . 20 ARG C . 26937 1 121 . 1 1 20 20 ARG CA C 13 54.600 0.010 . 1 . . . . 20 ARG CA . 26937 1 122 . 1 1 20 20 ARG CB C 13 32.900 0.010 . 1 . . . . 20 ARG CB . 26937 1 123 . 1 1 20 20 ARG N N 15 122.270 0.010 . 1 . . . . 20 ARG N . 26937 1 124 . 1 1 21 21 LEU H H 1 8.823 0.010 . 1 . . . . 21 LEU H . 26937 1 125 . 1 1 21 21 LEU HA H 1 5.154 0.010 . 1 . . . . 21 LEU HA . 26937 1 126 . 1 1 21 21 LEU C C 13 177.170 0.010 . 1 . . . . 21 LEU C . 26937 1 127 . 1 1 21 21 LEU CA C 13 53.080 0.010 . 1 . . . . 21 LEU CA . 26937 1 128 . 1 1 21 21 LEU CB C 13 43.930 0.010 . 1 . . . . 21 LEU CB . 26937 1 129 . 1 1 21 21 LEU N N 15 126.850 0.010 . 1 . . . . 21 LEU N . 26937 1 130 . 1 1 22 22 SER H H 1 8.899 0.010 . 1 . . . . 22 SER H . 26937 1 131 . 1 1 22 22 SER HA H 1 5.751 0.010 . 1 . . . . 22 SER HA . 26937 1 132 . 1 1 22 22 SER C C 13 173.700 0.010 . 1 . . . . 22 SER C . 26937 1 133 . 1 1 22 22 SER CA C 13 56.570 0.010 . 1 . . . . 22 SER CA . 26937 1 134 . 1 1 22 22 SER CB C 13 67.760 0.010 . 1 . . . . 22 SER CB . 26937 1 135 . 1 1 22 22 SER N N 15 113.494 0.010 . 1 . . . . 22 SER N . 26937 1 136 . 1 1 23 23 CYS H H 1 9.089 0.010 . 1 . . . . 23 CYS H . 26937 1 137 . 1 1 23 23 CYS HA H 1 5.483 0.010 . 1 . . . . 23 CYS HA . 26937 1 138 . 1 1 23 23 CYS C C 13 171.480 0.010 . 1 . . . . 23 CYS C . 26937 1 139 . 1 1 23 23 CYS CA C 13 53.360 0.010 . 1 . . . . 23 CYS CA . 26937 1 140 . 1 1 23 23 CYS CB C 13 42.650 0.010 . 1 . . . . 23 CYS CB . 26937 1 141 . 1 1 23 23 CYS N N 15 121.184 0.010 . 1 . . . . 23 CYS N . 26937 1 142 . 1 1 24 24 VAL H H 1 8.393 0.010 . 1 . . . . 24 VAL H . 26937 1 143 . 1 1 24 24 VAL HA H 1 4.925 0.010 . 1 . . . . 24 VAL HA . 26937 1 144 . 1 1 24 24 VAL C C 13 173.290 0.010 . 1 . . . . 24 VAL C . 26937 1 145 . 1 1 24 24 VAL CA C 13 59.700 0.010 . 1 . . . . 24 VAL CA . 26937 1 146 . 1 1 24 24 VAL CB C 13 36.520 0.010 . 1 . . . . 24 VAL CB . 26937 1 147 . 1 1 24 24 VAL N N 15 124.634 0.010 . 1 . . . . 24 VAL N . 26937 1 148 . 1 1 25 25 ASP H H 1 6.572 0.010 . 1 . . . . 25 ASP H . 26937 1 149 . 1 1 25 25 ASP HA H 1 5.189 0.010 . 1 . . . . 25 ASP HA . 26937 1 150 . 1 1 25 25 ASP C C 13 179.330 0.010 . 1 . . . . 25 ASP C . 26937 1 151 . 1 1 25 25 ASP CA C 13 52.960 0.010 . 1 . . . . 25 ASP CA . 26937 1 152 . 1 1 25 25 ASP CB C 13 41.550 0.010 . 1 . . . . 25 ASP CB . 26937 1 153 . 1 1 25 25 ASP N N 15 121.250 0.010 . 1 . . . . 25 ASP N . 26937 1 154 . 1 1 26 26 SER H H 1 9.574 0.010 . 1 . . . . 26 SER H . 26937 1 155 . 1 1 26 26 SER HA H 1 4.257 0.010 . 1 . . . . 26 SER HA . 26937 1 156 . 1 1 26 26 SER C C 13 175.730 0.010 . 1 . . . . 26 SER C . 26937 1 157 . 1 1 26 26 SER CA C 13 61.280 0.010 . 1 . . . . 26 SER CA . 26937 1 158 . 1 1 26 26 SER CB C 13 63.160 0.010 . 1 . . . . 26 SER CB . 26937 1 159 . 1 1 26 26 SER N N 15 123.557 0.010 . 1 . . . . 26 SER N . 26937 1 160 . 1 1 27 27 GLU H H 1 8.261 0.010 . 1 . . . . 27 GLU H . 26937 1 161 . 1 1 27 27 GLU HA H 1 4.378 0.010 . 1 . . . . 27 GLU HA . 26937 1 162 . 1 1 27 27 GLU C C 13 176.440 0.010 . 1 . . . . 27 GLU C . 26937 1 163 . 1 1 27 27 GLU CA C 13 56.390 0.010 . 1 . . . . 27 GLU CA . 26937 1 164 . 1 1 27 27 GLU CB C 13 30.050 0.010 . 1 . . . . 27 GLU CB . 26937 1 165 . 1 1 27 27 GLU N N 15 119.967 0.010 . 1 . . . . 27 GLU N . 26937 1 166 . 1 1 28 28 ARG H H 1 7.843 0.010 . 1 . . . . 28 ARG H . 26937 1 167 . 1 1 28 28 ARG HA H 1 3.595 0.010 . 1 . . . . 28 ARG HA . 26937 1 168 . 1 1 28 28 ARG C C 13 174.640 0.010 . 1 . . . . 28 ARG C . 26937 1 169 . 1 1 28 28 ARG CA C 13 57.980 0.010 . 1 . . . . 28 ARG CA . 26937 1 170 . 1 1 28 28 ARG CB C 13 26.990 0.010 . 1 . . . . 28 ARG CB . 26937 1 171 . 1 1 28 28 ARG N N 15 112.814 0.010 . 1 . . . . 28 ARG N . 26937 1 172 . 1 1 29 29 THR H H 1 7.728 0.010 . 1 . . . . 29 THR H . 26937 1 173 . 1 1 29 29 THR HA H 1 4.029 0.010 . 1 . . . . 29 THR HA . 26937 1 174 . 1 1 29 29 THR C C 13 172.710 0.010 . 1 . . . . 29 THR C . 26937 1 175 . 1 1 29 29 THR CA C 13 62.330 0.010 . 1 . . . . 29 THR CA . 26937 1 176 . 1 1 29 29 THR CB C 13 68.720 0.010 . 1 . . . . 29 THR CB . 26937 1 177 . 1 1 29 29 THR N N 15 108.724 0.010 . 1 . . . . 29 THR N . 26937 1 178 . 1 1 30 30 SER H H 1 7.760 0.010 . 1 . . . . 30 SER H . 26937 1 179 . 1 1 30 30 SER HA H 1 4.301 0.010 . 1 . . . . 30 SER HA . 26937 1 180 . 1 1 30 30 SER C C 13 172.500 0.010 . 1 . . . . 30 SER C . 26937 1 181 . 1 1 30 30 SER CA C 13 57.630 0.010 . 1 . . . . 30 SER CA . 26937 1 182 . 1 1 30 30 SER CB C 13 64.140 0.010 . 1 . . . . 30 SER CB . 26937 1 183 . 1 1 30 30 SER N N 15 115.629 0.010 . 1 . . . . 30 SER N . 26937 1 184 . 1 1 31 31 TYR H H 1 8.992 0.010 . 1 . . . . 31 TYR H . 26937 1 185 . 1 1 31 31 TYR HA H 1 5.467 0.010 . 1 . . . . 31 TYR HA . 26937 1 186 . 1 1 31 31 TYR C C 13 174.860 0.010 . 1 . . . . 31 TYR C . 26937 1 187 . 1 1 31 31 TYR CA C 13 53.110 0.010 . 1 . . . . 31 TYR CA . 26937 1 188 . 1 1 31 31 TYR N N 15 116.513 0.010 . 1 . . . . 31 TYR N . 26937 1 189 . 1 1 32 32 PRO HA H 1 4.096 0.010 . 1 . . . . 32 PRO HA . 26937 1 190 . 1 1 32 32 PRO C C 13 176.500 0.010 . 1 . . . . 32 PRO C . 26937 1 191 . 1 1 32 32 PRO CA C 13 63.890 0.010 . 1 . . . . 32 PRO CA . 26937 1 192 . 1 1 32 32 PRO CB C 13 32.890 0.010 . 1 . . . . 32 PRO CB . 26937 1 193 . 1 1 33 33 MET H H 1 8.804 0.010 . 1 . . . . 33 MET H . 26937 1 194 . 1 1 33 33 MET HA H 1 4.478 0.010 . 1 . . . . 33 MET HA . 26937 1 195 . 1 1 33 33 MET C C 13 172.330 0.010 . 1 . . . . 33 MET C . 26937 1 196 . 1 1 33 33 MET CA C 13 57.550 0.010 . 1 . . . . 33 MET CA . 26937 1 197 . 1 1 33 33 MET CB C 13 41.370 0.010 . 1 . . . . 33 MET CB . 26937 1 198 . 1 1 33 33 MET N N 15 126.846 0.010 . 1 . . . . 33 MET N . 26937 1 199 . 1 1 34 34 GLY H H 1 7.843 0.010 . 1 . . . . 34 GLY H . 26937 1 200 . 1 1 34 34 GLY HA2 H 1 4.965 0.010 . 2 . . . . 34 GLY HA2 . 26937 1 201 . 1 1 34 34 GLY HA3 H 1 3.246 0.010 . 2 . . . . 34 GLY HA3 . 26937 1 202 . 1 1 34 34 GLY C C 13 169.610 0.010 . 1 . . . . 34 GLY C . 26937 1 203 . 1 1 34 34 GLY CA C 13 44.530 0.010 . 1 . . . . 34 GLY CA . 26937 1 204 . 1 1 34 34 GLY N N 15 106.863 0.010 . 1 . . . . 34 GLY N . 26937 1 205 . 1 1 35 35 TRP H H 1 9.131 0.010 . 1 . . . . 35 TRP H . 26937 1 206 . 1 1 35 35 TRP HA H 1 5.798 0.010 . 1 . . . . 35 TRP HA . 26937 1 207 . 1 1 35 35 TRP HE1 H 1 7.731 0.01 . 1 . . . . 35 TRP HE1 . 26937 1 208 . 1 1 35 35 TRP C C 13 174.990 0.010 . 1 . . . . 35 TRP C . 26937 1 209 . 1 1 35 35 TRP CA C 13 55.590 0.010 . 1 . . . . 35 TRP CA . 26937 1 210 . 1 1 35 35 TRP CB C 13 33.950 0.010 . 1 . . . . 35 TRP CB . 26937 1 211 . 1 1 35 35 TRP N N 15 115.588 0.010 . 1 . . . . 35 TRP N . 26937 1 212 . 1 1 35 35 TRP NE1 N 15 124.077 0.1 . 1 . . . . 35 TRP NE1 . 26937 1 213 . 1 1 36 36 PHE H H 1 9.658 0.010 . 1 . . . . 36 PHE H . 26937 1 214 . 1 1 36 36 PHE HA H 1 5.294 0.010 . 1 . . . . 36 PHE HA . 26937 1 215 . 1 1 36 36 PHE C C 13 174.570 0.010 . 1 . . . . 36 PHE C . 26937 1 216 . 1 1 36 36 PHE CA C 13 56.250 0.010 . 1 . . . . 36 PHE CA . 26937 1 217 . 1 1 36 36 PHE CB C 13 44.580 0.010 . 1 . . . . 36 PHE CB . 26937 1 218 . 1 1 36 36 PHE N N 15 122.239 0.010 . 1 . . . . 36 PHE N . 26937 1 219 . 1 1 37 37 ARG H H 1 9.871 0.010 . 1 . . . . 37 ARG H . 26937 1 220 . 1 1 37 37 ARG HA H 1 5.881 0.010 . 1 . . . . 37 ARG HA . 26937 1 221 . 1 1 37 37 ARG C C 13 173.560 0.010 . 1 . . . . 37 ARG C . 26937 1 222 . 1 1 37 37 ARG CA C 13 54.470 0.010 . 1 . . . . 37 ARG CA . 26937 1 223 . 1 1 37 37 ARG CB C 13 32.480 0.010 . 1 . . . . 37 ARG CB . 26937 1 224 . 1 1 37 37 ARG N N 15 116.600 0.010 . 1 . . . . 37 ARG N . 26937 1 225 . 1 1 38 38 ARG H H 1 9.402 0.010 . 1 . . . . 38 ARG H . 26937 1 226 . 1 1 38 38 ARG HA H 1 4.890 0.010 . 1 . . . . 38 ARG HA . 26937 1 227 . 1 1 38 38 ARG C C 13 175.120 0.010 . 1 . . . . 38 ARG C . 26937 1 228 . 1 1 38 38 ARG CA C 13 55.790 0.010 . 1 . . . . 38 ARG CA . 26937 1 229 . 1 1 38 38 ARG CB C 13 35.470 0.010 . 1 . . . . 38 ARG CB . 26937 1 230 . 1 1 38 38 ARG N N 15 121.386 0.010 . 1 . . . . 38 ARG N . 26937 1 231 . 1 1 39 39 ALA H H 1 9.656 0.010 . 1 . . . . 39 ALA H . 26937 1 232 . 1 1 39 39 ALA HA H 1 4.904 0.010 . 1 . . . . 39 ALA HA . 26937 1 233 . 1 1 39 39 ALA C C 13 174.410 0.010 . 1 . . . . 39 ALA C . 26937 1 234 . 1 1 39 39 ALA CA C 13 50.310 0.010 . 1 . . . . 39 ALA CA . 26937 1 235 . 1 1 39 39 ALA N N 15 136.952 0.010 . 1 . . . . 39 ALA N . 26937 1 236 . 1 1 41 41 GLY HA2 H 1 4.114 0.010 . 2 . . . . 41 GLY HA2 . 26937 1 237 . 1 1 41 41 GLY HA3 H 1 3.762 0.010 . 2 . . . . 41 GLY HA3 . 26937 1 238 . 1 1 41 41 GLY C C 13 174.150 0.010 . 1 . . . . 41 GLY C . 26937 1 239 . 1 1 41 41 GLY CA C 13 45.860 0.010 . 1 . . . . 41 GLY CA . 26937 1 240 . 1 1 42 42 LYS H H 1 7.933 0.010 . 1 . . . . 42 LYS H . 26937 1 241 . 1 1 42 42 LYS HA H 1 4.791 0.010 . 1 . . . . 42 LYS HA . 26937 1 242 . 1 1 42 42 LYS C C 13 176.080 0.010 . 1 . . . . 42 LYS C . 26937 1 243 . 1 1 42 42 LYS CA C 13 54.600 0.010 . 1 . . . . 42 LYS CA . 26937 1 244 . 1 1 42 42 LYS CB C 13 35.460 0.010 . 1 . . . . 42 LYS CB . 26937 1 245 . 1 1 42 42 LYS N N 15 120.183 0.010 . 1 . . . . 42 LYS N . 26937 1 246 . 1 1 43 43 GLU H H 1 8.201 0.010 . 1 . . . . 43 GLU H . 26937 1 247 . 1 1 43 43 GLU HA H 1 4.398 0.010 . 1 . . . . 43 GLU HA . 26937 1 248 . 1 1 43 43 GLU C C 13 176.740 0.010 . 1 . . . . 43 GLU C . 26937 1 249 . 1 1 43 43 GLU CA C 13 55.400 0.010 . 1 . . . . 43 GLU CA . 26937 1 250 . 1 1 43 43 GLU CB C 13 30.940 0.010 . 1 . . . . 43 GLU CB . 26937 1 251 . 1 1 43 43 GLU N N 15 118.053 0.010 . 1 . . . . 43 GLU N . 26937 1 252 . 1 1 44 44 ARG H H 1 8.731 0.010 . 1 . . . . 44 ARG H . 26937 1 253 . 1 1 44 44 ARG HA H 1 4.524 0.010 . 1 . . . . 44 ARG HA . 26937 1 254 . 1 1 44 44 ARG C C 13 175.650 0.010 . 1 . . . . 44 ARG C . 26937 1 255 . 1 1 44 44 ARG CA C 13 57.480 0.010 . 1 . . . . 44 ARG CA . 26937 1 256 . 1 1 44 44 ARG CB C 13 31.000 0.010 . 1 . . . . 44 ARG CB . 26937 1 257 . 1 1 44 44 ARG N N 15 122.006 0.010 . 1 . . . . 44 ARG N . 26937 1 258 . 1 1 45 45 GLU H H 1 9.834 0.010 . 1 . . . . 45 GLU H . 26937 1 259 . 1 1 45 45 GLU HA H 1 5.132 0.010 . 1 . . . . 45 GLU HA . 26937 1 260 . 1 1 45 45 GLU C C 13 175.210 0.010 . 1 . . . . 45 GLU C . 26937 1 261 . 1 1 45 45 GLU CA C 13 54.140 0.010 . 1 . . . . 45 GLU CA . 26937 1 262 . 1 1 45 45 GLU CB C 13 34.000 0.010 . 1 . . . . 45 GLU CB . 26937 1 263 . 1 1 45 45 GLU N N 15 125.417 0.010 . 1 . . . . 45 GLU N . 26937 1 264 . 1 1 46 46 PHE H H 1 8.949 0.010 . 1 . . . . 46 PHE H . 26937 1 265 . 1 1 46 46 PHE HA H 1 3.575 0.010 . 1 . . . . 46 PHE HA . 26937 1 266 . 1 1 46 46 PHE C C 13 174.000 0.010 . 1 . . . . 46 PHE C . 26937 1 267 . 1 1 46 46 PHE CA C 13 59.620 0.010 . 1 . . . . 46 PHE CA . 26937 1 268 . 1 1 46 46 PHE CB C 13 39.860 0.010 . 1 . . . . 46 PHE CB . 26937 1 269 . 1 1 46 46 PHE N N 15 124.826 0.010 . 1 . . . . 46 PHE N . 26937 1 270 . 1 1 47 47 VAL H H 1 7.370 0.010 . 1 . . . . 47 VAL H . 26937 1 271 . 1 1 47 47 VAL HA H 1 3.840 0.010 . 1 . . . . 47 VAL HA . 26937 1 272 . 1 1 47 47 VAL C C 13 172.550 0.010 . 1 . . . . 47 VAL C . 26937 1 273 . 1 1 47 47 VAL CA C 13 64.140 0.010 . 1 . . . . 47 VAL CA . 26937 1 274 . 1 1 47 47 VAL CB C 13 33.690 0.010 . 1 . . . . 47 VAL CB . 26937 1 275 . 1 1 47 47 VAL N N 15 125.485 0.010 . 1 . . . . 47 VAL N . 26937 1 276 . 1 1 48 48 ALA H H 1 7.338 0.010 . 1 . . . . 48 ALA H . 26937 1 277 . 1 1 48 48 ALA HA H 1 4.952 0.010 . 1 . . . . 48 ALA HA . 26937 1 278 . 1 1 48 48 ALA C C 13 175.020 0.010 . 1 . . . . 48 ALA C . 26937 1 279 . 1 1 48 48 ALA CA C 13 51.890 0.010 . 1 . . . . 48 ALA CA . 26937 1 280 . 1 1 48 48 ALA CB C 13 23.150 0.010 . 1 . . . . 48 ALA CB . 26937 1 281 . 1 1 48 48 ALA N N 15 116.449 0.010 . 1 . . . . 48 ALA N . 26937 1 282 . 1 1 49 49 SER H H 1 9.113 0.010 . 1 . . . . 49 SER H . 26937 1 283 . 1 1 49 49 SER HA H 1 5.364 0.010 . 1 . . . . 49 SER HA . 26937 1 284 . 1 1 49 49 SER C C 13 171.630 0.010 . 1 . . . . 49 SER C . 26937 1 285 . 1 1 49 49 SER CA C 13 57.600 0.010 . 1 . . . . 49 SER CA . 26937 1 286 . 1 1 49 49 SER CB C 13 67.510 0.010 . 1 . . . . 49 SER CB . 26937 1 287 . 1 1 49 49 SER N N 15 113.264 0.010 . 1 . . . . 49 SER N . 26937 1 288 . 1 1 50 50 ILE H H 1 8.530 0.010 . 1 . . . . 50 ILE H . 26937 1 289 . 1 1 50 50 ILE HA H 1 4.472 0.010 . 1 . . . . 50 ILE HA . 26937 1 290 . 1 1 50 50 ILE C C 13 173.400 0.010 . 1 . . . . 50 ILE C . 26937 1 291 . 1 1 50 50 ILE CA C 13 60.920 0.010 . 1 . . . . 50 ILE CA . 26937 1 292 . 1 1 50 50 ILE CB C 13 42.520 0.010 . 1 . . . . 50 ILE CB . 26937 1 293 . 1 1 50 50 ILE N N 15 118.580 0.010 . 1 . . . . 50 ILE N . 26937 1 294 . 1 1 51 51 THR H H 1 7.095 0.010 . 1 . . . . 51 THR H . 26937 1 295 . 1 1 51 51 THR HA H 1 4.572 0.010 . 1 . . . . 51 THR HA . 26937 1 296 . 1 1 51 51 THR C C 13 177.000 0.010 . 1 . . . . 51 THR C . 26937 1 297 . 1 1 51 51 THR CA C 13 62.180 0.010 . 1 . . . . 51 THR CA . 26937 1 298 . 1 1 51 51 THR CB C 13 71.590 0.010 . 1 . . . . 51 THR CB . 26937 1 299 . 1 1 51 51 THR N N 15 111.987 0.010 . 1 . . . . 51 THR N . 26937 1 300 . 1 1 52 52 TRP H H 1 9.047 0.010 . 1 . . . . 52 TRP H . 26937 1 301 . 1 1 52 52 TRP HA H 1 3.965 0.010 . 1 . . . . 52 TRP HA . 26937 1 302 . 1 1 52 52 TRP HE1 H 1 8.639 0.01 . 1 . . . . 52 TRP HE1 . 26937 1 303 . 1 1 52 52 TRP C C 13 178.000 0.010 . 1 . . . . 52 TRP C . 26937 1 304 . 1 1 52 52 TRP CA C 13 61.420 0.010 . 1 . . . . 52 TRP CA . 26937 1 305 . 1 1 52 52 TRP CB C 13 28.750 0.010 . 1 . . . . 52 TRP CB . 26937 1 306 . 1 1 52 52 TRP N N 15 122.095 0.010 . 1 . . . . 52 TRP N . 26937 1 307 . 1 1 52 52 TRP NE1 N 15 127.218 0.1 . 1 . . . . 52 TRP NE1 . 26937 1 308 . 1 1 53 53 SER H H 1 7.699 0.010 . 1 . . . . 53 SER H . 26937 1 309 . 1 1 53 53 SER HA H 1 3.891 0.010 . 1 . . . . 53 SER HA . 26937 1 310 . 1 1 53 53 SER C C 13 174.900 0.010 . 1 . . . . 53 SER C . 26937 1 311 . 1 1 53 53 SER CA C 13 58.690 0.010 . 1 . . . . 53 SER CA . 26937 1 312 . 1 1 53 53 SER CB C 13 63.130 0.010 . 1 . . . . 53 SER CB . 26937 1 313 . 1 1 53 53 SER N N 15 110.458 0.010 . 1 . . . . 53 SER N . 26937 1 314 . 1 1 54 54 GLY H H 1 8.165 0.010 . 1 . . . . 54 GLY H . 26937 1 315 . 1 1 54 54 GLY HA2 H 1 4.242 0.010 . 2 . . . . 54 GLY HA2 . 26937 1 316 . 1 1 54 54 GLY HA3 H 1 3.462 0.010 . 2 . . . . 54 GLY HA3 . 26937 1 317 . 1 1 54 54 GLY C C 13 173.470 0.010 . 1 . . . . 54 GLY C . 26937 1 318 . 1 1 54 54 GLY CA C 13 46.060 0.010 . 1 . . . . 54 GLY CA . 26937 1 319 . 1 1 54 54 GLY N N 15 108.586 0.010 . 1 . . . . 54 GLY N . 26937 1 320 . 1 1 55 55 ILE H H 1 7.053 0.010 . 1 . . . . 55 ILE H . 26937 1 321 . 1 1 55 55 ILE HA H 1 4.739 0.010 . 1 . . . . 55 ILE HA . 26937 1 322 . 1 1 55 55 ILE C C 13 174.550 0.010 . 1 . . . . 55 ILE C . 26937 1 323 . 1 1 55 55 ILE CA C 13 59.560 0.010 . 1 . . . . 55 ILE CA . 26937 1 324 . 1 1 55 55 ILE CB C 13 41.230 0.010 . 1 . . . . 55 ILE CB . 26937 1 325 . 1 1 55 55 ILE N N 15 113.687 0.010 . 1 . . . . 55 ILE N . 26937 1 326 . 1 1 56 56 ASP H H 1 8.777 0.010 . 1 . . . . 56 ASP H . 26937 1 327 . 1 1 56 56 ASP HA H 1 4.596 0.010 . 1 . . . . 56 ASP HA . 26937 1 328 . 1 1 56 56 ASP C C 13 172.170 0.010 . 1 . . . . 56 ASP C . 26937 1 329 . 1 1 56 56 ASP CA C 13 54.830 0.010 . 1 . . . . 56 ASP CA . 26937 1 330 . 1 1 56 56 ASP N N 15 118.054 0.010 . 1 . . . . 56 ASP N . 26937 1 331 . 1 1 57 57 PRO HA H 1 5.112 0.010 . 1 . . . . 57 PRO HA . 26937 1 332 . 1 1 57 57 PRO C C 13 176.880 0.010 . 1 . . . . 57 PRO C . 26937 1 333 . 1 1 57 57 PRO CA C 13 63.170 0.010 . 1 . . . . 57 PRO CA . 26937 1 334 . 1 1 57 57 PRO CB C 13 33.120 0.010 . 1 . . . . 57 PRO CB . 26937 1 335 . 1 1 58 58 THR H H 1 8.568 0.010 . 1 . . . . 58 THR H . 26937 1 336 . 1 1 58 58 THR HA H 1 4.517 0.010 . 1 . . . . 58 THR HA . 26937 1 337 . 1 1 58 58 THR C C 13 172.210 0.010 . 1 . . . . 58 THR C . 26937 1 338 . 1 1 58 58 THR CA C 13 61.710 0.010 . 1 . . . . 58 THR CA . 26937 1 339 . 1 1 58 58 THR CB C 13 71.490 0.010 . 1 . . . . 58 THR CB . 26937 1 340 . 1 1 58 58 THR N N 15 116.296 0.010 . 1 . . . . 58 THR N . 26937 1 341 . 1 1 59 59 TYR H H 1 8.653 0.010 . 1 . . . . 59 TYR H . 26937 1 342 . 1 1 59 59 TYR HA H 1 5.185 0.010 . 1 . . . . 59 TYR HA . 26937 1 343 . 1 1 59 59 TYR C C 13 176.780 0.010 . 1 . . . . 59 TYR C . 26937 1 344 . 1 1 59 59 TYR CA C 13 57.170 0.010 . 1 . . . . 59 TYR CA . 26937 1 345 . 1 1 59 59 TYR CB C 13 43.060 0.010 . 1 . . . . 59 TYR CB . 26937 1 346 . 1 1 59 59 TYR N N 15 119.091 0.010 . 1 . . . . 59 TYR N . 26937 1 347 . 1 1 60 60 ALA H H 1 8.317 0.010 . 1 . . . . 60 ALA H . 26937 1 348 . 1 1 60 60 ALA HA H 1 4.568 0.010 . 1 . . . . 60 ALA HA . 26937 1 349 . 1 1 60 60 ALA C C 13 179.110 0.010 . 1 . . . . 60 ALA C . 26937 1 350 . 1 1 60 60 ALA CA C 13 52.530 0.010 . 1 . . . . 60 ALA CA . 26937 1 351 . 1 1 60 60 ALA CB C 13 19.640 0.010 . 1 . . . . 60 ALA CB . 26937 1 352 . 1 1 60 60 ALA N N 15 125.855 0.010 . 1 . . . . 60 ALA N . 26937 1 353 . 1 1 61 61 ASP H H 1 8.995 0.010 . 1 . . . . 61 ASP H . 26937 1 354 . 1 1 61 61 ASP HA H 1 4.363 0.010 . 1 . . . . 61 ASP HA . 26937 1 355 . 1 1 61 61 ASP C C 13 178.460 0.010 . 1 . . . . 61 ASP C . 26937 1 356 . 1 1 61 61 ASP CA C 13 57.760 0.010 . 1 . . . . 61 ASP CA . 26937 1 357 . 1 1 61 61 ASP CB C 13 40.440 0.010 . 1 . . . . 61 ASP CB . 26937 1 358 . 1 1 61 61 ASP N N 15 123.204 0.010 . 1 . . . . 61 ASP N . 26937 1 359 . 1 1 62 62 SER H H 1 8.180 0.010 . 1 . . . . 62 SER H . 26937 1 360 . 1 1 62 62 SER HA H 1 4.200 0.010 . 1 . . . . 62 SER HA . 26937 1 361 . 1 1 62 62 SER C C 13 175.880 0.010 . 1 . . . . 62 SER C . 26937 1 362 . 1 1 62 62 SER CA C 13 60.070 0.010 . 1 . . . . 62 SER CA . 26937 1 363 . 1 1 62 62 SER CB C 13 62.920 0.010 . 1 . . . . 62 SER CB . 26937 1 364 . 1 1 62 62 SER N N 15 110.681 0.010 . 1 . . . . 62 SER N . 26937 1 365 . 1 1 63 63 VAL H H 1 7.268 0.010 . 1 . . . . 63 VAL H . 26937 1 366 . 1 1 63 63 VAL HA H 1 4.144 0.010 . 1 . . . . 63 VAL HA . 26937 1 367 . 1 1 63 63 VAL C C 13 175.660 0.010 . 1 . . . . 63 VAL C . 26937 1 368 . 1 1 63 63 VAL CA C 13 60.470 0.010 . 1 . . . . 63 VAL CA . 26937 1 369 . 1 1 63 63 VAL CB C 13 31.960 0.010 . 1 . . . . 63 VAL CB . 26937 1 370 . 1 1 63 63 VAL N N 15 111.650 0.010 . 1 . . . . 63 VAL N . 26937 1 371 . 1 1 64 64 ALA H H 1 7.218 0.010 . 1 . . . . 64 ALA H . 26937 1 372 . 1 1 64 64 ALA HA H 1 3.609 0.010 . 1 . . . . 64 ALA HA . 26937 1 373 . 1 1 64 64 ALA C C 13 177.570 0.010 . 1 . . . . 64 ALA C . 26937 1 374 . 1 1 64 64 ALA CA C 13 54.630 0.010 . 1 . . . . 64 ALA CA . 26937 1 375 . 1 1 64 64 ALA CB C 13 18.810 0.010 . 1 . . . . 64 ALA CB . 26937 1 376 . 1 1 64 64 ALA N N 15 126.072 0.010 . 1 . . . . 64 ALA N . 26937 1 377 . 1 1 65 65 ASP H H 1 8.669 0.010 . 1 . . . . 65 ASP H . 26937 1 378 . 1 1 65 65 ASP HA H 1 4.297 0.010 . 1 . . . . 65 ASP HA . 26937 1 379 . 1 1 65 65 ASP C C 13 176.250 0.010 . 1 . . . . 65 ASP C . 26937 1 380 . 1 1 65 65 ASP CA C 13 55.820 0.010 . 1 . . . . 65 ASP CA . 26937 1 381 . 1 1 65 65 ASP CB C 13 40.180 0.010 . 1 . . . . 65 ASP CB . 26937 1 382 . 1 1 65 65 ASP N N 15 115.184 0.010 . 1 . . . . 65 ASP N . 26937 1 383 . 1 1 66 66 ARG H H 1 7.657 0.010 . 1 . . . . 66 ARG H . 26937 1 384 . 1 1 66 66 ARG HA H 1 4.584 0.010 . 1 . . . . 66 ARG HA . 26937 1 385 . 1 1 66 66 ARG C C 13 175.360 0.010 . 1 . . . . 66 ARG C . 26937 1 386 . 1 1 66 66 ARG CA C 13 57.580 0.010 . 1 . . . . 66 ARG CA . 26937 1 387 . 1 1 66 66 ARG CB C 13 31.880 0.010 . 1 . . . . 66 ARG CB . 26937 1 388 . 1 1 66 66 ARG N N 15 116.707 0.010 . 1 . . . . 66 ARG N . 26937 1 389 . 1 1 67 67 PHE H H 1 7.805 0.010 . 1 . . . . 67 PHE H . 26937 1 390 . 1 1 67 67 PHE HA H 1 5.900 0.010 . 1 . . . . 67 PHE HA . 26937 1 391 . 1 1 67 67 PHE C C 13 174.790 0.010 . 1 . . . . 67 PHE C . 26937 1 392 . 1 1 67 67 PHE CA C 13 52.840 0.010 . 1 . . . . 67 PHE CA . 26937 1 393 . 1 1 67 67 PHE CB C 13 39.150 0.010 . 1 . . . . 67 PHE CB . 26937 1 394 . 1 1 67 67 PHE N N 15 120.339 0.010 . 1 . . . . 67 PHE N . 26937 1 395 . 1 1 68 68 THR H H 1 8.817 0.010 . 1 . . . . 68 THR H . 26937 1 396 . 1 1 68 68 THR HA H 1 5.065 0.010 . 1 . . . . 68 THR HA . 26937 1 397 . 1 1 68 68 THR C C 13 174.400 0.010 . 1 . . . . 68 THR C . 26937 1 398 . 1 1 68 68 THR CA C 13 60.850 0.010 . 1 . . . . 68 THR CA . 26937 1 399 . 1 1 68 68 THR CB C 13 72.340 0.010 . 1 . . . . 68 THR CB . 26937 1 400 . 1 1 68 68 THR N N 15 110.968 0.010 . 1 . . . . 68 THR N . 26937 1 401 . 1 1 69 69 THR H H 1 9.194 0.010 . 1 . . . . 69 THR H . 26937 1 402 . 1 1 69 69 THR HA H 1 5.547 0.010 . 1 . . . . 69 THR HA . 26937 1 403 . 1 1 69 69 THR C C 13 170.730 0.010 . 1 . . . . 69 THR C . 26937 1 404 . 1 1 69 69 THR CA C 13 59.030 0.010 . 1 . . . . 69 THR CA . 26937 1 405 . 1 1 69 69 THR CB C 13 71.730 0.010 . 1 . . . . 69 THR CB . 26937 1 406 . 1 1 69 69 THR N N 15 124.228 0.010 . 1 . . . . 69 THR N . 26937 1 407 . 1 1 70 70 SER H H 1 8.111 0.010 . 1 . . . . 70 SER H . 26937 1 408 . 1 1 70 70 SER HA H 1 4.693 0.010 . 1 . . . . 70 SER HA . 26937 1 409 . 1 1 70 70 SER C C 13 171.860 0.010 . 1 . . . . 70 SER C . 26937 1 410 . 1 1 70 70 SER CA C 13 57.440 0.010 . 1 . . . . 70 SER CA . 26937 1 411 . 1 1 70 70 SER CB C 13 65.650 0.010 . 1 . . . . 70 SER CB . 26937 1 412 . 1 1 70 70 SER N N 15 118.012 0.010 . 1 . . . . 70 SER N . 26937 1 413 . 1 1 71 71 ARG H H 1 9.126 0.010 . 1 . . . . 71 ARG H . 26937 1 414 . 1 1 71 71 ARG HA H 1 5.303 0.010 . 1 . . . . 71 ARG HA . 26937 1 415 . 1 1 71 71 ARG C C 13 173.980 0.010 . 1 . . . . 71 ARG C . 26937 1 416 . 1 1 71 71 ARG CA C 13 54.700 0.010 . 1 . . . . 71 ARG CA . 26937 1 417 . 1 1 71 71 ARG CB C 13 35.530 0.010 . 1 . . . . 71 ARG CB . 26937 1 418 . 1 1 71 71 ARG N N 15 120.778 0.010 . 1 . . . . 71 ARG N . 26937 1 419 . 1 1 72 72 ASP H H 1 9.171 0.010 . 1 . . . . 72 ASP H . 26937 1 420 . 1 1 72 72 ASP HA H 1 4.875 0.010 . 1 . . . . 72 ASP HA . 26937 1 421 . 1 1 72 72 ASP C C 13 176.960 0.010 . 1 . . . . 72 ASP C . 26937 1 422 . 1 1 72 72 ASP CA C 13 52.160 0.010 . 1 . . . . 72 ASP CA . 26937 1 423 . 1 1 72 72 ASP CB C 13 41.770 0.010 . 1 . . . . 72 ASP CB . 26937 1 424 . 1 1 72 72 ASP N N 15 125.491 0.010 . 1 . . . . 72 ASP N . 26937 1 425 . 1 1 73 73 VAL H H 1 8.470 0.010 . 1 . . . . 73 VAL H . 26937 1 426 . 1 1 73 73 VAL HA H 1 3.364 0.010 . 1 . . . . 73 VAL HA . 26937 1 427 . 1 1 73 73 VAL C C 13 179.340 0.010 . 1 . . . . 73 VAL C . 26937 1 428 . 1 1 73 73 VAL CA C 13 66.330 0.010 . 1 . . . . 73 VAL CA . 26937 1 429 . 1 1 73 73 VAL CB C 13 31.960 0.010 . 1 . . . . 73 VAL CB . 26937 1 430 . 1 1 73 73 VAL N N 15 124.938 0.010 . 1 . . . . 73 VAL N . 26937 1 431 . 1 1 74 74 ALA H H 1 8.452 0.010 . 1 . . . . 74 ALA H . 26937 1 432 . 1 1 74 74 ALA HA H 1 4.178 0.010 . 1 . . . . 74 ALA HA . 26937 1 433 . 1 1 74 74 ALA C C 13 179.450 0.010 . 1 . . . . 74 ALA C . 26937 1 434 . 1 1 74 74 ALA CA C 13 55.280 0.010 . 1 . . . . 74 ALA CA . 26937 1 435 . 1 1 74 74 ALA CB C 13 18.310 0.010 . 1 . . . . 74 ALA CB . 26937 1 436 . 1 1 74 74 ALA N N 15 123.614 0.010 . 1 . . . . 74 ALA N . 26937 1 437 . 1 1 75 75 ASN H H 1 7.501 0.010 . 1 . . . . 75 ASN H . 26937 1 438 . 1 1 75 75 ASN HA H 1 4.907 0.010 . 1 . . . . 75 ASN HA . 26937 1 439 . 1 1 75 75 ASN HD21 H 1 8.524 0.01 . 1 . . . . 75 ASN HD21 . 26937 1 440 . 1 1 75 75 ASN HD22 H 1 6.903 0.01 . 1 . . . . 75 ASN HD22 . 26937 1 441 . 1 1 75 75 ASN C C 13 175.480 0.010 . 1 . . . . 75 ASN C . 26937 1 442 . 1 1 75 75 ASN CA C 13 52.550 0.010 . 1 . . . . 75 ASN CA . 26937 1 443 . 1 1 75 75 ASN CB C 13 38.770 0.010 . 1 . . . . 75 ASN CB . 26937 1 444 . 1 1 75 75 ASN N N 15 111.790 0.010 . 1 . . . . 75 ASN N . 26937 1 445 . 1 1 75 75 ASN ND2 N 15 116.403 0.012 . 1 . . . . 75 ASN ND2 . 26937 1 446 . 1 1 76 76 ASN H H 1 8.184 0.010 . 1 . . . . 76 ASN H . 26937 1 447 . 1 1 76 76 ASN HA H 1 4.376 0.010 . 1 . . . . 76 ASN HA . 26937 1 448 . 1 1 76 76 ASN HD21 H 1 8.183 0.01 . 1 . . . . 76 ASN HD21 . 26937 1 449 . 1 1 76 76 ASN HD22 H 1 8.386 0.01 . 1 . . . . 76 ASN HD22 . 26937 1 450 . 1 1 76 76 ASN C C 13 172.750 0.010 . 1 . . . . 76 ASN C . 26937 1 451 . 1 1 76 76 ASN CA C 13 54.090 0.010 . 1 . . . . 76 ASN CA . 26937 1 452 . 1 1 76 76 ASN CB C 13 38.370 0.010 . 1 . . . . 76 ASN CB . 26937 1 453 . 1 1 76 76 ASN N N 15 123.338 0.010 . 1 . . . . 76 ASN N . 26937 1 454 . 1 1 76 76 ASN ND2 N 15 112.144 0.004 . 1 . . . . 76 ASN ND2 . 26937 1 455 . 1 1 77 77 THR H H 1 7.830 0.010 . 1 . . . . 77 THR H . 26937 1 456 . 1 1 77 77 THR HA H 1 4.946 0.010 . 1 . . . . 77 THR HA . 26937 1 457 . 1 1 77 77 THR C C 13 170.870 0.010 . 1 . . . . 77 THR C . 26937 1 458 . 1 1 77 77 THR CA C 13 61.510 0.010 . 1 . . . . 77 THR CA . 26937 1 459 . 1 1 77 77 THR CB C 13 71.600 0.010 . 1 . . . . 77 THR CB . 26937 1 460 . 1 1 77 77 THR N N 15 109.638 0.010 . 1 . . . . 77 THR N . 26937 1 461 . 1 1 78 78 LEU H H 1 9.034 0.010 . 1 . . . . 78 LEU H . 26937 1 462 . 1 1 78 78 LEU HA H 1 4.859 0.010 . 1 . . . . 78 LEU HA . 26937 1 463 . 1 1 78 78 LEU C C 13 174.430 0.010 . 1 . . . . 78 LEU C . 26937 1 464 . 1 1 78 78 LEU CA C 13 53.080 0.010 . 1 . . . . 78 LEU CA . 26937 1 465 . 1 1 78 78 LEU CB C 13 47.380 0.010 . 1 . . . . 78 LEU CB . 26937 1 466 . 1 1 78 78 LEU N N 15 129.467 0.010 . 1 . . . . 78 LEU N . 26937 1 467 . 1 1 79 79 TYR H H 1 9.263 0.010 . 1 . . . . 79 TYR H . 26937 1 468 . 1 1 79 79 TYR HA H 1 5.886 0.010 . 1 . . . . 79 TYR HA . 26937 1 469 . 1 1 79 79 TYR C C 13 177.380 0.010 . 1 . . . . 79 TYR C . 26937 1 470 . 1 1 79 79 TYR CA C 13 57.230 0.010 . 1 . . . . 79 TYR CA . 26937 1 471 . 1 1 79 79 TYR CB C 13 42.470 0.010 . 1 . . . . 79 TYR CB . 26937 1 472 . 1 1 79 79 TYR N N 15 122.909 0.010 . 1 . . . . 79 TYR N . 26937 1 473 . 1 1 80 80 LEU H H 1 8.937 0.010 . 1 . . . . 80 LEU H . 26937 1 474 . 1 1 80 80 LEU HA H 1 4.606 0.010 . 1 . . . . 80 LEU HA . 26937 1 475 . 1 1 80 80 LEU C C 13 173.620 0.010 . 1 . . . . 80 LEU C . 26937 1 476 . 1 1 80 80 LEU CA C 13 54.390 0.010 . 1 . . . . 80 LEU CA . 26937 1 477 . 1 1 80 80 LEU CB C 13 42.580 0.010 . 1 . . . . 80 LEU CB . 26937 1 478 . 1 1 80 80 LEU N N 15 125.042 0.010 . 1 . . . . 80 LEU N . 26937 1 479 . 1 1 81 81 GLN H H 1 9.245 0.010 . 1 . . . . 81 GLN H . 26937 1 480 . 1 1 81 81 GLN HA H 1 4.280 0.010 . 1 . . . . 81 GLN HA . 26937 1 481 . 1 1 81 81 GLN HE21 H 1 6.854 0.01 . 1 . . . . 81 GLN HE21 . 26937 1 482 . 1 1 81 81 GLN HE22 H 1 6.977 0.01 . 1 . . . . 81 GLN HE22 . 26937 1 483 . 1 1 81 81 GLN C C 13 173.860 0.010 . 1 . . . . 81 GLN C . 26937 1 484 . 1 1 81 81 GLN CA C 13 54.800 0.010 . 1 . . . . 81 GLN CA . 26937 1 485 . 1 1 81 81 GLN CB C 13 28.850 0.010 . 1 . . . . 81 GLN CB . 26937 1 486 . 1 1 81 81 GLN N N 15 128.975 0.010 . 1 . . . . 81 GLN N . 26937 1 487 . 1 1 81 81 GLN NE2 N 15 113.260 0.002 . 1 . . . . 81 GLN NE2 . 26937 1 488 . 1 1 82 82 MET H H 1 8.825 0.010 . 1 . . . . 82 MET H . 26937 1 489 . 1 1 82 82 MET HA H 1 3.830 0.010 . 1 . . . . 82 MET HA . 26937 1 490 . 1 1 82 82 MET C C 13 173.340 0.010 . 1 . . . . 82 MET C . 26937 1 491 . 1 1 82 82 MET CA C 13 54.610 0.010 . 1 . . . . 82 MET CA . 26937 1 492 . 1 1 82 82 MET CB C 13 34.920 0.010 . 1 . . . . 82 MET CB . 26937 1 493 . 1 1 82 82 MET N N 15 127.236 0.010 . 1 . . . . 82 MET N . 26937 1 494 . 1 1 83 83 ASN H H 1 7.335 0.010 . 1 . . . . 83 ASN H . 26937 1 495 . 1 1 83 83 ASN HA H 1 5.129 0.010 . 1 . . . . 83 ASN HA . 26937 1 496 . 1 1 83 83 ASN HD21 H 1 6.826 0.01 . 1 . . . . 83 ASN HD21 . 26937 1 497 . 1 1 83 83 ASN HD22 H 1 7.450 0.01 . 1 . . . . 83 ASN HD22 . 26937 1 498 . 1 1 83 83 ASN C C 13 173.320 0.010 . 1 . . . . 83 ASN C . 26937 1 499 . 1 1 83 83 ASN CA C 13 51.370 0.010 . 1 . . . . 83 ASN CA . 26937 1 500 . 1 1 83 83 ASN CB C 13 41.340 0.010 . 1 . . . . 83 ASN CB . 26937 1 501 . 1 1 83 83 ASN N N 15 119.468 0.010 . 1 . . . . 83 ASN N . 26937 1 502 . 1 1 83 83 ASN ND2 N 15 114.158 0.003 . 1 . . . . 83 ASN ND2 . 26937 1 503 . 1 1 84 84 SER H H 1 8.566 0.010 . 1 . . . . 84 SER H . 26937 1 504 . 1 1 84 84 SER HA H 1 4.021 0.010 . 1 . . . . 84 SER HA . 26937 1 505 . 1 1 84 84 SER C C 13 176.070 0.010 . 1 . . . . 84 SER C . 26937 1 506 . 1 1 84 84 SER CA C 13 57.620 0.010 . 1 . . . . 84 SER CA . 26937 1 507 . 1 1 84 84 SER CB C 13 62.020 0.010 . 1 . . . . 84 SER CB . 26937 1 508 . 1 1 84 84 SER N N 15 111.093 0.010 . 1 . . . . 84 SER N . 26937 1 509 . 1 1 85 85 LEU H H 1 8.036 0.010 . 1 . . . . 85 LEU H . 26937 1 510 . 1 1 85 85 LEU HA H 1 3.943 0.010 . 1 . . . . 85 LEU HA . 26937 1 511 . 1 1 85 85 LEU C C 13 177.130 0.010 . 1 . . . . 85 LEU C . 26937 1 512 . 1 1 85 85 LEU CA C 13 56.990 0.010 . 1 . . . . 85 LEU CA . 26937 1 513 . 1 1 85 85 LEU CB C 13 42.820 0.010 . 1 . . . . 85 LEU CB . 26937 1 514 . 1 1 85 85 LEU N N 15 118.829 0.010 . 1 . . . . 85 LEU N . 26937 1 515 . 1 1 86 86 LYS H H 1 9.497 0.010 . 1 . . . . 86 LYS H . 26937 1 516 . 1 1 86 86 LYS HA H 1 4.733 0.010 . 1 . . . . 86 LYS HA . 26937 1 517 . 1 1 86 86 LYS C C 13 177.520 0.010 . 1 . . . . 86 LYS C . 26937 1 518 . 1 1 86 86 LYS CA C 13 54.150 0.010 . 1 . . . . 86 LYS CA . 26937 1 519 . 1 1 86 86 LYS CB C 13 36.500 0.010 . 1 . . . . 86 LYS CB . 26937 1 520 . 1 1 86 86 LYS N N 15 121.199 0.010 . 1 . . . . 86 LYS N . 26937 1 521 . 1 1 87 87 HIS H H 1 8.902 0.010 . 1 . . . . 87 HIS H . 26937 1 522 . 1 1 87 87 HIS HA H 1 4.222 0.010 . 1 . . . . 87 HIS HA . 26937 1 523 . 1 1 87 87 HIS C C 13 178.620 0.010 . 1 . . . . 87 HIS C . 26937 1 524 . 1 1 87 87 HIS CA C 13 61.260 0.010 . 1 . . . . 87 HIS CA . 26937 1 525 . 1 1 87 87 HIS CB C 13 30.140 0.010 . 1 . . . . 87 HIS CB . 26937 1 526 . 1 1 87 87 HIS N N 15 121.918 0.010 . 1 . . . . 87 HIS N . 26937 1 527 . 1 1 88 88 GLU H H 1 9.503 0.010 . 1 . . . . 88 GLU H . 26937 1 528 . 1 1 88 88 GLU HA H 1 4.274 0.010 . 1 . . . . 88 GLU HA . 26937 1 529 . 1 1 88 88 GLU C C 13 175.900 0.010 . 1 . . . . 88 GLU C . 26937 1 530 . 1 1 88 88 GLU CA C 13 58.950 0.010 . 1 . . . . 88 GLU CA . 26937 1 531 . 1 1 88 88 GLU CB C 13 28.730 0.010 . 1 . . . . 88 GLU CB . 26937 1 532 . 1 1 88 88 GLU N N 15 116.139 0.010 . 1 . . . . 88 GLU N . 26937 1 533 . 1 1 89 89 ASP H H 1 8.346 0.010 . 1 . . . . 89 ASP H . 26937 1 534 . 1 1 89 89 ASP HA H 1 4.775 0.010 . 1 . . . . 89 ASP HA . 26937 1 535 . 1 1 89 89 ASP C C 13 177.040 0.010 . 1 . . . . 89 ASP C . 26937 1 536 . 1 1 89 89 ASP CA C 13 55.130 0.010 . 1 . . . . 89 ASP CA . 26937 1 537 . 1 1 89 89 ASP CB C 13 42.370 0.010 . 1 . . . . 89 ASP CB . 26937 1 538 . 1 1 89 89 ASP N N 15 117.832 0.010 . 1 . . . . 89 ASP N . 26937 1 539 . 1 1 90 90 THR H H 1 7.821 0.010 . 1 . . . . 90 THR H . 26937 1 540 . 1 1 90 90 THR HA H 1 4.397 0.010 . 1 . . . . 90 THR HA . 26937 1 541 . 1 1 90 90 THR C C 13 174.270 0.010 . 1 . . . . 90 THR C . 26937 1 542 . 1 1 90 90 THR CA C 13 64.930 0.010 . 1 . . . . 90 THR CA . 26937 1 543 . 1 1 90 90 THR CB C 13 69.840 0.010 . 1 . . . . 90 THR CB . 26937 1 544 . 1 1 90 90 THR N N 15 120.590 0.010 . 1 . . . . 90 THR N . 26937 1 545 . 1 1 91 91 ALA H H 1 9.101 0.010 . 1 . . . . 91 ALA H . 26937 1 546 . 1 1 91 91 ALA HA H 1 4.490 0.010 . 1 . . . . 91 ALA HA . 26937 1 547 . 1 1 91 91 ALA C C 13 175.420 0.010 . 1 . . . . 91 ALA C . 26937 1 548 . 1 1 91 91 ALA CA C 13 52.740 0.010 . 1 . . . . 91 ALA CA . 26937 1 549 . 1 1 91 91 ALA CB C 13 21.230 0.010 . 1 . . . . 91 ALA CB . 26937 1 550 . 1 1 91 91 ALA N N 15 128.115 0.010 . 1 . . . . 91 ALA N . 26937 1 551 . 1 1 92 92 VAL H H 1 7.533 0.010 . 1 . . . . 92 VAL H . 26937 1 552 . 1 1 92 92 VAL HA H 1 4.245 0.010 . 1 . . . . 92 VAL HA . 26937 1 553 . 1 1 92 92 VAL C C 13 175.500 0.010 . 1 . . . . 92 VAL C . 26937 1 554 . 1 1 92 92 VAL CA C 13 62.730 0.010 . 1 . . . . 92 VAL CA . 26937 1 555 . 1 1 92 92 VAL CB C 13 32.310 0.010 . 1 . . . . 92 VAL CB . 26937 1 556 . 1 1 92 92 VAL N N 15 118.406 0.010 . 1 . . . . 92 VAL N . 26937 1 557 . 1 1 93 93 TYR H H 1 9.150 0.010 . 1 . . . . 93 TYR H . 26937 1 558 . 1 1 93 93 TYR HA H 1 4.921 0.010 . 1 . . . . 93 TYR HA . 26937 1 559 . 1 1 93 93 TYR C C 13 174.760 0.010 . 1 . . . . 93 TYR C . 26937 1 560 . 1 1 93 93 TYR CA C 13 57.850 0.010 . 1 . . . . 93 TYR CA . 26937 1 561 . 1 1 93 93 TYR CB C 13 40.790 0.010 . 1 . . . . 93 TYR CB . 26937 1 562 . 1 1 93 93 TYR N N 15 127.647 0.010 . 1 . . . . 93 TYR N . 26937 1 563 . 1 1 94 94 TYR H H 1 9.576 0.010 . 1 . . . . 94 TYR H . 26937 1 564 . 1 1 94 94 TYR HA H 1 5.149 0.010 . 1 . . . . 94 TYR HA . 26937 1 565 . 1 1 94 94 TYR C C 13 174.920 0.010 . 1 . . . . 94 TYR C . 26937 1 566 . 1 1 94 94 TYR CA C 13 56.590 0.010 . 1 . . . . 94 TYR CA . 26937 1 567 . 1 1 94 94 TYR CB C 13 42.250 0.010 . 1 . . . . 94 TYR CB . 26937 1 568 . 1 1 94 94 TYR N N 15 119.119 0.010 . 1 . . . . 94 TYR N . 26937 1 569 . 1 1 95 95 CYS H H 1 10.292 0.010 . 1 . . . . 95 CYS H . 26937 1 570 . 1 1 95 95 CYS HA H 1 4.071 0.010 . 1 . . . . 95 CYS HA . 26937 1 571 . 1 1 95 95 CYS C C 13 171.450 0.010 . 1 . . . . 95 CYS C . 26937 1 572 . 1 1 95 95 CYS CA C 13 54.100 0.010 . 1 . . . . 95 CYS CA . 26937 1 573 . 1 1 95 95 CYS CB C 13 42.000 0.010 . 1 . . . . 95 CYS CB . 26937 1 574 . 1 1 95 95 CYS N N 15 124.905 0.010 . 1 . . . . 95 CYS N . 26937 1 575 . 1 1 96 96 ALA H H 1 8.350 0.010 . 1 . . . . 96 ALA H . 26937 1 576 . 1 1 96 96 ALA HA H 1 4.507 0.010 . 1 . . . . 96 ALA HA . 26937 1 577 . 1 1 96 96 ALA C C 13 175.710 0.010 . 1 . . . . 96 ALA C . 26937 1 578 . 1 1 96 96 ALA CA C 13 49.960 0.010 . 1 . . . . 96 ALA CA . 26937 1 579 . 1 1 96 96 ALA CB C 13 21.120 0.010 . 1 . . . . 96 ALA CB . 26937 1 580 . 1 1 96 96 ALA N N 15 127.643 0.010 . 1 . . . . 96 ALA N . 26937 1 581 . 1 1 97 97 ALA H H 1 8.922 0.010 . 1 . . . . 97 ALA H . 26937 1 582 . 1 1 97 97 ALA HA H 1 5.231 0.010 . 1 . . . . 97 ALA HA . 26937 1 583 . 1 1 97 97 ALA C C 13 176.230 0.010 . 1 . . . . 97 ALA C . 26937 1 584 . 1 1 97 97 ALA CA C 13 50.150 0.010 . 1 . . . . 97 ALA CA . 26937 1 585 . 1 1 97 97 ALA CB C 13 26.070 0.010 . 1 . . . . 97 ALA CB . 26937 1 586 . 1 1 97 97 ALA N N 15 123.413 0.010 . 1 . . . . 97 ALA N . 26937 1 587 . 1 1 98 98 ARG H H 1 7.956 0.010 . 1 . . . . 98 ARG H . 26937 1 588 . 1 1 98 98 ARG HA H 1 4.991 0.010 . 1 . . . . 98 ARG HA . 26937 1 589 . 1 1 98 98 ARG C C 13 175.370 0.010 . 1 . . . . 98 ARG C . 26937 1 590 . 1 1 98 98 ARG CA C 13 54.890 0.010 . 1 . . . . 98 ARG CA . 26937 1 591 . 1 1 98 98 ARG CB C 13 33.270 0.010 . 1 . . . . 98 ARG CB . 26937 1 592 . 1 1 98 98 ARG N N 15 119.800 0.010 . 1 . . . . 98 ARG N . 26937 1 593 . 1 1 99 99 ALA H H 1 9.383 0.010 . 1 . . . . 99 ALA H . 26937 1 594 . 1 1 99 99 ALA HA H 1 4.604 0.010 . 1 . . . . 99 ALA HA . 26937 1 595 . 1 1 99 99 ALA C C 13 175.590 0.010 . 1 . . . . 99 ALA C . 26937 1 596 . 1 1 99 99 ALA N N 15 125.331 0.010 . 1 . . . . 99 ALA N . 26937 1 597 . 1 1 100 100 PRO HA H 1 4.248 0.010 . 1 . . . . 100 PRO HA . 26937 1 598 . 1 1 100 100 PRO C C 13 176.280 0.010 . 1 . . . . 100 PRO C . 26937 1 599 . 1 1 100 100 PRO CA C 13 64.130 0.010 . 1 . . . . 100 PRO CA . 26937 1 600 . 1 1 100 100 PRO CB C 13 31.290 0.010 . 1 . . . . 100 PRO CB . 26937 1 601 . 1 1 101 101 VAL H H 1 7.446 0.010 . 1 . . . . 101 VAL H . 26937 1 602 . 1 1 101 101 VAL HA H 1 4.115 0.010 . 1 . . . . 101 VAL HA . 26937 1 603 . 1 1 101 101 VAL C C 13 176.080 0.010 . 1 . . . . 101 VAL C . 26937 1 604 . 1 1 101 101 VAL CA C 13 61.680 0.010 . 1 . . . . 101 VAL CA . 26937 1 605 . 1 1 101 101 VAL CB C 13 32.980 0.010 . 1 . . . . 101 VAL CB . 26937 1 606 . 1 1 101 101 VAL N N 15 115.974 0.010 . 1 . . . . 101 VAL N . 26937 1 607 . 1 1 102 102 GLY H H 1 8.275 0.010 . 1 . . . . 102 GLY H . 26937 1 608 . 1 1 102 102 GLY HA2 H 1 4.037 0.010 . 2 . . . . 102 GLY HA2 . 26937 1 609 . 1 1 102 102 GLY HA3 H 1 3.876 0.010 . 2 . . . . 102 GLY HA3 . 26937 1 610 . 1 1 102 102 GLY C C 13 173.740 0.010 . 1 . . . . 102 GLY C . 26937 1 611 . 1 1 102 102 GLY CA C 13 45.360 0.010 . 1 . . . . 102 GLY CA . 26937 1 612 . 1 1 102 102 GLY N N 15 112.738 0.010 . 1 . . . . 102 GLY N . 26937 1 613 . 1 1 103 103 GLN H H 1 8.367 0.010 . 1 . . . . 103 GLN H . 26937 1 614 . 1 1 103 103 GLN HE21 H 1 7.440 0.01 . 1 . . . . 103 GLN HE21 . 26937 1 615 . 1 1 103 103 GLN HE22 H 1 6.861 0.01 . 1 . . . . 103 GLN HE22 . 26937 1 616 . 1 1 103 103 GLN C C 13 175.610 0.010 . 1 . . . . 103 GLN C . 26937 1 617 . 1 1 103 103 GLN N N 15 119.231 0.010 . 1 . . . . 103 GLN N . 26937 1 618 . 1 1 103 103 GLN NE2 N 15 112.524 0.028 . 1 . . . . 103 GLN NE2 . 26937 1 619 . 1 1 104 104 SER H H 1 8.200 0.010 . 1 . . . . 104 SER H . 26937 1 620 . 1 1 104 104 SER C C 13 174.640 0.010 . 1 . . . . 104 SER C . 26937 1 621 . 1 1 104 104 SER N N 15 115.887 0.010 . 1 . . . . 104 SER N . 26937 1 622 . 1 1 105 105 SER HA H 1 4.427 0.010 . 1 . . . . 105 SER HA . 26937 1 623 . 1 1 105 105 SER C C 13 174.170 0.010 . 1 . . . . 105 SER C . 26937 1 624 . 1 1 105 105 SER CA C 13 58.440 0.010 . 1 . . . . 105 SER CA . 26937 1 625 . 1 1 105 105 SER CB C 13 63.900 0.010 . 1 . . . . 105 SER CB . 26937 1 626 . 1 1 106 106 SER H H 1 8.296 0.010 . 1 . . . . 106 SER H . 26937 1 627 . 1 1 106 106 SER C C 13 174.260 0.010 . 1 . . . . 106 SER C . 26937 1 628 . 1 1 106 106 SER CA C 13 55.510 0.010 . 1 . . . . 106 SER CA . 26937 1 629 . 1 1 106 106 SER N N 15 118.377 0.010 . 1 . . . . 106 SER N . 26937 1 630 . 1 1 107 107 PRO HA H 1 4.174 0.010 . 1 . . . . 107 PRO HA . 26937 1 631 . 1 1 107 107 PRO C C 13 176.620 0.010 . 1 . . . . 107 PRO C . 26937 1 632 . 1 1 107 107 PRO CA C 13 64.080 0.010 . 1 . . . . 107 PRO CA . 26937 1 633 . 1 1 107 107 PRO CB C 13 31.730 0.010 . 1 . . . . 107 PRO CB . 26937 1 634 . 1 1 108 108 TYR H H 1 7.575 0.010 . 1 . . . . 108 TYR H . 26937 1 635 . 1 1 108 108 TYR HA H 1 4.721 0.010 . 1 . . . . 108 TYR HA . 26937 1 636 . 1 1 108 108 TYR C C 13 175.150 0.010 . 1 . . . . 108 TYR C . 26937 1 637 . 1 1 108 108 TYR CA C 13 57.260 0.010 . 1 . . . . 108 TYR CA . 26937 1 638 . 1 1 108 108 TYR CB C 13 38.550 0.010 . 1 . . . . 108 TYR CB . 26937 1 639 . 1 1 108 108 TYR N N 15 115.021 0.010 . 1 . . . . 108 TYR N . 26937 1 640 . 1 1 109 109 ASP H H 1 7.235 0.010 . 1 . . . . 109 ASP H . 26937 1 641 . 1 1 109 109 ASP HA H 1 4.852 0.010 . 1 . . . . 109 ASP HA . 26937 1 642 . 1 1 109 109 ASP C C 13 174.550 0.010 . 1 . . . . 109 ASP C . 26937 1 643 . 1 1 109 109 ASP CA C 13 54.020 0.010 . 1 . . . . 109 ASP CA . 26937 1 644 . 1 1 109 109 ASP CB C 13 41.950 0.010 . 1 . . . . 109 ASP CB . 26937 1 645 . 1 1 109 109 ASP N N 15 119.686 0.010 . 1 . . . . 109 ASP N . 26937 1 646 . 1 1 110 110 TYR H H 1 8.114 0.010 . 1 . . . . 110 TYR H . 26937 1 647 . 1 1 110 110 TYR HA H 1 4.135 0.010 . 1 . . . . 110 TYR HA . 26937 1 648 . 1 1 110 110 TYR C C 13 173.900 0.010 . 1 . . . . 110 TYR C . 26937 1 649 . 1 1 110 110 TYR CA C 13 58.370 0.010 . 1 . . . . 110 TYR CA . 26937 1 650 . 1 1 110 110 TYR CB C 13 40.510 0.010 . 1 . . . . 110 TYR CB . 26937 1 651 . 1 1 110 110 TYR N N 15 119.265 0.010 . 1 . . . . 110 TYR N . 26937 1 652 . 1 1 111 111 ASP H H 1 7.447 0.010 . 1 . . . . 111 ASP H . 26937 1 653 . 1 1 111 111 ASP HA H 1 4.465 0.010 . 1 . . . . 111 ASP HA . 26937 1 654 . 1 1 111 111 ASP C C 13 175.100 0.010 . 1 . . . . 111 ASP C . 26937 1 655 . 1 1 111 111 ASP CA C 13 56.370 0.010 . 1 . . . . 111 ASP CA . 26937 1 656 . 1 1 111 111 ASP CB C 13 44.470 0.010 . 1 . . . . 111 ASP CB . 26937 1 657 . 1 1 111 111 ASP N N 15 118.288 0.010 . 1 . . . . 111 ASP N . 26937 1 658 . 1 1 112 112 TYR H H 1 7.735 0.010 . 1 . . . . 112 TYR H . 26937 1 659 . 1 1 112 112 TYR HA H 1 5.047 0.010 . 1 . . . . 112 TYR HA . 26937 1 660 . 1 1 112 112 TYR C C 13 173.100 0.010 . 1 . . . . 112 TYR C . 26937 1 661 . 1 1 112 112 TYR CA C 13 56.160 0.010 . 1 . . . . 112 TYR CA . 26937 1 662 . 1 1 112 112 TYR CB C 13 42.660 0.010 . 1 . . . . 112 TYR CB . 26937 1 663 . 1 1 112 112 TYR N N 15 115.494 0.010 . 1 . . . . 112 TYR N . 26937 1 664 . 1 1 113 113 TRP H H 1 8.697 0.010 . 1 . . . . 113 TRP H . 26937 1 665 . 1 1 113 113 TRP HA H 1 5.040 0.010 . 1 . . . . 113 TRP HA . 26937 1 666 . 1 1 113 113 TRP HE1 H 1 9.179 0.01 . 1 . . . . 113 TRP HE1 . 26937 1 667 . 1 1 113 113 TRP C C 13 177.780 0.010 . 1 . . . . 113 TRP C . 26937 1 668 . 1 1 113 113 TRP CA C 13 56.150 0.010 . 1 . . . . 113 TRP CA . 26937 1 669 . 1 1 113 113 TRP CB C 13 33.090 0.010 . 1 . . . . 113 TRP CB . 26937 1 670 . 1 1 113 113 TRP N N 15 121.336 0.010 . 1 . . . . 113 TRP N . 26937 1 671 . 1 1 113 113 TRP NE1 N 15 127.502 0.1 . 1 . . . . 113 TRP NE1 . 26937 1 672 . 1 1 114 114 GLY H H 1 9.298 0.010 . 1 . . . . 114 GLY H . 26937 1 673 . 1 1 114 114 GLY HA2 H 1 4.621 0.010 . 2 . . . . 114 GLY HA2 . 26937 1 674 . 1 1 114 114 GLY HA3 H 1 4.250 0.010 . 2 . . . . 114 GLY HA3 . 26937 1 675 . 1 1 114 114 GLY C C 13 173.610 0.010 . 1 . . . . 114 GLY C . 26937 1 676 . 1 1 114 114 GLY CA C 13 44.500 0.010 . 1 . . . . 114 GLY CA . 26937 1 677 . 1 1 114 114 GLY N N 15 110.911 0.010 . 1 . . . . 114 GLY N . 26937 1 678 . 1 1 115 115 GLN H H 1 8.592 0.010 . 1 . . . . 115 GLN H . 26937 1 679 . 1 1 115 115 GLN HA H 1 4.384 0.010 . 1 . . . . 115 GLN HA . 26937 1 680 . 1 1 115 115 GLN HE21 H 1 7.796 0.01 . 1 . . . . 115 GLN HE21 . 26937 1 681 . 1 1 115 115 GLN HE22 H 1 6.967 0.01 . 1 . . . . 115 GLN HE22 . 26937 1 682 . 1 1 115 115 GLN C C 13 177.600 0.010 . 1 . . . . 115 GLN C . 26937 1 683 . 1 1 115 115 GLN CA C 13 57.620 0.010 . 1 . . . . 115 GLN CA . 26937 1 684 . 1 1 115 115 GLN CB C 13 30.020 0.010 . 1 . . . . 115 GLN CB . 26937 1 685 . 1 1 115 115 GLN N N 15 117.969 0.010 . 1 . . . . 115 GLN N . 26937 1 686 . 1 1 115 115 GLN NE2 N 15 112.957 0.003 . 1 . . . . 115 GLN NE2 . 26937 1 687 . 1 1 116 116 GLY H H 1 10.057 0.010 . 1 . . . . 116 GLY H . 26937 1 688 . 1 1 116 116 GLY HA2 H 1 3.880 0.010 . 2 . . . . 116 GLY HA2 . 26937 1 689 . 1 1 116 116 GLY HA3 H 1 3.726 0.010 . 2 . . . . 116 GLY HA3 . 26937 1 690 . 1 1 116 116 GLY C C 13 173.840 0.010 . 1 . . . . 116 GLY C . 26937 1 691 . 1 1 116 116 GLY CA C 13 44.660 0.010 . 1 . . . . 116 GLY CA . 26937 1 692 . 1 1 116 116 GLY N N 15 112.847 0.010 . 1 . . . . 116 GLY N . 26937 1 693 . 1 1 117 117 THR H H 1 8.983 0.010 . 1 . . . . 117 THR H . 26937 1 694 . 1 1 117 117 THR HA H 1 4.723 0.010 . 1 . . . . 117 THR HA . 26937 1 695 . 1 1 117 117 THR C C 13 172.860 0.010 . 1 . . . . 117 THR C . 26937 1 696 . 1 1 117 117 THR CA C 13 60.060 0.010 . 1 . . . . 117 THR CA . 26937 1 697 . 1 1 117 117 THR CB C 13 71.010 0.010 . 1 . . . . 117 THR CB . 26937 1 698 . 1 1 117 117 THR N N 15 118.441 0.010 . 1 . . . . 117 THR N . 26937 1 699 . 1 1 118 118 GLN H H 1 8.715 0.010 . 1 . . . . 118 GLN H . 26937 1 700 . 1 1 118 118 GLN HA H 1 4.394 0.010 . 1 . . . . 118 GLN HA . 26937 1 701 . 1 1 118 118 GLN HE21 H 1 6.974 0.01 . 1 . . . . 118 GLN HE21 . 26937 1 702 . 1 1 118 118 GLN HE22 H 1 6.672 0.01 . 1 . . . . 118 GLN HE22 . 26937 1 703 . 1 1 118 118 GLN C C 13 175.370 0.010 . 1 . . . . 118 GLN C . 26937 1 704 . 1 1 118 118 GLN CA C 13 56.850 0.010 . 1 . . . . 118 GLN CA . 26937 1 705 . 1 1 118 118 GLN CB C 13 29.460 0.010 . 1 . . . . 118 GLN CB . 26937 1 706 . 1 1 118 118 GLN N N 15 130.199 0.010 . 1 . . . . 118 GLN N . 26937 1 707 . 1 1 118 118 GLN NE2 N 15 112.550 0.015 . 1 . . . . 118 GLN NE2 . 26937 1 708 . 1 1 119 119 VAL H H 1 8.857 0.010 . 1 . . . . 119 VAL H . 26937 1 709 . 1 1 119 119 VAL HA H 1 4.504 0.010 . 1 . . . . 119 VAL HA . 26937 1 710 . 1 1 119 119 VAL C C 13 174.670 0.010 . 1 . . . . 119 VAL C . 26937 1 711 . 1 1 119 119 VAL CA C 13 62.340 0.010 . 1 . . . . 119 VAL CA . 26937 1 712 . 1 1 119 119 VAL CB C 13 29.460 0.010 . 1 . . . . 119 VAL CB . 26937 1 713 . 1 1 119 119 VAL N N 15 129.471 0.010 . 1 . . . . 119 VAL N . 26937 1 714 . 1 1 120 120 THR H H 1 8.576 0.010 . 1 . . . . 120 THR H . 26937 1 715 . 1 1 120 120 THR HA H 1 4.586 0.010 . 1 . . . . 120 THR HA . 26937 1 716 . 1 1 120 120 THR C C 13 171.660 0.010 . 1 . . . . 120 THR C . 26937 1 717 . 1 1 120 120 THR CA C 13 61.890 0.010 . 1 . . . . 120 THR CA . 26937 1 718 . 1 1 120 120 THR CB C 13 70.600 0.010 . 1 . . . . 120 THR CB . 26937 1 719 . 1 1 120 120 THR N N 15 125.154 0.010 . 1 . . . . 120 THR N . 26937 1 720 . 1 1 121 121 VAL H H 1 8.395 0.010 . 1 . . . . 121 VAL H . 26937 1 721 . 1 1 121 121 VAL HA H 1 4.814 0.010 . 1 . . . . 121 VAL HA . 26937 1 722 . 1 1 121 121 VAL C C 13 175.890 0.010 . 1 . . . . 121 VAL C . 26937 1 723 . 1 1 121 121 VAL CA C 13 60.110 0.010 . 1 . . . . 121 VAL CA . 26937 1 724 . 1 1 121 121 VAL CB C 13 31.240 0.010 . 1 . . . . 121 VAL CB . 26937 1 725 . 1 1 121 121 VAL N N 15 128.821 0.010 . 1 . . . . 121 VAL N . 26937 1 726 . 1 1 122 122 SER H H 1 8.608 0.010 . 1 . . . . 122 SER H . 26937 1 727 . 1 1 122 122 SER HA H 1 4.724 0.010 . 1 . . . . 122 SER HA . 26937 1 728 . 1 1 122 122 SER C C 13 173.890 0.010 . 1 . . . . 122 SER C . 26937 1 729 . 1 1 122 122 SER CA C 13 57.110 0.010 . 1 . . . . 122 SER CA . 26937 1 730 . 1 1 122 122 SER N N 15 119.387 0.010 . 1 . . . . 122 SER N . 26937 1 731 . 1 1 123 123 SER HA H 1 4.497 0.010 . 1 . . . . 123 SER HA . 26937 1 732 . 1 1 123 123 SER C C 13 174.200 0.010 . 1 . . . . 123 SER C . 26937 1 733 . 1 1 123 123 SER CA C 13 58.820 0.010 . 1 . . . . 123 SER CA . 26937 1 734 . 1 1 123 123 SER CB C 13 63.830 0.010 . 1 . . . . 123 SER CB . 26937 1 735 . 1 1 124 124 LEU H H 1 8.233 0.010 . 1 . . . . 124 LEU H . 26937 1 736 . 1 1 124 124 LEU C C 13 175.050 0.010 . 1 . . . . 124 LEU C . 26937 1 737 . 1 1 124 124 LEU CA C 13 55.580 0.010 . 1 . . . . 124 LEU CA . 26937 1 738 . 1 1 124 124 LEU CB C 13 42.010 0.010 . 1 . . . . 124 LEU CB . 26937 1 739 . 1 1 124 124 LEU N N 15 123.372 0.010 . 1 . . . . 124 LEU N . 26937 1 740 . 1 1 125 125 GLU H H 1 8.428 0.010 . 1 . . . . 125 GLU H . 26937 1 741 . 1 1 125 125 GLU C C 13 177.310 0.010 . 1 . . . . 125 GLU C . 26937 1 742 . 1 1 125 125 GLU CA C 13 57.910 0.010 . 1 . . . . 125 GLU CA . 26937 1 743 . 1 1 125 125 GLU CB C 13 30.000 0.010 . 1 . . . . 125 GLU CB . 26937 1 744 . 1 1 125 125 GLU N N 15 123.616 0.010 . 1 . . . . 125 GLU N . 26937 1 745 . 1 1 126 126 VAL H H 1 7.961 0.010 . 1 . . . . 126 VAL H . 26937 1 746 . 1 1 126 126 VAL C C 13 176.010 0.010 . 1 . . . . 126 VAL C . 26937 1 747 . 1 1 126 126 VAL CA C 13 56.760 0.010 . 1 . . . . 126 VAL CA . 26937 1 748 . 1 1 126 126 VAL CB C 13 32.470 0.010 . 1 . . . . 126 VAL CB . 26937 1 749 . 1 1 126 126 VAL N N 15 118.527 0.010 . 1 . . . . 126 VAL N . 26937 1 750 . 1 1 127 127 LEU H H 1 7.962 0.010 . 1 . . . . 127 LEU H . 26937 1 751 . 1 1 127 127 LEU CA C 13 55.410 0.010 . 1 . . . . 127 LEU CA . 26937 1 752 . 1 1 127 127 LEU CB C 13 42.130 0.010 . 1 . . . . 127 LEU CB . 26937 1 753 . 1 1 127 127 LEU N N 15 123.032 0.010 . 1 . . . . 127 LEU N . 26937 1 754 . 1 1 128 128 PHE H H 1 7.997 0.010 . 1 . . . . 128 PHE H . 26937 1 755 . 1 1 128 128 PHE C C 13 176.910 0.010 . 1 . . . . 128 PHE C . 26937 1 756 . 1 1 128 128 PHE CA C 13 57.820 0.010 . 1 . . . . 128 PHE CA . 26937 1 757 . 1 1 128 128 PHE CB C 13 39.650 0.010 . 1 . . . . 128 PHE CB . 26937 1 758 . 1 1 128 128 PHE N N 15 119.676 0.010 . 1 . . . . 128 PHE N . 26937 1 759 . 1 1 129 129 GLN H H 1 7.620 0.010 . 1 . . . . 129 GLN H . 26937 1 760 . 1 1 129 129 GLN HA H 1 4.162 0.010 . 1 . . . . 129 GLN HA . 26937 1 761 . 1 1 129 129 GLN HE21 H 1 6.791 0.01 . 1 . . . . 129 GLN HE21 . 26937 1 762 . 1 1 129 129 GLN HE22 H 1 7.515 0.01 . 1 . . . . 129 GLN HE22 . 26937 1 763 . 1 1 129 129 GLN C C 13 180.280 0.010 . 1 . . . . 129 GLN C . 26937 1 764 . 1 1 129 129 GLN CA C 13 57.460 0.010 . 1 . . . . 129 GLN CA . 26937 1 765 . 1 1 129 129 GLN N N 15 125.780 0.010 . 1 . . . . 129 GLN N . 26937 1 766 . 1 1 129 129 GLN NE2 N 15 112.125 0.012 . 1 . . . . 129 GLN NE2 . 26937 1 stop_ save_