data_26936 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26936 _Entry.Title ; 1H, 13C, and 15N Backbone Chemical Shift Assignments 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 . . . . 26936 2 Yinshan Yang . . . . 26936 3 Joanna Hagelberger . . . . 26936 4 Sebastien Granier . . . . 26936 5 Helene Demene . . . . 26936 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 G nominque Fonctionelle' . 26936 2 . 'Centre de Biochimie Structurale' . 26936 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26936 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 26936 '15N chemical shifts' 133 26936 '1H chemical shifts' 279 26936 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 . 26936 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26937 'nanobody 39' 26936 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26936 _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 . . . . 26936 1 2 Yinshan Yang . . . . 26936 1 3 Joanna Hagelberger . . . . 26936 1 4 Sebastien Granier . . . . 26936 1 5 Helene Demene . . . . 26936 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G-protein Coupled receptor' 26936 1 'camelid antibody' 26936 1 nanobody 26936 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26936 _Assembly.ID 1 _Assembly.Name 'nanobody 33' _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 33' 1 $Nb33 A . yes native no no . . . 26936 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 . . . . . . . . . . 26936 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nb33 _Entity.Sf_category entity _Entity.Sf_framecode Nb33 _Entity.Entry_ID 26936 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nb33 _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 ; SQVQLVESGGGLVRPGGSRR LSCVDSERTSYPMGWFRRAP GKEREFVASITWSGIDPTYA DSVADRFTISRDVANNTLYL 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 . 26936 1 2 . GLN . 26936 1 3 . VAL . 26936 1 4 . GLN . 26936 1 5 . LEU . 26936 1 6 . VAL . 26936 1 7 . GLU . 26936 1 8 . SER . 26936 1 9 . GLY . 26936 1 10 . GLY . 26936 1 11 . GLY . 26936 1 12 . LEU . 26936 1 13 . VAL . 26936 1 14 . ARG . 26936 1 15 . PRO . 26936 1 16 . GLY . 26936 1 17 . GLY . 26936 1 18 . SER . 26936 1 19 . ARG . 26936 1 20 . ARG . 26936 1 21 . LEU . 26936 1 22 . SER . 26936 1 23 . CYS . 26936 1 24 . VAL . 26936 1 25 . ASP . 26936 1 26 . SER . 26936 1 27 . GLU . 26936 1 28 . ARG . 26936 1 29 . THR . 26936 1 30 . SER . 26936 1 31 . TYR . 26936 1 32 . PRO . 26936 1 33 . MET . 26936 1 34 . GLY . 26936 1 35 . TRP . 26936 1 36 . PHE . 26936 1 37 . ARG . 26936 1 38 . ARG . 26936 1 39 . ALA . 26936 1 40 . PRO . 26936 1 41 . GLY . 26936 1 42 . LYS . 26936 1 43 . GLU . 26936 1 44 . ARG . 26936 1 45 . GLU . 26936 1 46 . PHE . 26936 1 47 . VAL . 26936 1 48 . ALA . 26936 1 49 . SER . 26936 1 50 . ILE . 26936 1 51 . THR . 26936 1 52 . TRP . 26936 1 53 . SER . 26936 1 54 . GLY . 26936 1 55 . ILE . 26936 1 56 . ASP . 26936 1 57 . PRO . 26936 1 58 . THR . 26936 1 59 . TYR . 26936 1 60 . ALA . 26936 1 61 . ASP . 26936 1 62 . SER . 26936 1 63 . VAL . 26936 1 64 . ALA . 26936 1 65 . ASP . 26936 1 66 . ARG . 26936 1 67 . PHE . 26936 1 68 . THR . 26936 1 69 . ILE . 26936 1 70 . SER . 26936 1 71 . ARG . 26936 1 72 . ASP . 26936 1 73 . VAL . 26936 1 74 . ALA . 26936 1 75 . ASN . 26936 1 76 . ASN . 26936 1 77 . THR . 26936 1 78 . LEU . 26936 1 79 . TYR . 26936 1 80 . LEU . 26936 1 81 . GLN . 26936 1 82 . MET . 26936 1 83 . ASN . 26936 1 84 . SER . 26936 1 85 . LEU . 26936 1 86 . LYS . 26936 1 87 . HIS . 26936 1 88 . GLU . 26936 1 89 . ASP . 26936 1 90 . THR . 26936 1 91 . ALA . 26936 1 92 . VAL . 26936 1 93 . TYR . 26936 1 94 . TYR . 26936 1 95 . CYS . 26936 1 96 . ALA . 26936 1 97 . ALA . 26936 1 98 . ARG . 26936 1 99 . ALA . 26936 1 100 . PRO . 26936 1 101 . VAL . 26936 1 102 . GLY . 26936 1 103 . GLN . 26936 1 104 . SER . 26936 1 105 . SER . 26936 1 106 . SER . 26936 1 107 . PRO . 26936 1 108 . TYR . 26936 1 109 . ASP . 26936 1 110 . TYR . 26936 1 111 . ASP . 26936 1 112 . TYR . 26936 1 113 . TRP . 26936 1 114 . GLY . 26936 1 115 . GLN . 26936 1 116 . GLY . 26936 1 117 . THR . 26936 1 118 . GLN . 26936 1 119 . VAL . 26936 1 120 . THR . 26936 1 121 . VAL . 26936 1 122 . SER . 26936 1 123 . SER . 26936 1 124 . LEU . 26936 1 125 . GLU . 26936 1 126 . VAL . 26936 1 127 . LEU . 26936 1 128 . PHE . 26936 1 129 . GLN . 26936 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 26936 1 . GLN 2 2 26936 1 . VAL 3 3 26936 1 . GLN 4 4 26936 1 . LEU 5 5 26936 1 . VAL 6 6 26936 1 . GLU 7 7 26936 1 . SER 8 8 26936 1 . GLY 9 9 26936 1 . GLY 10 10 26936 1 . GLY 11 11 26936 1 . LEU 12 12 26936 1 . VAL 13 13 26936 1 . ARG 14 14 26936 1 . PRO 15 15 26936 1 . GLY 16 16 26936 1 . GLY 17 17 26936 1 . SER 18 18 26936 1 . ARG 19 19 26936 1 . ARG 20 20 26936 1 . LEU 21 21 26936 1 . SER 22 22 26936 1 . CYS 23 23 26936 1 . VAL 24 24 26936 1 . ASP 25 25 26936 1 . SER 26 26 26936 1 . GLU 27 27 26936 1 . ARG 28 28 26936 1 . THR 29 29 26936 1 . SER 30 30 26936 1 . TYR 31 31 26936 1 . PRO 32 32 26936 1 . MET 33 33 26936 1 . GLY 34 34 26936 1 . TRP 35 35 26936 1 . PHE 36 36 26936 1 . ARG 37 37 26936 1 . ARG 38 38 26936 1 . ALA 39 39 26936 1 . PRO 40 40 26936 1 . GLY 41 41 26936 1 . LYS 42 42 26936 1 . GLU 43 43 26936 1 . ARG 44 44 26936 1 . GLU 45 45 26936 1 . PHE 46 46 26936 1 . VAL 47 47 26936 1 . ALA 48 48 26936 1 . SER 49 49 26936 1 . ILE 50 50 26936 1 . THR 51 51 26936 1 . TRP 52 52 26936 1 . SER 53 53 26936 1 . GLY 54 54 26936 1 . ILE 55 55 26936 1 . ASP 56 56 26936 1 . PRO 57 57 26936 1 . THR 58 58 26936 1 . TYR 59 59 26936 1 . ALA 60 60 26936 1 . ASP 61 61 26936 1 . SER 62 62 26936 1 . VAL 63 63 26936 1 . ALA 64 64 26936 1 . ASP 65 65 26936 1 . ARG 66 66 26936 1 . PHE 67 67 26936 1 . THR 68 68 26936 1 . ILE 69 69 26936 1 . SER 70 70 26936 1 . ARG 71 71 26936 1 . ASP 72 72 26936 1 . VAL 73 73 26936 1 . ALA 74 74 26936 1 . ASN 75 75 26936 1 . ASN 76 76 26936 1 . THR 77 77 26936 1 . LEU 78 78 26936 1 . TYR 79 79 26936 1 . LEU 80 80 26936 1 . GLN 81 81 26936 1 . MET 82 82 26936 1 . ASN 83 83 26936 1 . SER 84 84 26936 1 . LEU 85 85 26936 1 . LYS 86 86 26936 1 . HIS 87 87 26936 1 . GLU 88 88 26936 1 . ASP 89 89 26936 1 . THR 90 90 26936 1 . ALA 91 91 26936 1 . VAL 92 92 26936 1 . TYR 93 93 26936 1 . TYR 94 94 26936 1 . CYS 95 95 26936 1 . ALA 96 96 26936 1 . ALA 97 97 26936 1 . ARG 98 98 26936 1 . ALA 99 99 26936 1 . PRO 100 100 26936 1 . VAL 101 101 26936 1 . GLY 102 102 26936 1 . GLN 103 103 26936 1 . SER 104 104 26936 1 . SER 105 105 26936 1 . SER 106 106 26936 1 . PRO 107 107 26936 1 . TYR 108 108 26936 1 . ASP 109 109 26936 1 . TYR 110 110 26936 1 . ASP 111 111 26936 1 . TYR 112 112 26936 1 . TRP 113 113 26936 1 . GLY 114 114 26936 1 . GLN 115 115 26936 1 . GLY 116 116 26936 1 . THR 117 117 26936 1 . GLN 118 118 26936 1 . VAL 119 119 26936 1 . THR 120 120 26936 1 . VAL 121 121 26936 1 . SER 122 122 26936 1 . SER 123 123 26936 1 . LEU 124 124 26936 1 . GLU 125 125 26936 1 . VAL 126 126 26936 1 . LEU 127 127 26936 1 . PHE 128 128 26936 1 . GLN 129 129 26936 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 26936 _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 $Nb33 . 9844 organism . 'Lama Glama' Llama . . Eukaryota Metazoa Lama Glama . . . . . . . . . . . . . 26936 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 26936 _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 $Nb33 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pMalp2x . . . 26936 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26936 _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 Nb33 '[U-99% 13C; U-99% 15N]' . . 1 $Nb33 . . 1.2 . . mM . . . . 26936 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26936 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26936 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26936 1 5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 26936 1 6 LMNG 'natural abundance' . . . . . . 0.01 . . % . . . . 26936 1 7 'Cholesteryl Hemisuccinate' 'natural abundance' . . . . . . 0.001 . . % . . . . 26936 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 26936 _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 26936 1 pH 6.8 . pH 26936 1 pressure 1 . atm 26936 1 temperature 298 . K 26936 1 stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 26936 _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 . . 26936 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26936 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26936 _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' . . 26936 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26936 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26936 _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 . . 26936 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26936 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 26936 _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 26936 _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 . . . 26936 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 26936 _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 . . . . . . . . . . . . . . . . 26936 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26936 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 26936 _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 . . . . . 26936 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26936 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26936 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 26936 _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' . . . 26936 1 2 '3D HNCO' . . . 26936 1 3 '3D HBHA(CO)NH' . . . 26936 1 4 '3D CBCA(CO)NH' . . . 26936 1 5 '3D HNCA' . . . 26936 1 6 '3D HN(CO)CA' . . . 26936 1 7 '3D 1H-15N NOESY' . . . 26936 1 8 '3D HCCH-TOCSY' . . . 26936 1 9 '2D 1H-13C HSQC aliphatic' . . . 26936 1 10 '3D 1H-15N TOCSY' . . . 26936 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 8.172 0.01 . 1 . . . . 1 SER H . 26936 1 2 . 1 1 1 1 SER C C 13 174.270 0.1 . 1 . . . . 1 SER C . 26936 1 3 . 1 1 1 1 SER CA C 13 58.580 0.1 . 1 . . . . 1 SER CA . 26936 1 4 . 1 1 1 1 SER CB C 13 63.970 0.1 . 1 . . . . 1 SER CB . 26936 1 5 . 1 1 1 1 SER N N 15 115.694 0.1 . 1 . . . . 1 SER N . 26936 1 6 . 1 1 2 2 GLN H H 1 8.447 0.01 . 1 . . . . 2 GLN H . 26936 1 7 . 1 1 2 2 GLN HA H 1 4.395 0.01 . 1 . . . . 2 GLN HA . 26936 1 8 . 1 1 2 2 GLN HE21 H 1 6.880 0.01 . 1 . . . . 2 GLN HE21 . 26936 1 9 . 1 1 2 2 GLN HE22 H 1 7.545 0.01 . 1 . . . . 2 GLN HE22 . 26936 1 10 . 1 1 2 2 GLN C C 13 175.260 0.1 . 1 . . . . 2 GLN C . 26936 1 11 . 1 1 2 2 GLN CA C 13 55.700 0.1 . 1 . . . . 2 GLN CA . 26936 1 12 . 1 1 2 2 GLN CB C 13 29.940 0.1 . 1 . . . . 2 GLN CB . 26936 1 13 . 1 1 2 2 GLN N N 15 122.228 0.1 . 1 . . . . 2 GLN N . 26936 1 14 . 1 1 2 2 GLN NE2 N 15 112.481 0.006 . 1 . . . . 2 GLN NE2 . 26936 1 15 . 1 1 3 3 VAL H H 1 7.853 0.01 . 1 . . . . 3 VAL H . 26936 1 16 . 1 1 3 3 VAL HA H 1 3.821 0.01 . 1 . . . . 3 VAL HA . 26936 1 17 . 1 1 3 3 VAL C C 13 175.720 0.1 . 1 . . . . 3 VAL C . 26936 1 18 . 1 1 3 3 VAL CA C 13 62.450 0.1 . 1 . . . . 3 VAL CA . 26936 1 19 . 1 1 3 3 VAL CB C 13 33.260 0.1 . 1 . . . . 3 VAL CB . 26936 1 20 . 1 1 3 3 VAL N N 15 122.399 0.1 . 1 . . . . 3 VAL N . 26936 1 21 . 1 1 4 4 GLN H H 1 8.823 0.01 . 1 . . . . 4 GLN H . 26936 1 22 . 1 1 4 4 GLN HA H 1 4.472 0.01 . 1 . . . . 4 GLN HA . 26936 1 23 . 1 1 4 4 GLN HE21 H 1 6.769 0.01 . 1 . . . . 4 GLN HE21 . 26936 1 24 . 1 1 4 4 GLN HE22 H 1 7.439 0.01 . 1 . . . . 4 GLN HE22 . 26936 1 25 . 1 1 4 4 GLN C C 13 173.930 0.1 . 1 . . . . 4 GLN C . 26936 1 26 . 1 1 4 4 GLN CA C 13 54.580 0.1 . 1 . . . . 4 GLN CA . 26936 1 27 . 1 1 4 4 GLN CB C 13 29.760 0.1 . 1 . . . . 4 GLN CB . 26936 1 28 . 1 1 4 4 GLN N N 15 128.779 0.1 . 1 . . . . 4 GLN N . 26936 1 29 . 1 1 4 4 GLN NE2 N 15 111.886 0.002 . 1 . . . . 4 GLN NE2 . 26936 1 30 . 1 1 5 5 LEU H H 1 8.227 0.01 . 1 . . . . 5 LEU H . 26936 1 31 . 1 1 5 5 LEU HA H 1 4.574 0.01 . 1 . . . . 5 LEU HA . 26936 1 32 . 1 1 5 5 LEU C C 13 176.970 0.1 . 1 . . . . 5 LEU C . 26936 1 33 . 1 1 5 5 LEU CA C 13 53.970 0.1 . 1 . . . . 5 LEU CA . 26936 1 34 . 1 1 5 5 LEU CB C 13 42.480 0.1 . 1 . . . . 5 LEU CB . 26936 1 35 . 1 1 5 5 LEU N N 15 124.843 0.1 . 1 . . . . 5 LEU N . 26936 1 36 . 1 1 6 6 VAL H H 1 8.689 0.01 . 1 . . . . 6 VAL H . 26936 1 37 . 1 1 6 6 VAL HA H 1 4.281 0.01 . 1 . . . . 6 VAL HA . 26936 1 38 . 1 1 6 6 VAL C C 13 176.710 0.1 . 1 . . . . 6 VAL C . 26936 1 39 . 1 1 6 6 VAL CA C 13 62.900 0.1 . 1 . . . . 6 VAL CA . 26936 1 40 . 1 1 6 6 VAL CB C 13 33.080 0.1 . 1 . . . . 6 VAL CB . 26936 1 41 . 1 1 6 6 VAL N N 15 124.938 0.1 . 1 . . . . 6 VAL N . 26936 1 42 . 1 1 7 7 GLU H H 1 9.052 0.01 . 1 . . . . 7 GLU H . 26936 1 43 . 1 1 7 7 GLU HA H 1 5.579 0.01 . 1 . . . . 7 GLU HA . 26936 1 44 . 1 1 7 7 GLU C C 13 176.590 0.1 . 1 . . . . 7 GLU C . 26936 1 45 . 1 1 7 7 GLU CA C 13 55.270 0.1 . 1 . . . . 7 GLU CA . 26936 1 46 . 1 1 7 7 GLU CB C 13 32.680 0.1 . 1 . . . . 7 GLU CB . 26936 1 47 . 1 1 7 7 GLU N N 15 130.598 0.1 . 1 . . . . 7 GLU N . 26936 1 48 . 1 1 8 8 SER H H 1 9.092 0.01 . 1 . . . . 8 SER H . 26936 1 49 . 1 1 8 8 SER HA H 1 4.929 0.01 . 1 . . . . 8 SER HA . 26936 1 50 . 1 1 8 8 SER C C 13 173.630 0.1 . 1 . . . . 8 SER C . 26936 1 51 . 1 1 8 8 SER CA C 13 57.590 0.1 . 1 . . . . 8 SER CA . 26936 1 52 . 1 1 8 8 SER CB C 13 65.620 0.1 . 1 . . . . 8 SER CB . 26936 1 53 . 1 1 8 8 SER N N 15 115.711 0.001 . 1 . . . . 8 SER N . 26936 1 54 . 1 1 9 9 GLY H H 1 8.482 0.01 . 1 . . . . 9 GLY H . 26936 1 55 . 1 1 9 9 GLY HA2 H 1 4.812 0.01 . 2 . . . . 9 GLY HA2 . 26936 1 56 . 1 1 9 9 GLY HA3 H 1 3.739 0.01 . 2 . . . . 9 GLY HA3 . 26936 1 57 . 1 1 9 9 GLY C C 13 175.240 0.1 . 1 . . . . 9 GLY C . 26936 1 58 . 1 1 9 9 GLY CA C 13 45.350 0.1 . 1 . . . . 9 GLY CA . 26936 1 59 . 1 1 9 9 GLY N N 15 107.755 0.1 . 1 . . . . 9 GLY N . 26936 1 60 . 1 1 10 10 GLY H H 1 7.933 0.01 . 1 . . . . 10 GLY H . 26936 1 61 . 1 1 10 10 GLY HA2 H 1 3.921 0.01 . 2 . . . . 10 GLY HA2 . 26936 1 62 . 1 1 10 10 GLY HA3 H 1 3.621 0.01 . 2 . . . . 10 GLY HA3 . 26936 1 63 . 1 1 10 10 GLY C C 13 173.360 0.1 . 1 . . . . 10 GLY C . 26936 1 64 . 1 1 10 10 GLY CA C 13 45.400 0.1 . 1 . . . . 10 GLY CA . 26936 1 65 . 1 1 10 10 GLY N N 15 107.500 0.1 . 1 . . . . 10 GLY N . 26936 1 66 . 1 1 11 11 GLY H H 1 8.161 0.01 . 1 . . . . 11 GLY H . 26936 1 67 . 1 1 11 11 GLY HA2 H 1 4.417 0.01 . 2 . . . . 11 GLY HA2 . 26936 1 68 . 1 1 11 11 GLY HA3 H 1 3.805 0.01 . 2 . . . . 11 GLY HA3 . 26936 1 69 . 1 1 11 11 GLY C C 13 171.220 0.1 . 1 . . . . 11 GLY C . 26936 1 70 . 1 1 11 11 GLY CA C 13 44.830 0.1 . 1 . . . . 11 GLY CA . 26936 1 71 . 1 1 11 11 GLY N N 15 107.582 0.001 . 1 . . . . 11 GLY N . 26936 1 72 . 1 1 12 12 LEU H H 1 8.099 0.01 . 1 . . . . 12 LEU H . 26936 1 73 . 1 1 12 12 LEU HA H 1 5.164 0.01 . 1 . . . . 12 LEU HA . 26936 1 74 . 1 1 12 12 LEU C C 13 176.740 0.1 . 1 . . . . 12 LEU C . 26936 1 75 . 1 1 12 12 LEU CA C 13 54.490 0.1 . 1 . . . . 12 LEU CA . 26936 1 76 . 1 1 12 12 LEU CB C 13 43.880 0.1 . 1 . . . . 12 LEU CB . 26936 1 77 . 1 1 12 12 LEU N N 15 122.869 0.1 . 1 . . . . 12 LEU N . 26936 1 78 . 1 1 13 13 VAL H H 1 9.069 0.01 . 1 . . . . 13 VAL H . 26936 1 79 . 1 1 13 13 VAL HA H 1 4.469 0.01 . 1 . . . . 13 VAL HA . 26936 1 80 . 1 1 13 13 VAL C C 13 173.010 0.1 . 1 . . . . 13 VAL C . 26936 1 81 . 1 1 13 13 VAL CA C 13 59.670 0.1 . 1 . . . . 13 VAL CA . 26936 1 82 . 1 1 13 13 VAL CB C 13 35.490 0.1 . 1 . . . . 13 VAL CB . 26936 1 83 . 1 1 13 13 VAL N N 15 123.259 0.001 . 1 . . . . 13 VAL N . 26936 1 84 . 1 1 14 14 ARG H H 1 8.160 0.01 . 1 . . . . 14 ARG H . 26936 1 85 . 1 1 14 14 ARG HA H 1 4.845 0.01 . 1 . . . . 14 ARG HA . 26936 1 86 . 1 1 14 14 ARG C C 13 174.560 0.1 . 1 . . . . 14 ARG C . 26936 1 87 . 1 1 14 14 ARG CA C 13 53.870 0.1 . 1 . . . . 14 ARG CA . 26936 1 88 . 1 1 14 14 ARG CB C 13 29.390 0.1 . 1 . . . . 14 ARG CB . 26936 1 89 . 1 1 14 14 ARG N N 15 123.240 0.1 . 1 . . . . 14 ARG N . 26936 1 90 . 1 1 15 15 PRO HA H 1 3.816 0.01 . 1 . . . . 15 PRO HA . 26936 1 91 . 1 1 15 15 PRO C C 13 177.870 0.1 . 1 . . . . 15 PRO C . 26936 1 92 . 1 1 15 15 PRO CA C 13 63.710 0.1 . 1 . . . . 15 PRO CA . 26936 1 93 . 1 1 15 15 PRO CB C 13 31.000 0.1 . 1 . . . . 15 PRO CB . 26936 1 94 . 1 1 16 16 GLY H H 1 9.805 0.01 . 1 . . . . 16 GLY H . 26936 1 95 . 1 1 16 16 GLY HA2 H 1 4.363 0.01 . 2 . . . . 16 GLY HA2 . 26936 1 96 . 1 1 16 16 GLY HA3 H 1 3.519 0.01 . 2 . . . . 16 GLY HA3 . 26936 1 97 . 1 1 16 16 GLY C C 13 175.220 0.1 . 1 . . . . 16 GLY C . 26936 1 98 . 1 1 16 16 GLY CA C 13 45.160 0.1 . 1 . . . . 16 GLY CA . 26936 1 99 . 1 1 16 16 GLY N N 15 114.537 0.001 . 1 . . . . 16 GLY N . 26936 1 100 . 1 1 17 17 GLY H H 1 8.424 0.01 . 1 . . . . 17 GLY H . 26936 1 101 . 1 1 17 17 GLY HA2 H 1 4.285 0.01 . 2 . . . . 17 GLY HA2 . 26936 1 102 . 1 1 17 17 GLY HA3 H 1 3.716 0.01 . 2 . . . . 17 GLY HA3 . 26936 1 103 . 1 1 17 17 GLY C C 13 170.640 0.1 . 1 . . . . 17 GLY C . 26936 1 104 . 1 1 17 17 GLY CA C 13 44.580 0.1 . 1 . . . . 17 GLY CA . 26936 1 105 . 1 1 17 17 GLY N N 15 109.461 0.001 . 1 . . . . 17 GLY N . 26936 1 106 . 1 1 18 18 SER H H 1 8.017 0.01 . 1 . . . . 18 SER H . 26936 1 107 . 1 1 18 18 SER HA H 1 5.587 0.01 . 1 . . . . 18 SER HA . 26936 1 108 . 1 1 18 18 SER C C 13 173.990 0.1 . 1 . . . . 18 SER C . 26936 1 109 . 1 1 18 18 SER CA C 13 56.280 0.1 . 1 . . . . 18 SER CA . 26936 1 110 . 1 1 18 18 SER CB C 13 67.450 0.1 . 1 . . . . 18 SER CB . 26936 1 111 . 1 1 18 18 SER N N 15 109.558 0.001 . 1 . . . . 18 SER N . 26936 1 112 . 1 1 19 19 ARG H H 1 8.652 0.01 . 1 . . . . 19 ARG H . 26936 1 113 . 1 1 19 19 ARG HA H 1 4.343 0.01 . 1 . . . . 19 ARG HA . 26936 1 114 . 1 1 19 19 ARG C C 13 172.620 0.1 . 1 . . . . 19 ARG C . 26936 1 115 . 1 1 19 19 ARG CA C 13 55.160 0.1 . 1 . . . . 19 ARG CA . 26936 1 116 . 1 1 19 19 ARG CB C 13 36.700 0.1 . 1 . . . . 19 ARG CB . 26936 1 117 . 1 1 19 19 ARG N N 15 121.216 0.001 . 1 . . . . 19 ARG N . 26936 1 118 . 1 1 20 20 ARG H H 1 8.439 0.01 . 1 . . . . 20 ARG H . 26936 1 119 . 1 1 20 20 ARG HA H 1 5.073 0.01 . 1 . . . . 20 ARG HA . 26936 1 120 . 1 1 20 20 ARG C C 13 175.460 0.1 . 1 . . . . 20 ARG C . 26936 1 121 . 1 1 20 20 ARG CA C 13 54.610 0.1 . 1 . . . . 20 ARG CA . 26936 1 122 . 1 1 20 20 ARG CB C 13 32.490 0.1 . 1 . . . . 20 ARG CB . 26936 1 123 . 1 1 20 20 ARG N N 15 124.363 0.001 . 1 . . . . 20 ARG N . 26936 1 124 . 1 1 21 21 LEU H H 1 8.799 0.01 . 1 . . . . 21 LEU H . 26936 1 125 . 1 1 21 21 LEU HA H 1 5.136 0.01 . 1 . . . . 21 LEU HA . 26936 1 126 . 1 1 21 21 LEU C C 13 177.110 0.1 . 1 . . . . 21 LEU C . 26936 1 127 . 1 1 21 21 LEU CA C 13 53.020 0.1 . 1 . . . . 21 LEU CA . 26936 1 128 . 1 1 21 21 LEU CB C 13 43.680 0.1 . 1 . . . . 21 LEU CB . 26936 1 129 . 1 1 21 21 LEU N N 15 126.779 0.1 . 1 . . . . 21 LEU N . 26936 1 130 . 1 1 22 22 SER H H 1 8.829 0.01 . 1 . . . . 22 SER H . 26936 1 131 . 1 1 22 22 SER HA H 1 5.804 0.01 . 1 . . . . 22 SER HA . 26936 1 132 . 1 1 22 22 SER C C 13 173.770 0.1 . 1 . . . . 22 SER C . 26936 1 133 . 1 1 22 22 SER CA C 13 56.430 0.1 . 1 . . . . 22 SER CA . 26936 1 134 . 1 1 22 22 SER CB C 13 67.830 0.1 . 1 . . . . 22 SER CB . 26936 1 135 . 1 1 22 22 SER N N 15 113.227 0.1 . 1 . . . . 22 SER N . 26936 1 136 . 1 1 23 23 CYS H H 1 9.053 0.01 . 1 . . . . 23 CYS H . 26936 1 137 . 1 1 23 23 CYS HA H 1 5.515 0.01 . 1 . . . . 23 CYS HA . 26936 1 138 . 1 1 23 23 CYS C C 13 171.520 0.1 . 1 . . . . 23 CYS C . 26936 1 139 . 1 1 23 23 CYS CA C 13 53.270 0.1 . 1 . . . . 23 CYS CA . 26936 1 140 . 1 1 23 23 CYS CB C 13 42.860 0.1 . 1 . . . . 23 CYS CB . 26936 1 141 . 1 1 23 23 CYS N N 15 121.141 0.1 . 1 . . . . 23 CYS N . 26936 1 142 . 1 1 24 24 VAL H H 1 8.448 0.01 . 1 . . . . 24 VAL H . 26936 1 143 . 1 1 24 24 VAL HA H 1 4.928 0.01 . 1 . . . . 24 VAL HA . 26936 1 144 . 1 1 24 24 VAL C C 13 173.260 0.1 . 1 . . . . 24 VAL C . 26936 1 145 . 1 1 24 24 VAL CA C 13 59.760 0.1 . 1 . . . . 24 VAL CA . 26936 1 146 . 1 1 24 24 VAL CB C 13 36.540 0.1 . 1 . . . . 24 VAL CB . 26936 1 147 . 1 1 24 24 VAL N N 15 124.966 0.1 . 1 . . . . 24 VAL N . 26936 1 148 . 1 1 25 25 ASP H H 1 6.534 0.01 . 1 . . . . 25 ASP H . 26936 1 149 . 1 1 25 25 ASP HA H 1 5.200 0.01 . 1 . . . . 25 ASP HA . 26936 1 150 . 1 1 25 25 ASP C C 13 179.330 0.1 . 1 . . . . 25 ASP C . 26936 1 151 . 1 1 25 25 ASP CA C 13 52.970 0.1 . 1 . . . . 25 ASP CA . 26936 1 152 . 1 1 25 25 ASP CB C 13 41.520 0.1 . 1 . . . . 25 ASP CB . 26936 1 153 . 1 1 25 25 ASP N N 15 121.415 0.1 . 1 . . . . 25 ASP N . 26936 1 154 . 1 1 26 26 SER H H 1 9.600 0.01 . 1 . . . . 26 SER H . 26936 1 155 . 1 1 26 26 SER HA H 1 4.263 0.01 . 1 . . . . 26 SER HA . 26936 1 156 . 1 1 26 26 SER C C 13 175.740 0.1 . 1 . . . . 26 SER C . 26936 1 157 . 1 1 26 26 SER CA C 13 61.290 0.1 . 1 . . . . 26 SER CA . 26936 1 158 . 1 1 26 26 SER CB C 13 63.170 0.1 . 1 . . . . 26 SER CB . 26936 1 159 . 1 1 26 26 SER N N 15 123.487 0.1 . 1 . . . . 26 SER N . 26936 1 160 . 1 1 27 27 GLU H H 1 8.285 0.01 . 1 . . . . 27 GLU H . 26936 1 161 . 1 1 27 27 GLU HA H 1 4.381 0.01 . 1 . . . . 27 GLU HA . 26936 1 162 . 1 1 27 27 GLU C C 13 176.450 0.1 . 1 . . . . 27 GLU C . 26936 1 163 . 1 1 27 27 GLU CA C 13 56.420 0.1 . 1 . . . . 27 GLU CA . 26936 1 164 . 1 1 27 27 GLU CB C 13 30.070 0.1 . 1 . . . . 27 GLU CB . 26936 1 165 . 1 1 27 27 GLU N N 15 120.027 0.1 . 1 . . . . 27 GLU N . 26936 1 166 . 1 1 28 28 ARG H H 1 7.872 0.01 . 1 . . . . 28 ARG H . 26936 1 167 . 1 1 28 28 ARG HA H 1 3.583 0.01 . 1 . . . . 28 ARG HA . 26936 1 168 . 1 1 28 28 ARG C C 13 174.610 0.1 . 1 . . . . 28 ARG C . 26936 1 169 . 1 1 28 28 ARG CA C 13 58.030 0.1 . 1 . . . . 28 ARG CA . 26936 1 170 . 1 1 28 28 ARG CB C 13 26.960 0.1 . 1 . . . . 28 ARG CB . 26936 1 171 . 1 1 28 28 ARG N N 15 112.819 0.1 . 1 . . . . 28 ARG N . 26936 1 172 . 1 1 29 29 THR H H 1 7.748 0.01 . 1 . . . . 29 THR H . 26936 1 173 . 1 1 29 29 THR HA H 1 4.001 0.01 . 1 . . . . 29 THR HA . 26936 1 174 . 1 1 29 29 THR C C 13 172.660 0.1 . 1 . . . . 29 THR C . 26936 1 175 . 1 1 29 29 THR CA C 13 62.290 0.1 . 1 . . . . 29 THR CA . 26936 1 176 . 1 1 29 29 THR CB C 13 68.710 0.1 . 1 . . . . 29 THR CB . 26936 1 177 . 1 1 29 29 THR N N 15 108.528 0.001 . 1 . . . . 29 THR N . 26936 1 178 . 1 1 30 30 SER H H 1 7.744 0.01 . 1 . . . . 30 SER H . 26936 1 179 . 1 1 30 30 SER HA H 1 4.306 0.01 . 1 . . . . 30 SER HA . 26936 1 180 . 1 1 30 30 SER C C 13 172.480 0.1 . 1 . . . . 30 SER C . 26936 1 181 . 1 1 30 30 SER CA C 13 57.690 0.1 . 1 . . . . 30 SER CA . 26936 1 182 . 1 1 30 30 SER CB C 13 66.290 0.1 . 1 . . . . 30 SER CB . 26936 1 183 . 1 1 30 30 SER N N 15 115.446 0.1 . 1 . . . . 30 SER N . 26936 1 184 . 1 1 31 31 TYR H H 1 9.048 0.01 . 1 . . . . 31 TYR H . 26936 1 185 . 1 1 31 31 TYR HA H 1 5.693 0.01 . 1 . . . . 31 TYR HA . 26936 1 186 . 1 1 31 31 TYR C C 13 175.110 0.1 . 1 . . . . 31 TYR C . 26936 1 187 . 1 1 31 31 TYR CA C 13 52.970 0.1 . 1 . . . . 31 TYR CA . 26936 1 188 . 1 1 31 31 TYR CB C 13 39.760 0.1 . 1 . . . . 31 TYR CB . 26936 1 189 . 1 1 31 31 TYR N N 15 116.441 0.1 . 1 . . . . 31 TYR N . 26936 1 190 . 1 1 32 32 PRO HA H 1 4.135 0.01 . 1 . . . . 32 PRO HA . 26936 1 191 . 1 1 32 32 PRO C C 13 176.610 0.1 . 1 . . . . 32 PRO C . 26936 1 192 . 1 1 32 32 PRO CA C 13 63.870 0.1 . 1 . . . . 32 PRO CA . 26936 1 193 . 1 1 32 32 PRO CB C 13 33.060 0.1 . 1 . . . . 32 PRO CB . 26936 1 194 . 1 1 33 33 MET H H 1 8.916 0.01 . 1 . . . . 33 MET H . 26936 1 195 . 1 1 33 33 MET HA H 1 4.481 0.01 . 1 . . . . 33 MET HA . 26936 1 196 . 1 1 33 33 MET C C 13 172.220 0.1 . 1 . . . . 33 MET C . 26936 1 197 . 1 1 33 33 MET CA C 13 57.590 0.1 . 1 . . . . 33 MET CA . 26936 1 198 . 1 1 33 33 MET CB C 13 41.350 0.1 . 1 . . . . 33 MET CB . 26936 1 199 . 1 1 33 33 MET N N 15 126.987 0.1 . 1 . . . . 33 MET N . 26936 1 200 . 1 1 34 34 GLY H H 1 7.829 0.01 . 1 . . . . 34 GLY H . 26936 1 201 . 1 1 34 34 GLY HA2 H 1 4.965 0.01 . 2 . . . . 34 GLY HA2 . 26936 1 202 . 1 1 34 34 GLY HA3 H 1 3.312 0.01 . 2 . . . . 34 GLY HA3 . 26936 1 203 . 1 1 34 34 GLY C C 13 169.780 0.1 . 1 . . . . 34 GLY C . 26936 1 204 . 1 1 34 34 GLY CA C 13 44.750 0.1 . 1 . . . . 34 GLY CA . 26936 1 205 . 1 1 34 34 GLY N N 15 106.301 0.1 . 1 . . . . 34 GLY N . 26936 1 206 . 1 1 35 35 TRP H H 1 9.180 0.01 . 1 . . . . 35 TRP H . 26936 1 207 . 1 1 35 35 TRP HA H 1 5.777 0.01 . 1 . . . . 35 TRP HA . 26936 1 208 . 1 1 35 35 TRP HE1 H 1 7.596 0.01 . 1 . . . . 35 TRP HE1 . 26936 1 209 . 1 1 35 35 TRP C C 13 174.820 0.1 . 1 . . . . 35 TRP C . 26936 1 210 . 1 1 35 35 TRP CA C 13 55.880 0.1 . 1 . . . . 35 TRP CA . 26936 1 211 . 1 1 35 35 TRP CB C 13 34.100 0.1 . 1 . . . . 35 TRP CB . 26936 1 212 . 1 1 35 35 TRP N N 15 115.358 0.1 . 1 . . . . 35 TRP N . 26936 1 213 . 1 1 35 35 TRP NE1 N 15 122.020 0.1 . 1 . . . . 35 TRP NE1 . 26936 1 214 . 1 1 36 36 PHE H H 1 9.710 0.01 . 1 . . . . 36 PHE H . 26936 1 215 . 1 1 36 36 PHE HA H 1 5.267 0.01 . 1 . . . . 36 PHE HA . 26936 1 216 . 1 1 36 36 PHE C C 13 174.710 0.1 . 1 . . . . 36 PHE C . 26936 1 217 . 1 1 36 36 PHE CA C 13 56.310 0.1 . 1 . . . . 36 PHE CA . 26936 1 218 . 1 1 36 36 PHE CB C 13 44.380 0.1 . 1 . . . . 36 PHE CB . 26936 1 219 . 1 1 36 36 PHE N N 15 122.492 0.1 . 1 . . . . 36 PHE N . 26936 1 220 . 1 1 37 37 ARG H H 1 9.934 0.01 . 1 . . . . 37 ARG H . 26936 1 221 . 1 1 37 37 ARG HA H 1 5.913 0.01 . 1 . . . . 37 ARG HA . 26936 1 222 . 1 1 37 37 ARG C C 13 173.570 0.1 . 1 . . . . 37 ARG C . 26936 1 223 . 1 1 37 37 ARG CA C 13 54.570 0.1 . 1 . . . . 37 ARG CA . 26936 1 224 . 1 1 37 37 ARG CB C 13 32.660 0.1 . 1 . . . . 37 ARG CB . 26936 1 225 . 1 1 37 37 ARG N N 15 116.696 0.1 . 1 . . . . 37 ARG N . 26936 1 226 . 1 1 38 38 ARG H H 1 9.425 0.01 . 1 . . . . 38 ARG H . 26936 1 227 . 1 1 38 38 ARG HA H 1 4.895 0.01 . 1 . . . . 38 ARG HA . 26936 1 228 . 1 1 38 38 ARG C C 13 175.180 0.1 . 1 . . . . 38 ARG C . 26936 1 229 . 1 1 38 38 ARG CA C 13 55.790 0.1 . 1 . . . . 38 ARG CA . 26936 1 230 . 1 1 38 38 ARG CB C 13 35.540 0.1 . 1 . . . . 38 ARG CB . 26936 1 231 . 1 1 38 38 ARG N N 15 121.385 0.001 . 1 . . . . 38 ARG N . 26936 1 232 . 1 1 39 39 ALA H H 1 9.687 0.01 . 1 . . . . 39 ALA H . 26936 1 233 . 1 1 39 39 ALA HA H 1 4.901 0.01 . 1 . . . . 39 ALA HA . 26936 1 234 . 1 1 39 39 ALA C C 13 174.520 0.1 . 1 . . . . 39 ALA C . 26936 1 235 . 1 1 39 39 ALA CA C 13 50.360 0.1 . 1 . . . . 39 ALA CA . 26936 1 236 . 1 1 39 39 ALA CB C 13 18.210 0.1 . 1 . . . . 39 ALA CB . 26936 1 237 . 1 1 39 39 ALA N N 15 136.931 0.1 . 1 . . . . 39 ALA N . 26936 1 238 . 1 1 41 41 GLY HA2 H 1 4.117 0.01 . 2 . . . . 41 GLY HA2 . 26936 1 239 . 1 1 41 41 GLY HA3 H 1 3.762 0.01 . 2 . . . . 41 GLY HA3 . 26936 1 240 . 1 1 41 41 GLY C C 13 174.180 0.1 . 1 . . . . 41 GLY C . 26936 1 241 . 1 1 41 41 GLY CA C 13 45.880 0.1 . 1 . . . . 41 GLY CA . 26936 1 242 . 1 1 42 42 LYS H H 1 7.960 0.01 . 1 . . . . 42 LYS H . 26936 1 243 . 1 1 42 42 LYS HA H 1 4.793 0.01 . 1 . . . . 42 LYS HA . 26936 1 244 . 1 1 42 42 LYS C C 13 176.100 0.1 . 1 . . . . 42 LYS C . 26936 1 245 . 1 1 42 42 LYS CA C 13 54.610 0.1 . 1 . . . . 42 LYS CA . 26936 1 246 . 1 1 42 42 LYS CB C 13 35.390 0.1 . 1 . . . . 42 LYS CB . 26936 1 247 . 1 1 42 42 LYS N N 15 120.180 0.1 . 1 . . . . 42 LYS N . 26936 1 248 . 1 1 43 43 GLU H H 1 8.213 0.01 . 1 . . . . 43 GLU H . 26936 1 249 . 1 1 43 43 GLU HA H 1 4.403 0.01 . 1 . . . . 43 GLU HA . 26936 1 250 . 1 1 43 43 GLU C C 13 176.670 0.1 . 1 . . . . 43 GLU C . 26936 1 251 . 1 1 43 43 GLU CA C 13 55.370 0.1 . 1 . . . . 43 GLU CA . 26936 1 252 . 1 1 43 43 GLU CB C 13 30.960 0.1 . 1 . . . . 43 GLU CB . 26936 1 253 . 1 1 43 43 GLU N N 15 118.071 0.1 . 1 . . . . 43 GLU N . 26936 1 254 . 1 1 44 44 ARG H H 1 8.747 0.01 . 1 . . . . 44 ARG H . 26936 1 255 . 1 1 44 44 ARG HA H 1 4.517 0.01 . 1 . . . . 44 ARG HA . 26936 1 256 . 1 1 44 44 ARG C C 13 175.670 0.1 . 1 . . . . 44 ARG C . 26936 1 257 . 1 1 44 44 ARG CA C 13 57.460 0.1 . 1 . . . . 44 ARG CA . 26936 1 258 . 1 1 44 44 ARG CB C 13 30.970 0.1 . 1 . . . . 44 ARG CB . 26936 1 259 . 1 1 44 44 ARG N N 15 121.959 0.1 . 1 . . . . 44 ARG N . 26936 1 260 . 1 1 45 45 GLU H H 1 9.885 0.01 . 1 . . . . 45 GLU H . 26936 1 261 . 1 1 45 45 GLU HA H 1 5.126 0.01 . 1 . . . . 45 GLU HA . 26936 1 262 . 1 1 45 45 GLU C C 13 175.200 0.1 . 1 . . . . 45 GLU C . 26936 1 263 . 1 1 45 45 GLU CA C 13 54.120 0.1 . 1 . . . . 45 GLU CA . 26936 1 264 . 1 1 45 45 GLU CB C 13 34.070 0.1 . 1 . . . . 45 GLU CB . 26936 1 265 . 1 1 45 45 GLU N N 15 125.540 0.1 . 1 . . . . 45 GLU N . 26936 1 266 . 1 1 46 46 PHE H H 1 8.952 0.01 . 1 . . . . 46 PHE H . 26936 1 267 . 1 1 46 46 PHE HA H 1 3.506 0.01 . 1 . . . . 46 PHE HA . 26936 1 268 . 1 1 46 46 PHE C C 13 174.120 0.1 . 1 . . . . 46 PHE C . 26936 1 269 . 1 1 46 46 PHE CA C 13 59.560 0.1 . 1 . . . . 46 PHE CA . 26936 1 270 . 1 1 46 46 PHE CB C 13 39.940 0.1 . 1 . . . . 46 PHE CB . 26936 1 271 . 1 1 46 46 PHE N N 15 124.867 0.1 . 1 . . . . 46 PHE N . 26936 1 272 . 1 1 47 47 VAL H H 1 7.181 0.01 . 1 . . . . 47 VAL H . 26936 1 273 . 1 1 47 47 VAL HA H 1 3.871 0.01 . 1 . . . . 47 VAL HA . 26936 1 274 . 1 1 47 47 VAL C C 13 172.490 0.1 . 1 . . . . 47 VAL C . 26936 1 275 . 1 1 47 47 VAL CA C 13 64.190 0.1 . 1 . . . . 47 VAL CA . 26936 1 276 . 1 1 47 47 VAL CB C 13 33.410 0.1 . 1 . . . . 47 VAL CB . 26936 1 277 . 1 1 47 47 VAL N N 15 125.522 0.001 . 1 . . . . 47 VAL N . 26936 1 278 . 1 1 48 48 ALA H H 1 7.331 0.01 . 1 . . . . 48 ALA H . 26936 1 279 . 1 1 48 48 ALA HA H 1 4.872 0.01 . 1 . . . . 48 ALA HA . 26936 1 280 . 1 1 48 48 ALA C C 13 174.520 0.1 . 1 . . . . 48 ALA C . 26936 1 281 . 1 1 48 48 ALA CA C 13 52.010 0.1 . 1 . . . . 48 ALA CA . 26936 1 282 . 1 1 48 48 ALA CB C 13 23.230 0.1 . 1 . . . . 48 ALA CB . 26936 1 283 . 1 1 48 48 ALA N N 15 115.931 0.1 . 1 . . . . 48 ALA N . 26936 1 284 . 1 1 49 49 SER H H 1 9.235 0.01 . 1 . . . . 49 SER H . 26936 1 285 . 1 1 49 49 SER HA H 1 5.302 0.01 . 1 . . . . 49 SER HA . 26936 1 286 . 1 1 49 49 SER C C 13 171.660 0.1 . 1 . . . . 49 SER C . 26936 1 287 . 1 1 49 49 SER CA C 13 57.760 0.1 . 1 . . . . 49 SER CA . 26936 1 288 . 1 1 49 49 SER CB C 13 67.420 0.1 . 1 . . . . 49 SER CB . 26936 1 289 . 1 1 49 49 SER N N 15 113.542 0.1 . 1 . . . . 49 SER N . 26936 1 290 . 1 1 50 50 ILE H H 1 8.644 0.01 . 1 . . . . 50 ILE H . 26936 1 291 . 1 1 50 50 ILE HA H 1 4.545 0.01 . 1 . . . . 50 ILE HA . 26936 1 292 . 1 1 50 50 ILE C C 13 173.240 0.1 . 1 . . . . 50 ILE C . 26936 1 293 . 1 1 50 50 ILE CA C 13 60.670 0.1 . 1 . . . . 50 ILE CA . 26936 1 294 . 1 1 50 50 ILE CB C 13 43.060 0.1 . 1 . . . . 50 ILE CB . 26936 1 295 . 1 1 50 50 ILE N N 15 119.527 0.1 . 1 . . . . 50 ILE N . 26936 1 296 . 1 1 51 51 THR H H 1 7.253 0.01 . 1 . . . . 51 THR H . 26936 1 297 . 1 1 51 51 THR HA H 1 4.581 0.01 . 1 . . . . 51 THR HA . 26936 1 298 . 1 1 51 51 THR C C 13 177.050 0.1 . 1 . . . . 51 THR C . 26936 1 299 . 1 1 51 51 THR CA C 13 62.250 0.1 . 1 . . . . 51 THR CA . 26936 1 300 . 1 1 51 51 THR CB C 13 71.590 0.1 . 1 . . . . 51 THR CB . 26936 1 301 . 1 1 51 51 THR N N 15 112.067 0.1 . 1 . . . . 51 THR N . 26936 1 302 . 1 1 52 52 TRP H H 1 9.034 0.01 . 1 . . . . 52 TRP H . 26936 1 303 . 1 1 52 52 TRP HA H 1 3.954 0.01 . 1 . . . . 52 TRP HA . 26936 1 304 . 1 1 52 52 TRP HE1 H 1 8.600 0.01 . 1 . . . . 52 TRP HE1 . 26936 1 305 . 1 1 52 52 TRP C C 13 177.930 0.1 . 1 . . . . 52 TRP C . 26936 1 306 . 1 1 52 52 TRP CA C 13 61.460 0.1 . 1 . . . . 52 TRP CA . 26936 1 307 . 1 1 52 52 TRP CB C 13 28.800 0.1 . 1 . . . . 52 TRP CB . 26936 1 308 . 1 1 52 52 TRP N N 15 121.928 0.1 . 1 . . . . 52 TRP N . 26936 1 309 . 1 1 52 52 TRP NE1 N 15 127.161 0.1 . 1 . . . . 52 TRP NE1 . 26936 1 310 . 1 1 53 53 SER H H 1 7.699 0.01 . 1 . . . . 53 SER H . 26936 1 311 . 1 1 53 53 SER HA H 1 3.903 0.01 . 1 . . . . 53 SER HA . 26936 1 312 . 1 1 53 53 SER C C 13 174.960 0.1 . 1 . . . . 53 SER C . 26936 1 313 . 1 1 53 53 SER CA C 13 58.640 0.1 . 1 . . . . 53 SER CA . 26936 1 314 . 1 1 53 53 SER CB C 13 63.190 0.1 . 1 . . . . 53 SER CB . 26936 1 315 . 1 1 53 53 SER N N 15 110.306 0.1 . 1 . . . . 53 SER N . 26936 1 316 . 1 1 54 54 GLY H H 1 8.200 0.01 . 1 . . . . 54 GLY H . 26936 1 317 . 1 1 54 54 GLY HA2 H 1 4.246 0.01 . 2 . . . . 54 GLY HA2 . 26936 1 318 . 1 1 54 54 GLY HA3 H 1 3.434 0.01 . 2 . . . . 54 GLY HA3 . 26936 1 319 . 1 1 54 54 GLY C C 13 173.470 0.1 . 1 . . . . 54 GLY C . 26936 1 320 . 1 1 54 54 GLY CA C 13 46.090 0.1 . 1 . . . . 54 GLY CA . 26936 1 321 . 1 1 54 54 GLY N N 15 108.603 0.1 . 1 . . . . 54 GLY N . 26936 1 322 . 1 1 55 55 ILE H H 1 7.064 0.01 . 1 . . . . 55 ILE H . 26936 1 323 . 1 1 55 55 ILE HA H 1 4.720 0.01 . 1 . . . . 55 ILE HA . 26936 1 324 . 1 1 55 55 ILE C C 13 174.440 0.1 . 1 . . . . 55 ILE C . 26936 1 325 . 1 1 55 55 ILE CA C 13 59.680 0.1 . 1 . . . . 55 ILE CA . 26936 1 326 . 1 1 55 55 ILE CB C 13 41.200 0.1 . 1 . . . . 55 ILE CB . 26936 1 327 . 1 1 55 55 ILE N N 15 113.655 0.001 . 1 . . . . 55 ILE N . 26936 1 328 . 1 1 56 56 ASP H H 1 8.726 0.01 . 1 . . . . 56 ASP H . 26936 1 329 . 1 1 56 56 ASP HA H 1 4.612 0.01 . 1 . . . . 56 ASP HA . 26936 1 330 . 1 1 56 56 ASP C C 13 172.320 0.1 . 1 . . . . 56 ASP C . 26936 1 331 . 1 1 56 56 ASP CA C 13 54.770 0.1 . 1 . . . . 56 ASP CA . 26936 1 332 . 1 1 56 56 ASP CB C 13 40.200 0.1 . 1 . . . . 56 ASP CB . 26936 1 333 . 1 1 56 56 ASP N N 15 117.683 0.001 . 1 . . . . 56 ASP N . 26936 1 334 . 1 1 57 57 PRO HA H 1 5.043 0.01 . 1 . . . . 57 PRO HA . 26936 1 335 . 1 1 57 57 PRO C C 13 177.010 0.1 . 1 . . . . 57 PRO C . 26936 1 336 . 1 1 57 57 PRO CA C 13 63.070 0.1 . 1 . . . . 57 PRO CA . 26936 1 337 . 1 1 57 57 PRO CB C 13 33.620 0.1 . 1 . . . . 57 PRO CB . 26936 1 338 . 1 1 58 58 THR H H 1 8.679 0.01 . 1 . . . . 58 THR H . 26936 1 339 . 1 1 58 58 THR HA H 1 4.537 0.01 . 1 . . . . 58 THR HA . 26936 1 340 . 1 1 58 58 THR C C 13 172.310 0.1 . 1 . . . . 58 THR C . 26936 1 341 . 1 1 58 58 THR CA C 13 62.180 0.1 . 1 . . . . 58 THR CA . 26936 1 342 . 1 1 58 58 THR CB C 13 71.520 0.1 . 1 . . . . 58 THR CB . 26936 1 343 . 1 1 58 58 THR N N 15 117.383 0.001 . 1 . . . . 58 THR N . 26936 1 344 . 1 1 59 59 TYR H H 1 8.800 0.01 . 1 . . . . 59 TYR H . 26936 1 345 . 1 1 59 59 TYR HA H 1 5.123 0.01 . 1 . . . . 59 TYR HA . 26936 1 346 . 1 1 59 59 TYR C C 13 176.920 0.1 . 1 . . . . 59 TYR C . 26936 1 347 . 1 1 59 59 TYR CA C 13 57.400 0.1 . 1 . . . . 59 TYR CA . 26936 1 348 . 1 1 59 59 TYR CB C 13 43.110 0.1 . 1 . . . . 59 TYR CB . 26936 1 349 . 1 1 59 59 TYR N N 15 120.023 0.1 . 1 . . . . 59 TYR N . 26936 1 350 . 1 1 60 60 ALA H H 1 8.412 0.01 . 1 . . . . 60 ALA H . 26936 1 351 . 1 1 60 60 ALA HA H 1 4.591 0.01 . 1 . . . . 60 ALA HA . 26936 1 352 . 1 1 60 60 ALA C C 13 179.150 0.1 . 1 . . . . 60 ALA C . 26936 1 353 . 1 1 60 60 ALA CA C 13 52.570 0.1 . 1 . . . . 60 ALA CA . 26936 1 354 . 1 1 60 60 ALA CB C 13 19.600 0.1 . 1 . . . . 60 ALA CB . 26936 1 355 . 1 1 60 60 ALA N N 15 125.617 0.002 . 1 . . . . 60 ALA N . 26936 1 356 . 1 1 61 61 ASP H H 1 8.995 0.01 . 1 . . . . 61 ASP H . 26936 1 357 . 1 1 61 61 ASP HA H 1 4.359 0.01 . 1 . . . . 61 ASP HA . 26936 1 358 . 1 1 61 61 ASP C C 13 178.500 0.1 . 1 . . . . 61 ASP C . 26936 1 359 . 1 1 61 61 ASP CA C 13 57.680 0.1 . 1 . . . . 61 ASP CA . 26936 1 360 . 1 1 61 61 ASP CB C 13 40.500 0.1 . 1 . . . . 61 ASP CB . 26936 1 361 . 1 1 61 61 ASP N N 15 123.124 0.1 . 1 . . . . 61 ASP N . 26936 1 362 . 1 1 62 62 SER H H 1 8.205 0.01 . 1 . . . . 62 SER H . 26936 1 363 . 1 1 62 62 SER HA H 1 4.201 0.01 . 1 . . . . 62 SER HA . 26936 1 364 . 1 1 62 62 SER C C 13 175.920 0.1 . 1 . . . . 62 SER C . 26936 1 365 . 1 1 62 62 SER CA C 13 60.130 0.1 . 1 . . . . 62 SER CA . 26936 1 366 . 1 1 62 62 SER CB C 13 62.950 0.1 . 1 . . . . 62 SER CB . 26936 1 367 . 1 1 62 62 SER N N 15 110.712 0.001 . 1 . . . . 62 SER N . 26936 1 368 . 1 1 63 63 VAL H H 1 7.282 0.01 . 1 . . . . 63 VAL H . 26936 1 369 . 1 1 63 63 VAL HA H 1 4.136 0.01 . 1 . . . . 63 VAL HA . 26936 1 370 . 1 1 63 63 VAL C C 13 175.740 0.1 . 1 . . . . 63 VAL C . 26936 1 371 . 1 1 63 63 VAL CA C 13 60.600 0.1 . 1 . . . . 63 VAL CA . 26936 1 372 . 1 1 63 63 VAL CB C 13 32.030 0.1 . 1 . . . . 63 VAL CB . 26936 1 373 . 1 1 63 63 VAL N N 15 111.663 0.1 . 1 . . . . 63 VAL N . 26936 1 374 . 1 1 64 64 ALA H H 1 7.219 0.01 . 1 . . . . 64 ALA H . 26936 1 375 . 1 1 64 64 ALA HA H 1 3.552 0.01 . 1 . . . . 64 ALA HA . 26936 1 376 . 1 1 64 64 ALA C C 13 177.490 0.1 . 1 . . . . 64 ALA C . 26936 1 377 . 1 1 64 64 ALA CA C 13 54.620 0.1 . 1 . . . . 64 ALA CA . 26936 1 378 . 1 1 64 64 ALA CB C 13 18.760 0.1 . 1 . . . . 64 ALA CB . 26936 1 379 . 1 1 64 64 ALA N N 15 125.864 0.001 . 1 . . . . 64 ALA N . 26936 1 380 . 1 1 65 65 ASP H H 1 8.645 0.01 . 1 . . . . 65 ASP H . 26936 1 381 . 1 1 65 65 ASP HA H 1 4.304 0.01 . 1 . . . . 65 ASP HA . 26936 1 382 . 1 1 65 65 ASP C C 13 176.390 0.1 . 1 . . . . 65 ASP C . 26936 1 383 . 1 1 65 65 ASP CA C 13 55.780 0.1 . 1 . . . . 65 ASP CA . 26936 1 384 . 1 1 65 65 ASP CB C 13 42.630 0.1 . 1 . . . . 65 ASP CB . 26936 1 385 . 1 1 65 65 ASP N N 15 114.942 0.1 . 1 . . . . 65 ASP N . 26936 1 386 . 1 1 66 66 ARG H H 1 7.645 0.01 . 1 . . . . 66 ARG H . 26936 1 387 . 1 1 66 66 ARG HA H 1 4.604 0.01 . 1 . . . . 66 ARG HA . 26936 1 388 . 1 1 66 66 ARG C C 13 175.440 0.1 . 1 . . . . 66 ARG C . 26936 1 389 . 1 1 66 66 ARG CA C 13 57.490 0.1 . 1 . . . . 66 ARG CA . 26936 1 390 . 1 1 66 66 ARG CB C 13 31.940 0.1 . 1 . . . . 66 ARG CB . 26936 1 391 . 1 1 66 66 ARG N N 15 116.477 0.1 . 1 . . . . 66 ARG N . 26936 1 392 . 1 1 67 67 PHE H H 1 7.786 0.01 . 1 . . . . 67 PHE H . 26936 1 393 . 1 1 67 67 PHE HA H 1 5.942 0.01 . 1 . . . . 67 PHE HA . 26936 1 394 . 1 1 67 67 PHE C C 13 174.900 0.1 . 1 . . . . 67 PHE C . 26936 1 395 . 1 1 67 67 PHE CA C 13 52.880 0.1 . 1 . . . . 67 PHE CA . 26936 1 396 . 1 1 67 67 PHE CB C 13 39.430 0.1 . 1 . . . . 67 PHE CB . 26936 1 397 . 1 1 67 67 PHE N N 15 120.514 0.1 . 1 . . . . 67 PHE N . 26936 1 398 . 1 1 68 68 THR H H 1 8.897 0.01 . 1 . . . . 68 THR H . 26936 1 399 . 1 1 68 68 THR HA H 1 5.244 0.01 . 1 . . . . 68 THR HA . 26936 1 400 . 1 1 68 68 THR C C 13 174.420 0.1 . 1 . . . . 68 THR C . 26936 1 401 . 1 1 68 68 THR CA C 13 61.160 0.1 . 1 . . . . 68 THR CA . 26936 1 402 . 1 1 68 68 THR CB C 13 72.130 0.1 . 1 . . . . 68 THR CB . 26936 1 403 . 1 1 68 68 THR N N 15 112.195 0.001 . 1 . . . . 68 THR N . 26936 1 404 . 1 1 69 69 ILE H H 1 9.294 0.01 . 1 . . . . 69 ILE H . 26936 1 405 . 1 1 69 69 ILE HA H 1 5.474 0.01 . 1 . . . . 69 ILE HA . 26936 1 406 . 1 1 69 69 ILE C C 13 171.590 0.1 . 1 . . . . 69 ILE C . 26936 1 407 . 1 1 69 69 ILE CA C 13 58.360 0.1 . 1 . . . . 69 ILE CA . 26936 1 408 . 1 1 69 69 ILE CB C 13 41.710 0.1 . 1 . . . . 69 ILE CB . 26936 1 409 . 1 1 69 69 ILE N N 15 131.862 0.1 . 1 . . . . 69 ILE N . 26936 1 410 . 1 1 70 70 SER H H 1 8.481 0.01 . 1 . . . . 70 SER H . 26936 1 411 . 1 1 70 70 SER HA H 1 4.652 0.01 . 1 . . . . 70 SER HA . 26936 1 412 . 1 1 70 70 SER C C 13 171.930 0.1 . 1 . . . . 70 SER C . 26936 1 413 . 1 1 70 70 SER CA C 13 57.670 0.1 . 1 . . . . 70 SER CA . 26936 1 414 . 1 1 70 70 SER CB C 13 65.720 0.1 . 1 . . . . 70 SER CB . 26936 1 415 . 1 1 70 70 SER N N 15 118.175 0.1 . 1 . . . . 70 SER N . 26936 1 416 . 1 1 71 71 ARG H H 1 9.145 0.01 . 1 . . . . 71 ARG H . 26936 1 417 . 1 1 71 71 ARG HA H 1 5.204 0.01 . 1 . . . . 71 ARG HA . 26936 1 418 . 1 1 71 71 ARG C C 13 173.630 0.1 . 1 . . . . 71 ARG C . 26936 1 419 . 1 1 71 71 ARG CA C 13 54.890 0.1 . 1 . . . . 71 ARG CA . 26936 1 420 . 1 1 71 71 ARG CB C 13 35.680 0.1 . 1 . . . . 71 ARG CB . 26936 1 421 . 1 1 71 71 ARG N N 15 121.397 0.1 . 1 . . . . 71 ARG N . 26936 1 422 . 1 1 72 72 ASP H H 1 9.232 0.01 . 1 . . . . 72 ASP H . 26936 1 423 . 1 1 72 72 ASP HA H 1 4.874 0.01 . 1 . . . . 72 ASP HA . 26936 1 424 . 1 1 72 72 ASP C C 13 176.890 0.1 . 1 . . . . 72 ASP C . 26936 1 425 . 1 1 72 72 ASP CA C 13 52.090 0.1 . 1 . . . . 72 ASP CA . 26936 1 426 . 1 1 72 72 ASP CB C 13 41.660 0.1 . 1 . . . . 72 ASP CB . 26936 1 427 . 1 1 72 72 ASP N N 15 126.269 0.1 . 1 . . . . 72 ASP N . 26936 1 428 . 1 1 73 73 VAL H H 1 8.441 0.01 . 1 . . . . 73 VAL H . 26936 1 429 . 1 1 73 73 VAL HA H 1 3.342 0.01 . 1 . . . . 73 VAL HA . 26936 1 430 . 1 1 73 73 VAL C C 13 179.390 0.1 . 1 . . . . 73 VAL C . 26936 1 431 . 1 1 73 73 VAL CA C 13 66.380 0.1 . 1 . . . . 73 VAL CA . 26936 1 432 . 1 1 73 73 VAL CB C 13 31.990 0.1 . 1 . . . . 73 VAL CB . 26936 1 433 . 1 1 73 73 VAL N N 15 124.784 0.001 . 1 . . . . 73 VAL N . 26936 1 434 . 1 1 74 74 ALA H H 1 8.463 0.01 . 1 . . . . 74 ALA H . 26936 1 435 . 1 1 74 74 ALA HA H 1 4.170 0.01 . 1 . . . . 74 ALA HA . 26936 1 436 . 1 1 74 74 ALA C C 13 179.490 0.1 . 1 . . . . 74 ALA C . 26936 1 437 . 1 1 74 74 ALA CA C 13 55.320 0.1 . 1 . . . . 74 ALA CA . 26936 1 438 . 1 1 74 74 ALA CB C 13 18.320 0.1 . 1 . . . . 74 ALA CB . 26936 1 439 . 1 1 74 74 ALA N N 15 123.522 0.001 . 1 . . . . 74 ALA N . 26936 1 440 . 1 1 75 75 ASN H H 1 7.525 0.01 . 1 . . . . 75 ASN H . 26936 1 441 . 1 1 75 75 ASN HA H 1 4.916 0.01 . 1 . . . . 75 ASN HA . 26936 1 442 . 1 1 75 75 ASN HD21 H 1 6.948 0.01 . 1 . . . . 75 ASN HD21 . 26936 1 443 . 1 1 75 75 ASN HD22 H 1 8.626 0.01 . 1 . . . . 75 ASN HD22 . 26936 1 444 . 1 1 75 75 ASN C C 13 175.540 0.1 . 1 . . . . 75 ASN C . 26936 1 445 . 1 1 75 75 ASN CA C 13 52.630 0.1 . 1 . . . . 75 ASN CA . 26936 1 446 . 1 1 75 75 ASN CB C 13 38.750 0.1 . 1 . . . . 75 ASN CB . 26936 1 447 . 1 1 75 75 ASN N N 15 111.656 0.1 . 1 . . . . 75 ASN N . 26936 1 448 . 1 1 75 75 ASN ND2 N 15 116.799 0.009 . 1 . . . . 75 ASN ND2 . 26936 1 449 . 1 1 76 76 ASN H H 1 8.218 0.01 . 1 . . . . 76 ASN H . 26936 1 450 . 1 1 76 76 ASN HA H 1 4.382 0.01 . 1 . . . . 76 ASN HA . 26936 1 451 . 1 1 76 76 ASN HD21 H 1 8.255 0.01 . 1 . . . . 76 ASN HD21 . 26936 1 452 . 1 1 76 76 ASN HD22 H 1 8.438 0.01 . 1 . . . . 76 ASN HD22 . 26936 1 453 . 1 1 76 76 ASN C C 13 172.770 0.1 . 1 . . . . 76 ASN C . 26936 1 454 . 1 1 76 76 ASN CA C 13 54.160 0.1 . 1 . . . . 76 ASN CA . 26936 1 455 . 1 1 76 76 ASN CB C 13 38.420 0.1 . 1 . . . . 76 ASN CB . 26936 1 456 . 1 1 76 76 ASN N N 15 123.628 0.1 . 1 . . . . 76 ASN N . 26936 1 457 . 1 1 76 76 ASN ND2 N 15 112.134 0.006 . 1 . . . . 76 ASN ND2 . 26936 1 458 . 1 1 77 77 THR H H 1 7.866 0.01 . 1 . . . . 77 THR H . 26936 1 459 . 1 1 77 77 THR HA H 1 4.957 0.01 . 1 . . . . 77 THR HA . 26936 1 460 . 1 1 77 77 THR C C 13 170.700 0.1 . 1 . . . . 77 THR C . 26936 1 461 . 1 1 77 77 THR CA C 13 61.490 0.1 . 1 . . . . 77 THR CA . 26936 1 462 . 1 1 77 77 THR CB C 13 71.660 0.1 . 1 . . . . 77 THR CB . 26936 1 463 . 1 1 77 77 THR N N 15 109.264 0.001 . 1 . . . . 77 THR N . 26936 1 464 . 1 1 78 78 LEU H H 1 9.184 0.01 . 1 . . . . 78 LEU H . 26936 1 465 . 1 1 78 78 LEU HA H 1 4.852 0.01 . 1 . . . . 78 LEU HA . 26936 1 466 . 1 1 78 78 LEU C C 13 174.480 0.1 . 1 . . . . 78 LEU C . 26936 1 467 . 1 1 78 78 LEU CA C 13 52.810 0.1 . 1 . . . . 78 LEU CA . 26936 1 468 . 1 1 78 78 LEU CB C 13 48.090 0.1 . 1 . . . . 78 LEU CB . 26936 1 469 . 1 1 78 78 LEU N N 15 129.633 0.1 . 1 . . . . 78 LEU N . 26936 1 470 . 1 1 79 79 TYR H H 1 9.311 0.01 . 1 . . . . 79 TYR H . 26936 1 471 . 1 1 79 79 TYR HA H 1 5.848 0.01 . 1 . . . . 79 TYR HA . 26936 1 472 . 1 1 79 79 TYR C C 13 176.510 0.1 . 1 . . . . 79 TYR C . 26936 1 473 . 1 1 79 79 TYR CA C 13 57.110 0.1 . 1 . . . . 79 TYR CA . 26936 1 474 . 1 1 79 79 TYR CB C 13 42.270 0.1 . 1 . . . . 79 TYR CB . 26936 1 475 . 1 1 79 79 TYR N N 15 123.779 0.1 . 1 . . . . 79 TYR N . 26936 1 476 . 1 1 80 80 LEU H H 1 8.753 0.01 . 1 . . . . 80 LEU H . 26936 1 477 . 1 1 80 80 LEU HA H 1 4.703 0.01 . 1 . . . . 80 LEU HA . 26936 1 478 . 1 1 80 80 LEU C C 13 174.250 0.1 . 1 . . . . 80 LEU C . 26936 1 479 . 1 1 80 80 LEU CA C 13 53.630 0.1 . 1 . . . . 80 LEU CA . 26936 1 480 . 1 1 80 80 LEU CB C 13 43.080 0.1 . 1 . . . . 80 LEU CB . 26936 1 481 . 1 1 80 80 LEU N N 15 122.408 0.1 . 1 . . . . 80 LEU N . 26936 1 482 . 1 1 81 81 GLN H H 1 9.181 0.01 . 1 . . . . 81 GLN H . 26936 1 483 . 1 1 81 81 GLN HA H 1 4.260 0.01 . 1 . . . . 81 GLN HA . 26936 1 484 . 1 1 81 81 GLN HE21 H 1 7.039 0.01 . 1 . . . . 81 GLN HE21 . 26936 1 485 . 1 1 81 81 GLN HE22 H 1 6.895 0.01 . 1 . . . . 81 GLN HE22 . 26936 1 486 . 1 1 81 81 GLN C C 13 174.100 0.1 . 1 . . . . 81 GLN C . 26936 1 487 . 1 1 81 81 GLN CA C 13 54.880 0.1 . 1 . . . . 81 GLN CA . 26936 1 488 . 1 1 81 81 GLN CB C 13 29.130 0.1 . 1 . . . . 81 GLN CB . 26936 1 489 . 1 1 81 81 GLN N N 15 128.818 0.1 . 1 . . . . 81 GLN N . 26936 1 490 . 1 1 81 81 GLN NE2 N 15 113.167 0.008 . 1 . . . . 81 GLN NE2 . 26936 1 491 . 1 1 82 82 MET H H 1 8.818 0.01 . 1 . . . . 82 MET H . 26936 1 492 . 1 1 82 82 MET HA H 1 3.858 0.01 . 1 . . . . 82 MET HA . 26936 1 493 . 1 1 82 82 MET C C 13 173.360 0.1 . 1 . . . . 82 MET C . 26936 1 494 . 1 1 82 82 MET CA C 13 54.570 0.1 . 1 . . . . 82 MET CA . 26936 1 495 . 1 1 82 82 MET CB C 13 34.970 0.1 . 1 . . . . 82 MET CB . 26936 1 496 . 1 1 82 82 MET N N 15 127.432 0.1 . 1 . . . . 82 MET N . 26936 1 497 . 1 1 83 83 ASN H H 1 7.462 0.01 . 1 . . . . 83 ASN H . 26936 1 498 . 1 1 83 83 ASN HA H 1 5.118 0.01 . 1 . . . . 83 ASN HA . 26936 1 499 . 1 1 83 83 ASN HD21 H 1 6.834 0.01 . 1 . . . . 83 ASN HD21 . 26936 1 500 . 1 1 83 83 ASN HD22 H 1 7.450 0.01 . 1 . . . . 83 ASN HD22 . 26936 1 501 . 1 1 83 83 ASN C C 13 173.320 0.1 . 1 . . . . 83 ASN C . 26936 1 502 . 1 1 83 83 ASN CA C 13 51.380 0.1 . 1 . . . . 83 ASN CA . 26936 1 503 . 1 1 83 83 ASN CB C 13 41.290 0.1 . 1 . . . . 83 ASN CB . 26936 1 504 . 1 1 83 83 ASN N N 15 119.939 0.1 . 1 . . . . 83 ASN N . 26936 1 505 . 1 1 83 83 ASN ND2 N 15 113.843 0.014 . 1 . . . . 83 ASN ND2 . 26936 1 506 . 1 1 84 84 SER H H 1 8.588 0.01 . 1 . . . . 84 SER H . 26936 1 507 . 1 1 84 84 SER HA H 1 4.109 0.01 . 1 . . . . 84 SER HA . 26936 1 508 . 1 1 84 84 SER C C 13 176.100 0.1 . 1 . . . . 84 SER C . 26936 1 509 . 1 1 84 84 SER CA C 13 57.580 0.1 . 1 . . . . 84 SER CA . 26936 1 510 . 1 1 84 84 SER CB C 13 62.000 0.1 . 1 . . . . 84 SER CB . 26936 1 511 . 1 1 84 84 SER N N 15 111.148 0.001 . 1 . . . . 84 SER N . 26936 1 512 . 1 1 85 85 LEU H H 1 8.101 0.01 . 1 . . . . 85 LEU H . 26936 1 513 . 1 1 85 85 LEU HA H 1 3.955 0.01 . 1 . . . . 85 LEU HA . 26936 1 514 . 1 1 85 85 LEU C C 13 177.140 0.1 . 1 . . . . 85 LEU C . 26936 1 515 . 1 1 85 85 LEU CA C 13 56.860 0.1 . 1 . . . . 85 LEU CA . 26936 1 516 . 1 1 85 85 LEU CB C 13 42.760 0.1 . 1 . . . . 85 LEU CB . 26936 1 517 . 1 1 85 85 LEU N N 15 118.447 0.001 . 1 . . . . 85 LEU N . 26936 1 518 . 1 1 86 86 LYS H H 1 9.528 0.01 . 1 . . . . 86 LYS H . 26936 1 519 . 1 1 86 86 LYS HA H 1 4.730 0.01 . 1 . . . . 86 LYS HA . 26936 1 520 . 1 1 86 86 LYS C C 13 177.590 0.1 . 1 . . . . 86 LYS C . 26936 1 521 . 1 1 86 86 LYS CA C 13 54.100 0.1 . 1 . . . . 86 LYS CA . 26936 1 522 . 1 1 86 86 LYS CB C 13 36.480 0.1 . 1 . . . . 86 LYS CB . 26936 1 523 . 1 1 86 86 LYS N N 15 121.322 0.1 . 1 . . . . 86 LYS N . 26936 1 524 . 1 1 87 87 HIS H H 1 8.910 0.01 . 1 . . . . 87 HIS H . 26936 1 525 . 1 1 87 87 HIS HA H 1 4.204 0.01 . 1 . . . . 87 HIS HA . 26936 1 526 . 1 1 87 87 HIS C C 13 178.730 0.1 . 1 . . . . 87 HIS C . 26936 1 527 . 1 1 87 87 HIS CA C 13 61.470 0.1 . 1 . . . . 87 HIS CA . 26936 1 528 . 1 1 87 87 HIS CB C 13 30.240 0.1 . 1 . . . . 87 HIS CB . 26936 1 529 . 1 1 87 87 HIS N N 15 121.919 0.1 . 1 . . . . 87 HIS N . 26936 1 530 . 1 1 88 88 GLU H H 1 9.494 0.01 . 1 . . . . 88 GLU H . 26936 1 531 . 1 1 88 88 GLU HA H 1 4.282 0.01 . 1 . . . . 88 GLU HA . 26936 1 532 . 1 1 88 88 GLU C C 13 175.960 0.1 . 1 . . . . 88 GLU C . 26936 1 533 . 1 1 88 88 GLU CA C 13 58.940 0.1 . 1 . . . . 88 GLU CA . 26936 1 534 . 1 1 88 88 GLU CB C 13 28.760 0.1 . 1 . . . . 88 GLU CB . 26936 1 535 . 1 1 88 88 GLU N N 15 116.180 0.1 . 1 . . . . 88 GLU N . 26936 1 536 . 1 1 89 89 ASP H H 1 8.360 0.01 . 1 . . . . 89 ASP H . 26936 1 537 . 1 1 89 89 ASP HA H 1 4.785 0.01 . 1 . . . . 89 ASP HA . 26936 1 538 . 1 1 89 89 ASP C C 13 177.010 0.1 . 1 . . . . 89 ASP C . 26936 1 539 . 1 1 89 89 ASP CA C 13 55.130 0.1 . 1 . . . . 89 ASP CA . 26936 1 540 . 1 1 89 89 ASP CB C 13 42.490 0.1 . 1 . . . . 89 ASP CB . 26936 1 541 . 1 1 89 89 ASP N N 15 117.629 0.1 . 1 . . . . 89 ASP N . 26936 1 542 . 1 1 90 90 THR H H 1 7.872 0.01 . 1 . . . . 90 THR H . 26936 1 543 . 1 1 90 90 THR HA H 1 4.561 0.01 . 1 . . . . 90 THR HA . 26936 1 544 . 1 1 90 90 THR C C 13 174.400 0.1 . 1 . . . . 90 THR C . 26936 1 545 . 1 1 90 90 THR CA C 13 64.710 0.1 . 1 . . . . 90 THR CA . 26936 1 546 . 1 1 90 90 THR CB C 13 69.680 0.1 . 1 . . . . 90 THR CB . 26936 1 547 . 1 1 90 90 THR N N 15 120.710 0.001 . 1 . . . . 90 THR N . 26936 1 548 . 1 1 91 91 ALA H H 1 9.079 0.01 . 1 . . . . 91 ALA H . 26936 1 549 . 1 1 91 91 ALA HA H 1 4.491 0.01 . 1 . . . . 91 ALA HA . 26936 1 550 . 1 1 91 91 ALA C C 13 175.360 0.1 . 1 . . . . 91 ALA C . 26936 1 551 . 1 1 91 91 ALA CA C 13 52.700 0.1 . 1 . . . . 91 ALA CA . 26936 1 552 . 1 1 91 91 ALA CB C 13 21.190 0.1 . 1 . . . . 91 ALA CB . 26936 1 553 . 1 1 91 91 ALA N N 15 127.810 0.1 . 1 . . . . 91 ALA N . 26936 1 554 . 1 1 92 92 VAL H H 1 7.563 0.01 . 1 . . . . 92 VAL H . 26936 1 555 . 1 1 92 92 VAL HA H 1 4.131 0.01 . 1 . . . . 92 VAL HA . 26936 1 556 . 1 1 92 92 VAL C C 13 175.260 0.1 . 1 . . . . 92 VAL C . 26936 1 557 . 1 1 92 92 VAL CA C 13 62.860 0.1 . 1 . . . . 92 VAL CA . 26936 1 558 . 1 1 92 92 VAL CB C 13 32.260 0.1 . 1 . . . . 92 VAL CB . 26936 1 559 . 1 1 92 92 VAL N N 15 118.459 0.1 . 1 . . . . 92 VAL N . 26936 1 560 . 1 1 93 93 TYR H H 1 9.179 0.01 . 1 . . . . 93 TYR H . 26936 1 561 . 1 1 93 93 TYR HA H 1 4.912 0.01 . 1 . . . . 93 TYR HA . 26936 1 562 . 1 1 93 93 TYR C C 13 174.710 0.1 . 1 . . . . 93 TYR C . 26936 1 563 . 1 1 93 93 TYR CA C 13 57.980 0.1 . 1 . . . . 93 TYR CA . 26936 1 564 . 1 1 93 93 TYR CB C 13 40.710 0.1 . 1 . . . . 93 TYR CB . 26936 1 565 . 1 1 93 93 TYR N N 15 127.749 0.1 . 1 . . . . 93 TYR N . 26936 1 566 . 1 1 94 94 TYR H H 1 9.540 0.01 . 1 . . . . 94 TYR H . 26936 1 567 . 1 1 94 94 TYR HA H 1 5.167 0.01 . 1 . . . . 94 TYR HA . 26936 1 568 . 1 1 94 94 TYR C C 13 174.860 0.1 . 1 . . . . 94 TYR C . 26936 1 569 . 1 1 94 94 TYR CA C 13 56.480 0.1 . 1 . . . . 94 TYR CA . 26936 1 570 . 1 1 94 94 TYR CB C 13 42.240 0.1 . 1 . . . . 94 TYR CB . 26936 1 571 . 1 1 94 94 TYR N N 15 119.091 0.1 . 1 . . . . 94 TYR N . 26936 1 572 . 1 1 95 95 CYS H H 1 10.462 0.01 . 1 . . . . 95 CYS H . 26936 1 573 . 1 1 95 95 CYS HA H 1 3.833 0.01 . 1 . . . . 95 CYS HA . 26936 1 574 . 1 1 95 95 CYS C C 13 171.330 0.1 . 1 . . . . 95 CYS C . 26936 1 575 . 1 1 95 95 CYS CA C 13 54.300 0.1 . 1 . . . . 95 CYS CA . 26936 1 576 . 1 1 95 95 CYS CB C 13 41.830 0.1 . 1 . . . . 95 CYS CB . 26936 1 577 . 1 1 95 95 CYS N N 15 125.839 0.1 . 1 . . . . 95 CYS N . 26936 1 578 . 1 1 96 96 ALA H H 1 8.322 0.01 . 1 . . . . 96 ALA H . 26936 1 579 . 1 1 96 96 ALA HA H 1 4.455 0.01 . 1 . . . . 96 ALA HA . 26936 1 580 . 1 1 96 96 ALA C C 13 175.730 0.1 . 1 . . . . 96 ALA C . 26936 1 581 . 1 1 96 96 ALA CA C 13 49.970 0.1 . 1 . . . . 96 ALA CA . 26936 1 582 . 1 1 96 96 ALA CB C 13 20.950 0.1 . 1 . . . . 96 ALA CB . 26936 1 583 . 1 1 96 96 ALA N N 15 127.861 0.1 . 1 . . . . 96 ALA N . 26936 1 584 . 1 1 97 97 ALA H H 1 8.927 0.01 . 1 . . . . 97 ALA H . 26936 1 585 . 1 1 97 97 ALA HA H 1 5.224 0.01 . 1 . . . . 97 ALA HA . 26936 1 586 . 1 1 97 97 ALA C C 13 176.280 0.1 . 1 . . . . 97 ALA C . 26936 1 587 . 1 1 97 97 ALA CA C 13 50.090 0.1 . 1 . . . . 97 ALA CA . 26936 1 588 . 1 1 97 97 ALA CB C 13 26.070 0.1 . 1 . . . . 97 ALA CB . 26936 1 589 . 1 1 97 97 ALA N N 15 123.580 0.1 . 1 . . . . 97 ALA N . 26936 1 590 . 1 1 98 98 ARG H H 1 7.961 0.01 . 1 . . . . 98 ARG H . 26936 1 591 . 1 1 98 98 ARG HA H 1 5.012 0.01 . 1 . . . . 98 ARG HA . 26936 1 592 . 1 1 98 98 ARG C C 13 175.530 0.1 . 1 . . . . 98 ARG C . 26936 1 593 . 1 1 98 98 ARG CA C 13 54.900 0.1 . 1 . . . . 98 ARG CA . 26936 1 594 . 1 1 98 98 ARG CB C 13 33.300 0.1 . 1 . . . . 98 ARG CB . 26936 1 595 . 1 1 98 98 ARG N N 15 120.068 0.1 . 1 . . . . 98 ARG N . 26936 1 596 . 1 1 99 99 ALA H H 1 9.470 0.01 . 1 . . . . 99 ALA H . 26936 1 597 . 1 1 99 99 ALA HA H 1 4.602 0.01 . 1 . . . . 99 ALA HA . 26936 1 598 . 1 1 99 99 ALA C C 13 176.800 0.1 . 1 . . . . 99 ALA C . 26936 1 599 . 1 1 99 99 ALA CA C 13 50.800 0.1 . 1 . . . . 99 ALA CA . 26936 1 600 . 1 1 99 99 ALA CB C 13 18.140 0.1 . 1 . . . . 99 ALA CB . 26936 1 601 . 1 1 99 99 ALA N N 15 125.546 0.1 . 1 . . . . 99 ALA N . 26936 1 602 . 1 1 100 100 PRO HA H 1 4.222 0.01 . 1 . . . . 100 PRO HA . 26936 1 603 . 1 1 100 100 PRO C C 13 176.330 0.1 . 1 . . . . 100 PRO C . 26936 1 604 . 1 1 100 100 PRO CA C 13 64.210 0.1 . 1 . . . . 100 PRO CA . 26936 1 605 . 1 1 100 100 PRO CB C 13 31.510 0.1 . 1 . . . . 100 PRO CB . 26936 1 606 . 1 1 101 101 VAL H H 1 7.416 0.01 . 1 . . . . 101 VAL H . 26936 1 607 . 1 1 101 101 VAL HA H 1 4.115 0.01 . 1 . . . . 101 VAL HA . 26936 1 608 . 1 1 101 101 VAL C C 13 176.010 0.1 . 1 . . . . 101 VAL C . 26936 1 609 . 1 1 101 101 VAL CA C 13 61.670 0.1 . 1 . . . . 101 VAL CA . 26936 1 610 . 1 1 101 101 VAL CB C 13 32.980 0.1 . 1 . . . . 101 VAL CB . 26936 1 611 . 1 1 101 101 VAL N N 15 115.533 0.001 . 1 . . . . 101 VAL N . 26936 1 612 . 1 1 102 102 GLY H H 1 8.268 0.01 . 1 . . . . 102 GLY H . 26936 1 613 . 1 1 102 102 GLY HA2 H 1 4.035 0.01 . 2 . . . . 102 GLY HA2 . 26936 1 614 . 1 1 102 102 GLY HA3 H 1 3.880 0.01 . 2 . . . . 102 GLY HA3 . 26936 1 615 . 1 1 102 102 GLY C C 13 173.810 0.1 . 1 . . . . 102 GLY C . 26936 1 616 . 1 1 102 102 GLY CA C 13 45.370 0.1 . 1 . . . . 102 GLY CA . 26936 1 617 . 1 1 102 102 GLY N N 15 112.459 0.1 . 1 . . . . 102 GLY N . 26936 1 618 . 1 1 103 103 GLN H H 1 8.390 0.01 . 1 . . . . 103 GLN H . 26936 1 619 . 1 1 103 103 GLN HA H 1 4.448 0.01 . 1 . . . . 103 GLN HA . 26936 1 620 . 1 1 103 103 GLN HE21 H 1 6.896 0.01 . 1 . . . . 103 GLN HE21 . 26936 1 621 . 1 1 103 103 GLN HE22 H 1 7.460 0.01 . 1 . . . . 103 GLN HE22 . 26936 1 622 . 1 1 103 103 GLN C C 13 175.700 0.1 . 1 . . . . 103 GLN C . 26936 1 623 . 1 1 103 103 GLN CA C 13 55.440 0.1 . 1 . . . . 103 GLN CA . 26936 1 624 . 1 1 103 103 GLN CB C 13 30.390 0.1 . 1 . . . . 103 GLN CB . 26936 1 625 . 1 1 103 103 GLN N N 15 119.339 0.1 . 1 . . . . 103 GLN N . 26936 1 626 . 1 1 103 103 GLN NE2 N 15 112.326 0.010 . 1 . . . . 103 GLN NE2 . 26936 1 627 . 1 1 104 104 SER H H 1 8.254 0.01 . 1 . . . . 104 SER H . 26936 1 628 . 1 1 104 104 SER N N 15 116.201 0.1 . 1 . . . . 104 SER N . 26936 1 629 . 1 1 105 105 SER HA H 1 4.437 0.01 . 1 . . . . 105 SER HA . 26936 1 630 . 1 1 105 105 SER C C 13 174.210 0.1 . 1 . . . . 105 SER C . 26936 1 631 . 1 1 105 105 SER CA C 13 58.550 0.1 . 1 . . . . 105 SER CA . 26936 1 632 . 1 1 105 105 SER CB C 13 64.040 0.1 . 1 . . . . 105 SER CB . 26936 1 633 . 1 1 106 106 SER H H 1 8.286 0.01 . 1 . . . . 106 SER H . 26936 1 634 . 1 1 106 106 SER CA C 13 55.660 0.1 . 1 . . . . 106 SER CA . 26936 1 635 . 1 1 106 106 SER CB C 13 64.140 0.1 . 1 . . . . 106 SER CB . 26936 1 636 . 1 1 106 106 SER N N 15 118.391 0.1 . 1 . . . . 106 SER N . 26936 1 637 . 1 1 107 107 PRO HA H 1 4.180 0.01 . 1 . . . . 107 PRO HA . 26936 1 638 . 1 1 107 107 PRO C C 13 176.600 0.1 . 1 . . . . 107 PRO C . 26936 1 639 . 1 1 107 107 PRO CA C 13 64.060 0.1 . 1 . . . . 107 PRO CA . 26936 1 640 . 1 1 107 107 PRO CB C 13 31.760 0.1 . 1 . . . . 107 PRO CB . 26936 1 641 . 1 1 108 108 TYR H H 1 7.623 0.01 . 1 . . . . 108 TYR H . 26936 1 642 . 1 1 108 108 TYR HA H 1 4.740 0.01 . 1 . . . . 108 TYR HA . 26936 1 643 . 1 1 108 108 TYR C C 13 175.090 0.1 . 1 . . . . 108 TYR C . 26936 1 644 . 1 1 108 108 TYR CA C 13 57.190 0.1 . 1 . . . . 108 TYR CA . 26936 1 645 . 1 1 108 108 TYR CB C 13 38.650 0.1 . 1 . . . . 108 TYR CB . 26936 1 646 . 1 1 108 108 TYR N N 15 114.991 0.001 . 1 . . . . 108 TYR N . 26936 1 647 . 1 1 109 109 ASP H H 1 7.240 0.01 . 1 . . . . 109 ASP H . 26936 1 648 . 1 1 109 109 ASP HA H 1 4.860 0.01 . 1 . . . . 109 ASP HA . 26936 1 649 . 1 1 109 109 ASP C C 13 174.530 0.1 . 1 . . . . 109 ASP C . 26936 1 650 . 1 1 109 109 ASP CA C 13 53.990 0.1 . 1 . . . . 109 ASP CA . 26936 1 651 . 1 1 109 109 ASP CB C 13 42.070 0.1 . 1 . . . . 109 ASP CB . 26936 1 652 . 1 1 109 109 ASP N N 15 119.814 0.1 . 1 . . . . 109 ASP N . 26936 1 653 . 1 1 110 110 TYR H H 1 8.152 0.01 . 1 . . . . 110 TYR H . 26936 1 654 . 1 1 110 110 TYR HA H 1 4.111 0.01 . 1 . . . . 110 TYR HA . 26936 1 655 . 1 1 110 110 TYR C C 13 173.890 0.1 . 1 . . . . 110 TYR C . 26936 1 656 . 1 1 110 110 TYR CA C 13 58.450 0.1 . 1 . . . . 110 TYR CA . 26936 1 657 . 1 1 110 110 TYR CB C 13 40.500 0.1 . 1 . . . . 110 TYR CB . 26936 1 658 . 1 1 110 110 TYR N N 15 119.319 0.1 . 1 . . . . 110 TYR N . 26936 1 659 . 1 1 111 111 ASP H H 1 7.419 0.01 . 1 . . . . 111 ASP H . 26936 1 660 . 1 1 111 111 ASP HA H 1 4.448 0.01 . 1 . . . . 111 ASP HA . 26936 1 661 . 1 1 111 111 ASP C C 13 175.110 0.1 . 1 . . . . 111 ASP C . 26936 1 662 . 1 1 111 111 ASP CA C 13 56.440 0.1 . 1 . . . . 111 ASP CA . 26936 1 663 . 1 1 111 111 ASP CB C 13 44.470 0.1 . 1 . . . . 111 ASP CB . 26936 1 664 . 1 1 111 111 ASP N N 15 118.215 0.001 . 1 . . . . 111 ASP N . 26936 1 665 . 1 1 112 112 TYR H H 1 7.773 0.01 . 1 . . . . 112 TYR H . 26936 1 666 . 1 1 112 112 TYR HA H 1 5.031 0.01 . 1 . . . . 112 TYR HA . 26936 1 667 . 1 1 112 112 TYR C C 13 173.020 0.1 . 1 . . . . 112 TYR C . 26936 1 668 . 1 1 112 112 TYR CA C 13 56.190 0.1 . 1 . . . . 112 TYR CA . 26936 1 669 . 1 1 112 112 TYR CB C 13 42.690 0.1 . 1 . . . . 112 TYR CB . 26936 1 670 . 1 1 112 112 TYR N N 15 115.410 0.001 . 1 . . . . 112 TYR N . 26936 1 671 . 1 1 113 113 TRP H H 1 8.660 0.01 . 1 . . . . 113 TRP H . 26936 1 672 . 1 1 113 113 TRP HA H 1 5.079 0.01 . 1 . . . . 113 TRP HA . 26936 1 673 . 1 1 113 113 TRP HE1 H 1 9.204 0.01 . 1 . . . . 113 TRP HE1 . 26936 1 674 . 1 1 113 113 TRP C C 13 177.840 0.1 . 1 . . . . 113 TRP C . 26936 1 675 . 1 1 113 113 TRP CA C 13 55.980 0.1 . 1 . . . . 113 TRP CA . 26936 1 676 . 1 1 113 113 TRP CB C 13 33.080 0.1 . 1 . . . . 113 TRP CB . 26936 1 677 . 1 1 113 113 TRP N N 15 121.218 0.1 . 1 . . . . 113 TRP N . 26936 1 678 . 1 1 113 113 TRP NE1 N 15 127.553 0.1 . 1 . . . . 113 TRP NE1 . 26936 1 679 . 1 1 114 114 GLY H H 1 9.340 0.01 . 1 . . . . 114 GLY H . 26936 1 680 . 1 1 114 114 GLY HA2 H 1 4.634 0.01 . 2 . . . . 114 GLY HA2 . 26936 1 681 . 1 1 114 114 GLY HA3 H 1 4.227 0.01 . 2 . . . . 114 GLY HA3 . 26936 1 682 . 1 1 114 114 GLY C C 13 173.660 0.1 . 1 . . . . 114 GLY C . 26936 1 683 . 1 1 114 114 GLY CA C 13 44.470 0.1 . 1 . . . . 114 GLY CA . 26936 1 684 . 1 1 114 114 GLY N N 15 110.968 0.1 . 1 . . . . 114 GLY N . 26936 1 685 . 1 1 115 115 GLN H H 1 8.609 0.01 . 1 . . . . 115 GLN H . 26936 1 686 . 1 1 115 115 GLN HA H 1 4.372 0.01 . 1 . . . . 115 GLN HA . 26936 1 687 . 1 1 115 115 GLN HE21 H 1 6.985 0.01 . 1 . . . . 115 GLN HE21 . 26936 1 688 . 1 1 115 115 GLN HE22 H 1 7.801 0.01 . 1 . . . . 115 GLN HE22 . 26936 1 689 . 1 1 115 115 GLN C C 13 177.580 0.1 . 1 . . . . 115 GLN C . 26936 1 690 . 1 1 115 115 GLN CA C 13 57.690 0.1 . 1 . . . . 115 GLN CA . 26936 1 691 . 1 1 115 115 GLN CB C 13 30.060 0.1 . 1 . . . . 115 GLN CB . 26936 1 692 . 1 1 115 115 GLN N N 15 118.016 0.1 . 1 . . . . 115 GLN N . 26936 1 693 . 1 1 115 115 GLN NE2 N 15 112.897 0.003 . 1 . . . . 115 GLN NE2 . 26936 1 694 . 1 1 116 116 GLY H H 1 10.197 0.01 . 1 . . . . 116 GLY H . 26936 1 695 . 1 1 116 116 GLY HA2 H 1 3.914 0.01 . 2 . . . . 116 GLY HA2 . 26936 1 696 . 1 1 116 116 GLY HA3 H 1 3.733 0.01 . 2 . . . . 116 GLY HA3 . 26936 1 697 . 1 1 116 116 GLY C C 13 173.970 0.1 . 1 . . . . 116 GLY C . 26936 1 698 . 1 1 116 116 GLY CA C 13 44.740 0.1 . 1 . . . . 116 GLY CA . 26936 1 699 . 1 1 116 116 GLY N N 15 113.220 0.1 . 1 . . . . 116 GLY N . 26936 1 700 . 1 1 117 117 THR H H 1 9.097 0.01 . 1 . . . . 117 THR H . 26936 1 701 . 1 1 117 117 THR HA H 1 4.739 0.01 . 1 . . . . 117 THR HA . 26936 1 702 . 1 1 117 117 THR C C 13 172.810 0.1 . 1 . . . . 117 THR C . 26936 1 703 . 1 1 117 117 THR CA C 13 60.330 0.1 . 1 . . . . 117 THR CA . 26936 1 704 . 1 1 117 117 THR CB C 13 70.990 0.1 . 1 . . . . 117 THR CB . 26936 1 705 . 1 1 117 117 THR N N 15 118.895 0.1 . 1 . . . . 117 THR N . 26936 1 706 . 1 1 118 118 GLN H H 1 8.768 0.01 . 1 . . . . 118 GLN H . 26936 1 707 . 1 1 118 118 GLN HA H 1 4.562 0.01 . 1 . . . . 118 GLN HA . 26936 1 708 . 1 1 118 118 GLN HE21 H 1 6.563 0.01 . 1 . . . . 118 GLN HE21 . 26936 1 709 . 1 1 118 118 GLN HE22 H 1 7.068 0.01 . 1 . . . . 118 GLN HE22 . 26936 1 710 . 1 1 118 118 GLN C C 13 175.870 0.1 . 1 . . . . 118 GLN C . 26936 1 711 . 1 1 118 118 GLN CA C 13 56.530 0.1 . 1 . . . . 118 GLN CA . 26936 1 712 . 1 1 118 118 GLN CB C 13 29.620 0.1 . 1 . . . . 118 GLN CB . 26936 1 713 . 1 1 118 118 GLN N N 15 130.654 0.1 . 1 . . . . 118 GLN N . 26936 1 714 . 1 1 118 118 GLN NE2 N 15 111.773 0.004 . 1 . . . . 118 GLN NE2 . 26936 1 715 . 1 1 119 119 VAL H H 1 8.935 0.01 . 1 . . . . 119 VAL H . 26936 1 716 . 1 1 119 119 VAL HA H 1 4.613 0.01 . 1 . . . . 119 VAL HA . 26936 1 717 . 1 1 119 119 VAL C C 13 174.350 0.1 . 1 . . . . 119 VAL C . 26936 1 718 . 1 1 119 119 VAL CA C 13 62.370 0.1 . 1 . . . . 119 VAL CA . 26936 1 719 . 1 1 119 119 VAL CB C 13 33.740 0.1 . 1 . . . . 119 VAL CB . 26936 1 720 . 1 1 119 119 VAL N N 15 128.867 0.001 . 1 . . . . 119 VAL N . 26936 1 721 . 1 1 120 120 THR H H 1 8.529 0.01 . 1 . . . . 120 THR H . 26936 1 722 . 1 1 120 120 THR HA H 1 4.576 0.01 . 1 . . . . 120 THR HA . 26936 1 723 . 1 1 120 120 THR C C 13 171.820 0.1 . 1 . . . . 120 THR C . 26936 1 724 . 1 1 120 120 THR CA C 13 61.790 0.1 . 1 . . . . 120 THR CA . 26936 1 725 . 1 1 120 120 THR CB C 13 70.600 0.1 . 1 . . . . 120 THR CB . 26936 1 726 . 1 1 120 120 THR N N 15 124.953 0.1 . 1 . . . . 120 THR N . 26936 1 727 . 1 1 121 121 VAL H H 1 8.517 0.01 . 1 . . . . 121 VAL H . 26936 1 728 . 1 1 121 121 VAL HA H 1 4.836 0.01 . 1 . . . . 121 VAL HA . 26936 1 729 . 1 1 121 121 VAL C C 13 175.760 0.1 . 1 . . . . 121 VAL C . 26936 1 730 . 1 1 121 121 VAL CA C 13 60.160 0.1 . 1 . . . . 121 VAL CA . 26936 1 731 . 1 1 121 121 VAL CB C 13 31.130 0.1 . 1 . . . . 121 VAL CB . 26936 1 732 . 1 1 121 121 VAL N N 15 129.139 0.1 . 1 . . . . 121 VAL N . 26936 1 733 . 1 1 122 122 SER H H 1 8.572 0.01 . 1 . . . . 122 SER H . 26936 1 734 . 1 1 122 122 SER HA H 1 4.740 0.01 . 1 . . . . 122 SER HA . 26936 1 735 . 1 1 122 122 SER C C 13 173.700 0.1 . 1 . . . . 122 SER C . 26936 1 736 . 1 1 122 122 SER CA C 13 57.050 0.1 . 1 . . . . 122 SER CA . 26936 1 737 . 1 1 122 122 SER CB C 13 65.400 0.1 . 1 . . . . 122 SER CB . 26936 1 738 . 1 1 122 122 SER N N 15 119.428 0.001 . 1 . . . . 122 SER N . 26936 1 739 . 1 1 123 123 SER HA H 1 4.574 0.01 . 1 . . . . 123 SER HA . 26936 1 740 . 1 1 123 123 SER C C 13 174.380 0.1 . 1 . . . . 123 SER C . 26936 1 741 . 1 1 123 123 SER CA C 13 58.420 0.1 . 1 . . . . 123 SER CA . 26936 1 742 . 1 1 123 123 SER CB C 13 63.930 0.1 . 1 . . . . 123 SER CB . 26936 1 743 . 1 1 124 124 LEU H H 1 8.335 0.01 . 1 . . . . 124 LEU H . 26936 1 744 . 1 1 124 124 LEU HA H 1 4.328 0.01 . 1 . . . . 124 LEU HA . 26936 1 745 . 1 1 124 124 LEU C C 13 177.060 0.1 . 1 . . . . 124 LEU C . 26936 1 746 . 1 1 124 124 LEU CA C 13 55.550 0.1 . 1 . . . . 124 LEU CA . 26936 1 747 . 1 1 124 124 LEU CB C 13 42.160 0.1 . 1 . . . . 124 LEU CB . 26936 1 748 . 1 1 124 124 LEU N N 15 123.922 0.1 . 1 . . . . 124 LEU N . 26936 1 749 . 1 1 125 125 GLU H H 1 8.410 0.01 . 1 . . . . 125 GLU H . 26936 1 750 . 1 1 125 125 GLU HA H 1 4.180 0.01 . 1 . . . . 125 GLU HA . 26936 1 751 . 1 1 125 125 GLU C C 13 177.230 0.1 . 1 . . . . 125 GLU C . 26936 1 752 . 1 1 125 125 GLU CA C 13 57.840 0.1 . 1 . . . . 125 GLU CA . 26936 1 753 . 1 1 125 125 GLU CB C 13 30.100 0.1 . 1 . . . . 125 GLU CB . 26936 1 754 . 1 1 125 125 GLU N N 15 123.302 0.1 . 1 . . . . 125 GLU N . 26936 1 755 . 1 1 126 126 VAL H H 1 7.948 0.01 . 1 . . . . 126 VAL H . 26936 1 756 . 1 1 126 126 VAL HA H 1 4.038 0.01 . 1 . . . . 126 VAL HA . 26936 1 757 . 1 1 126 126 VAL C C 13 175.950 0.1 . 1 . . . . 126 VAL C . 26936 1 758 . 1 1 126 126 VAL CA C 13 62.670 0.1 . 1 . . . . 126 VAL CA . 26936 1 759 . 1 1 126 126 VAL CB C 13 32.550 0.1 . 1 . . . . 126 VAL CB . 26936 1 760 . 1 1 126 126 VAL N N 15 118.576 0.1 . 1 . . . . 126 VAL N . 26936 1 761 . 1 1 127 127 LEU H H 1 7.988 0.01 . 1 . . . . 127 LEU H . 26936 1 762 . 1 1 127 127 LEU HA H 1 4.225 0.01 . 1 . . . . 127 LEU HA . 26936 1 763 . 1 1 127 127 LEU C C 13 175.950 0.1 . 1 . . . . 127 LEU C . 26936 1 764 . 1 1 127 127 LEU CA C 13 55.320 0.1 . 1 . . . . 127 LEU CA . 26936 1 765 . 1 1 127 127 LEU CB C 13 42.210 0.1 . 1 . . . . 127 LEU CB . 26936 1 766 . 1 1 127 127 LEU N N 15 123.130 0.1 . 1 . . . . 127 LEU N . 26936 1 767 . 1 1 128 128 PHE H H 1 8.028 0.01 . 1 . . . . 128 PHE H . 26936 1 768 . 1 1 128 128 PHE HA H 1 4.539 0.01 . 1 . . . . 128 PHE HA . 26936 1 769 . 1 1 128 128 PHE C C 13 174.820 0.1 . 1 . . . . 128 PHE C . 26936 1 770 . 1 1 128 128 PHE CA C 13 57.800 0.1 . 1 . . . . 128 PHE CA . 26936 1 771 . 1 1 128 128 PHE CB C 13 39.710 0.1 . 1 . . . . 128 PHE CB . 26936 1 772 . 1 1 128 128 PHE N N 15 119.816 0.1 . 1 . . . . 128 PHE N . 26936 1 773 . 1 1 129 129 GLN H H 1 7.652 0.01 . 1 . . . . 129 GLN H . 26936 1 774 . 1 1 129 129 GLN HA H 1 4.166 0.01 . 1 . . . . 129 GLN HA . 26936 1 775 . 1 1 129 129 GLN HE21 H 1 6.810 0.01 . 1 . . . . 129 GLN HE21 . 26936 1 776 . 1 1 129 129 GLN HE22 H 1 7.533 0.01 . 1 . . . . 129 GLN HE22 . 26936 1 777 . 1 1 129 129 GLN C C 13 180.290 0.1 . 1 . . . . 129 GLN C . 26936 1 778 . 1 1 129 129 GLN CA C 13 57.420 0.1 . 1 . . . . 129 GLN CA . 26936 1 779 . 1 1 129 129 GLN CB C 13 30.580 0.1 . 1 . . . . 129 GLN CB . 26936 1 780 . 1 1 129 129 GLN N N 15 125.818 0.1 . 1 . . . . 129 GLN N . 26936 1 781 . 1 1 129 129 GLN NE2 N 15 112.108 0.010 . 1 . . . . 129 GLN NE2 . 26936 1 stop_ save_