data_34921 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34921 _Entry.Title ; Solution structure of Tx33.1 from Conus textile ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-19 _Entry.Accession_date 2024-06-19 _Entry.Last_release_date 2024-07-17 _Entry.Original_release_date 2024-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Ellgaard L. . . . 34921 2 M. Khilji M. S. . . 34921 3 C. Hackney C. M. . . 34921 4 K. Teilum K. . . . 34921 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CONOTOXIN . 34921 TOXIN . 34921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 34921 '15N chemical shifts' 108 34921 '1H chemical shifts' 689 34921 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 . . 2025-06-24 . original BMRB . 34921 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9FRQ 'BMRB Entry Tracking System' 34921 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34921 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of Tx33.1 from Conus textile ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Khilji M. S. . . 34921 1 2 C. Hackney C. M. . . 34921 1 3 T. Koch T. L. . . 34921 1 4 A. Hone A. . . . 34921 1 5 A. Rogalski A. . . . 34921 1 6 M. Watkins M. . . . 34921 1 7 B. Olivera B. . . . 34921 1 8 M. McIntosh M. . . . 34921 1 9 H. Safavi-Hemami H. . . . 34921 1 10 K. Teilum K. . . . 34921 1 11 L. Ellgaard L. . . . 34921 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34921 _Assembly.ID 1 _Assembly.Name Tx33.1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34921 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_asym_ID_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_asym_ID_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 6 6 SG . 1 . 1 CYS 30 30 SG . . . . . . . . . . . . 34921 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . . . 34921 1 3 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . . . 34921 1 4 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 69 69 SG . . . . . . . . . . . . 34921 1 5 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 100 100 SG . . . . . . . . . . . . 34921 1 6 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 118 118 SG . . . . . . . . . . . . 34921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34921 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KSHTTCPTSTEIDSCSNDNN ACGKDVSGSCSSLCNCGNGQ TCFTDSNHTITLVPYYTEDG PFEKKYYTCGDPSELDECYD IDKALEVNESDDPNSVEVLC HCPSDKIYLWIHRGYYICIT PPQP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13735.990 _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 . LYS . 34921 1 2 . SER . 34921 1 3 . HIS . 34921 1 4 . THR . 34921 1 5 . THR . 34921 1 6 . CYS . 34921 1 7 . PRO . 34921 1 8 . THR . 34921 1 9 . SER . 34921 1 10 . THR . 34921 1 11 . GLU . 34921 1 12 . ILE . 34921 1 13 . ASP . 34921 1 14 . SER . 34921 1 15 . CYS . 34921 1 16 . SER . 34921 1 17 . ASN . 34921 1 18 . ASP . 34921 1 19 . ASN . 34921 1 20 . ASN . 34921 1 21 . ALA . 34921 1 22 . CYS . 34921 1 23 . GLY . 34921 1 24 . LYS . 34921 1 25 . ASP . 34921 1 26 . VAL . 34921 1 27 . SER . 34921 1 28 . GLY . 34921 1 29 . SER . 34921 1 30 . CYS . 34921 1 31 . SER . 34921 1 32 . SER . 34921 1 33 . LEU . 34921 1 34 . CYS . 34921 1 35 . ASN . 34921 1 36 . CYS . 34921 1 37 . GLY . 34921 1 38 . ASN . 34921 1 39 . GLY . 34921 1 40 . GLN . 34921 1 41 . THR . 34921 1 42 . CYS . 34921 1 43 . PHE . 34921 1 44 . THR . 34921 1 45 . ASP . 34921 1 46 . SER . 34921 1 47 . ASN . 34921 1 48 . HIS . 34921 1 49 . THR . 34921 1 50 . ILE . 34921 1 51 . THR . 34921 1 52 . LEU . 34921 1 53 . VAL . 34921 1 54 . PRO . 34921 1 55 . TYR . 34921 1 56 . TYR . 34921 1 57 . THR . 34921 1 58 . GLU . 34921 1 59 . ASP . 34921 1 60 . GLY . 34921 1 61 . PRO . 34921 1 62 . PHE . 34921 1 63 . GLU . 34921 1 64 . LYS . 34921 1 65 . LYS . 34921 1 66 . TYR . 34921 1 67 . TYR . 34921 1 68 . THR . 34921 1 69 . CYS . 34921 1 70 . GLY . 34921 1 71 . ASP . 34921 1 72 . PRO . 34921 1 73 . SER . 34921 1 74 . GLU . 34921 1 75 . LEU . 34921 1 76 . ASP . 34921 1 77 . GLU . 34921 1 78 . CYS . 34921 1 79 . TYR . 34921 1 80 . ASP . 34921 1 81 . ILE . 34921 1 82 . ASP . 34921 1 83 . LYS . 34921 1 84 . ALA . 34921 1 85 . LEU . 34921 1 86 . GLU . 34921 1 87 . VAL . 34921 1 88 . ASN . 34921 1 89 . GLU . 34921 1 90 . SER . 34921 1 91 . ASP . 34921 1 92 . ASP . 34921 1 93 . PRO . 34921 1 94 . ASN . 34921 1 95 . SER . 34921 1 96 . VAL . 34921 1 97 . GLU . 34921 1 98 . VAL . 34921 1 99 . LEU . 34921 1 100 . CYS . 34921 1 101 . HIS . 34921 1 102 . CYS . 34921 1 103 . PRO . 34921 1 104 . SER . 34921 1 105 . ASP . 34921 1 106 . LYS . 34921 1 107 . ILE . 34921 1 108 . TYR . 34921 1 109 . LEU . 34921 1 110 . TRP . 34921 1 111 . ILE . 34921 1 112 . HIS . 34921 1 113 . ARG . 34921 1 114 . GLY . 34921 1 115 . TYR . 34921 1 116 . TYR . 34921 1 117 . ILE . 34921 1 118 . CYS . 34921 1 119 . ILE . 34921 1 120 . THR . 34921 1 121 . PRO . 34921 1 122 . PRO . 34921 1 123 . GLN . 34921 1 124 . PRO . 34921 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 . LYS 1 1 34921 1 . SER 2 2 34921 1 . HIS 3 3 34921 1 . THR 4 4 34921 1 . THR 5 5 34921 1 . CYS 6 6 34921 1 . PRO 7 7 34921 1 . THR 8 8 34921 1 . SER 9 9 34921 1 . THR 10 10 34921 1 . GLU 11 11 34921 1 . ILE 12 12 34921 1 . ASP 13 13 34921 1 . SER 14 14 34921 1 . CYS 15 15 34921 1 . SER 16 16 34921 1 . ASN 17 17 34921 1 . ASP 18 18 34921 1 . ASN 19 19 34921 1 . ASN 20 20 34921 1 . ALA 21 21 34921 1 . CYS 22 22 34921 1 . GLY 23 23 34921 1 . LYS 24 24 34921 1 . ASP 25 25 34921 1 . VAL 26 26 34921 1 . SER 27 27 34921 1 . GLY 28 28 34921 1 . SER 29 29 34921 1 . CYS 30 30 34921 1 . SER 31 31 34921 1 . SER 32 32 34921 1 . LEU 33 33 34921 1 . CYS 34 34 34921 1 . ASN 35 35 34921 1 . CYS 36 36 34921 1 . GLY 37 37 34921 1 . ASN 38 38 34921 1 . GLY 39 39 34921 1 . GLN 40 40 34921 1 . THR 41 41 34921 1 . CYS 42 42 34921 1 . PHE 43 43 34921 1 . THR 44 44 34921 1 . ASP 45 45 34921 1 . SER 46 46 34921 1 . ASN 47 47 34921 1 . HIS 48 48 34921 1 . THR 49 49 34921 1 . ILE 50 50 34921 1 . THR 51 51 34921 1 . LEU 52 52 34921 1 . VAL 53 53 34921 1 . PRO 54 54 34921 1 . TYR 55 55 34921 1 . TYR 56 56 34921 1 . THR 57 57 34921 1 . GLU 58 58 34921 1 . ASP 59 59 34921 1 . GLY 60 60 34921 1 . PRO 61 61 34921 1 . PHE 62 62 34921 1 . GLU 63 63 34921 1 . LYS 64 64 34921 1 . LYS 65 65 34921 1 . TYR 66 66 34921 1 . TYR 67 67 34921 1 . THR 68 68 34921 1 . CYS 69 69 34921 1 . GLY 70 70 34921 1 . ASP 71 71 34921 1 . PRO 72 72 34921 1 . SER 73 73 34921 1 . GLU 74 74 34921 1 . LEU 75 75 34921 1 . ASP 76 76 34921 1 . GLU 77 77 34921 1 . CYS 78 78 34921 1 . TYR 79 79 34921 1 . ASP 80 80 34921 1 . ILE 81 81 34921 1 . ASP 82 82 34921 1 . LYS 83 83 34921 1 . ALA 84 84 34921 1 . LEU 85 85 34921 1 . GLU 86 86 34921 1 . VAL 87 87 34921 1 . ASN 88 88 34921 1 . GLU 89 89 34921 1 . SER 90 90 34921 1 . ASP 91 91 34921 1 . ASP 92 92 34921 1 . PRO 93 93 34921 1 . ASN 94 94 34921 1 . SER 95 95 34921 1 . VAL 96 96 34921 1 . GLU 97 97 34921 1 . VAL 98 98 34921 1 . LEU 99 99 34921 1 . CYS 100 100 34921 1 . HIS 101 101 34921 1 . CYS 102 102 34921 1 . PRO 103 103 34921 1 . SER 104 104 34921 1 . ASP 105 105 34921 1 . LYS 106 106 34921 1 . ILE 107 107 34921 1 . TYR 108 108 34921 1 . LEU 109 109 34921 1 . TRP 110 110 34921 1 . ILE 111 111 34921 1 . HIS 112 112 34921 1 . ARG 113 113 34921 1 . GLY 114 114 34921 1 . TYR 115 115 34921 1 . TYR 116 116 34921 1 . ILE 117 117 34921 1 . CYS 118 118 34921 1 . ILE 119 119 34921 1 . THR 120 120 34921 1 . PRO 121 121 34921 1 . PRO 122 122 34921 1 . GLN 123 123 34921 1 . PRO 124 124 34921 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 34921 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 6494 organism . 'Conus textile' 'Conus textile' . . Eukaryota Metazoa Conus textile . . . . . . . . . . . . . 34921 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 34921 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34921 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34921 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM MES, 50 mM sodium chloride, 0.01 % sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 34921 1 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 34921 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34921 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34921 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 34921 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34921 1 pH 6.5 0.05 pH 34921 1 pressure 1 . atm 34921 1 temperature 298 . K 34921 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34921 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34921 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34921 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34921 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34921 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34921 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34921 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34921 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34921 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34921 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34921 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 34921 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 600 . . . 34921 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 750 . . . 34921 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 34921 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 7 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34921 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34921 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34921 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34921 1 12 13C-NOESY-HSQC no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34921 1 13 '13C-NOESY-HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34921 1 14 15N-NOESY-HSQC no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34921 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34921 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34921 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34921 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34921 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34921 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34921 1 2 '3D HNCA' . . . 34921 1 3 '3D HNCACB' . . . 34921 1 4 '3D HNCO' . . . 34921 1 5 '3D HN(CA)CO' . . . 34921 1 6 '3D HN(CO)CA' . . . 34921 1 7 '3D HN(COCA)CB' . . . 34921 1 8 '3D H(CCO)NH' . . . 34921 1 9 '2D 1H-13C HSQC' . . . 34921 1 10 '2D 1H-13C HSQC aromatic' . . . 34921 1 11 '3D HCCH-TOCSY' . . . 34921 1 12 13C-NOESY-HSQC . . . 34921 1 13 '13C-NOESY-HSQC aromatic' . . . 34921 1 14 15N-NOESY-HSQC . . . 34921 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 THR HA H 1 4.682 0.003 . 1 . . . . A 5 THR HA . 34921 1 2 . 1 . 1 5 5 THR HB H 1 3.958 0.004 . 1 . . . . A 5 THR HB . 34921 1 3 . 1 . 1 5 5 THR HG21 H 1 1.008 0.002 . 1 . . . . A 5 THR HG21 . 34921 1 4 . 1 . 1 5 5 THR HG22 H 1 1.008 0.002 . 1 . . . . A 5 THR HG22 . 34921 1 5 . 1 . 1 5 5 THR HG23 H 1 1.008 0.002 . 1 . . . . A 5 THR HG23 . 34921 1 6 . 1 . 1 5 5 THR C C 13 178.398 0.000 . 1 . . . . A 5 THR C . 34921 1 7 . 1 . 1 5 5 THR CA C 13 60.245 0.016 . 1 . . . . A 5 THR CA . 34921 1 8 . 1 . 1 5 5 THR CB C 13 71.440 0.025 . 1 . . . . A 5 THR CB . 34921 1 9 . 1 . 1 5 5 THR CG2 C 13 22.196 0.042 . 1 . . . . A 5 THR CG2 . 34921 1 10 . 1 . 1 6 6 CYS H H 1 8.650 0.000 . 1 . . . . A 6 CYS H . 34921 1 11 . 1 . 1 6 6 CYS HA H 1 4.751 0.000 . 1 . . . . A 6 CYS HA . 34921 1 12 . 1 . 1 6 6 CYS HB2 H 1 2.787 0.000 . 2 . . . . A 6 CYS HB2 . 34921 1 13 . 1 . 1 6 6 CYS HB3 H 1 3.300 0.000 . 2 . . . . A 6 CYS HB3 . 34921 1 14 . 1 . 1 6 6 CYS C C 13 179.821 0.000 . 1 . . . . A 6 CYS C . 34921 1 15 . 1 . 1 6 6 CYS CA C 13 54.640 0.000 . 1 . . . . A 6 CYS CA . 34921 1 16 . 1 . 1 6 6 CYS CB C 13 45.773 0.000 . 1 . . . . A 6 CYS CB . 34921 1 17 . 1 . 1 6 6 CYS N N 15 123.176 0.000 . 1 . . . . A 6 CYS N . 34921 1 18 . 1 . 1 7 7 PRO HA H 1 4.451 0.000 . 1 . . . . A 7 PRO HA . 34921 1 19 . 1 . 1 7 7 PRO HB2 H 1 1.970 0.000 . 2 . . . . A 7 PRO HB2 . 34921 1 20 . 1 . 1 7 7 PRO HB3 H 1 2.307 0.000 . 2 . . . . A 7 PRO HB3 . 34921 1 21 . 1 . 1 7 7 PRO HG3 H 1 2.157 0.000 . 2 . . . . A 7 PRO HG3 . 34921 1 22 . 1 . 1 7 7 PRO CA C 13 63.200 0.000 . 1 . . . . A 7 PRO CA . 34921 1 23 . 1 . 1 7 7 PRO CB C 13 32.402 0.000 . 1 . . . . A 7 PRO CB . 34921 1 24 . 1 . 1 7 7 PRO CG C 13 27.561 0.000 . 1 . . . . A 7 PRO CG . 34921 1 25 . 1 . 1 7 7 PRO CD C 13 51.190 0.000 . 1 . . . . A 7 PRO CD . 34921 1 26 . 1 . 1 8 8 THR HA H 1 4.466 0.000 . 1 . . . . A 8 THR HA . 34921 1 27 . 1 . 1 8 8 THR CA C 13 61.550 0.000 . 1 . . . . A 8 THR CA . 34921 1 28 . 1 . 1 8 8 THR CB C 13 69.734 0.000 . 1 . . . . A 8 THR CB . 34921 1 29 . 1 . 1 8 8 THR N N 15 117.124 0.000 . 1 . . . . A 8 THR N . 34921 1 30 . 1 . 1 9 9 SER H H 1 8.534 0.000 . 1 . . . . A 9 SER H . 34921 1 31 . 1 . 1 9 9 SER HB2 H 1 3.569 0.000 . 2 . . . . A 9 SER HB2 . 34921 1 32 . 1 . 1 9 9 SER HB3 H 1 3.959 0.000 . 2 . . . . A 9 SER HB3 . 34921 1 33 . 1 . 1 9 9 SER C C 13 177.071 0.000 . 1 . . . . A 9 SER C . 34921 1 34 . 1 . 1 9 9 SER CB C 13 64.801 0.000 . 1 . . . . A 9 SER CB . 34921 1 35 . 1 . 1 9 9 SER N N 15 117.237 0.000 . 1 . . . . A 9 SER N . 34921 1 36 . 1 . 1 10 10 THR HA H 1 4.365 0.000 . 1 . . . . A 10 THR HA . 34921 1 37 . 1 . 1 10 10 THR HB H 1 4.455 0.000 . 1 . . . . A 10 THR HB . 34921 1 38 . 1 . 1 10 10 THR HG21 H 1 1.253 0.000 . 1 . . . . A 10 THR HG21 . 34921 1 39 . 1 . 1 10 10 THR HG22 H 1 1.253 0.000 . 1 . . . . A 10 THR HG22 . 34921 1 40 . 1 . 1 10 10 THR HG23 H 1 1.253 0.000 . 1 . . . . A 10 THR HG23 . 34921 1 41 . 1 . 1 10 10 THR CA C 13 62.786 0.000 . 1 . . . . A 10 THR CA . 34921 1 42 . 1 . 1 10 10 THR CB C 13 68.797 0.000 . 1 . . . . A 10 THR CB . 34921 1 43 . 1 . 1 10 10 THR CG2 C 13 21.684 0.000 . 1 . . . . A 10 THR CG2 . 34921 1 44 . 1 . 1 11 11 GLU H H 1 8.435 0.000 . 1 . . . . A 11 GLU H . 34921 1 45 . 1 . 1 11 11 GLU HA H 1 4.347 0.000 . 1 . . . . A 11 GLU HA . 34921 1 46 . 1 . 1 11 11 GLU HB2 H 1 1.784 0.000 . 2 . . . . A 11 GLU HB2 . 34921 1 47 . 1 . 1 11 11 GLU HB3 H 1 2.203 0.000 . 2 . . . . A 11 GLU HB3 . 34921 1 48 . 1 . 1 11 11 GLU HG2 H 1 2.198 0.000 . 2 . . . . A 11 GLU HG2 . 34921 1 49 . 1 . 1 11 11 GLU HG3 H 1 2.224 0.000 . 2 . . . . A 11 GLU HG3 . 34921 1 50 . 1 . 1 11 11 GLU C C 13 176.515 0.000 . 1 . . . . A 11 GLU C . 34921 1 51 . 1 . 1 11 11 GLU CA C 13 56.639 0.000 . 1 . . . . A 11 GLU CA . 34921 1 52 . 1 . 1 11 11 GLU CB C 13 30.006 0.000 . 1 . . . . A 11 GLU CB . 34921 1 53 . 1 . 1 11 11 GLU CG C 13 36.623 0.000 . 1 . . . . A 11 GLU CG . 34921 1 54 . 1 . 1 11 11 GLU N N 15 119.883 0.000 . 1 . . . . A 11 GLU N . 34921 1 55 . 1 . 1 12 12 ILE H H 1 6.882 0.000 . 1 . . . . A 12 ILE H . 34921 1 56 . 1 . 1 12 12 ILE HA H 1 4.469 0.000 . 1 . . . . A 12 ILE HA . 34921 1 57 . 1 . 1 12 12 ILE HB H 1 1.931 0.000 . 1 . . . . A 12 ILE HB . 34921 1 58 . 1 . 1 12 12 ILE HG12 H 1 1.089 0.000 . 2 . . . . A 12 ILE HG12 . 34921 1 59 . 1 . 1 12 12 ILE HG13 H 1 1.306 0.000 . 2 . . . . A 12 ILE HG13 . 34921 1 60 . 1 . 1 12 12 ILE HG21 H 1 0.741 0.000 . 1 . . . . A 12 ILE HG21 . 34921 1 61 . 1 . 1 12 12 ILE HG22 H 1 0.741 0.000 . 1 . . . . A 12 ILE HG22 . 34921 1 62 . 1 . 1 12 12 ILE HG23 H 1 0.741 0.000 . 1 . . . . A 12 ILE HG23 . 34921 1 63 . 1 . 1 12 12 ILE HD11 H 1 0.549 0.000 . 1 . . . . A 12 ILE HD11 . 34921 1 64 . 1 . 1 12 12 ILE HD12 H 1 0.549 0.000 . 1 . . . . A 12 ILE HD12 . 34921 1 65 . 1 . 1 12 12 ILE HD13 H 1 0.549 0.000 . 1 . . . . A 12 ILE HD13 . 34921 1 66 . 1 . 1 12 12 ILE C C 13 178.158 0.000 . 1 . . . . A 12 ILE C . 34921 1 67 . 1 . 1 12 12 ILE CA C 13 59.876 0.000 . 1 . . . . A 12 ILE CA . 34921 1 68 . 1 . 1 12 12 ILE CB C 13 39.167 0.000 . 1 . . . . A 12 ILE CB . 34921 1 69 . 1 . 1 12 12 ILE CG1 C 13 24.947 0.000 . 1 . . . . A 12 ILE CG1 . 34921 1 70 . 1 . 1 12 12 ILE CG2 C 13 16.791 0.000 . 1 . . . . A 12 ILE CG2 . 34921 1 71 . 1 . 1 12 12 ILE CD1 C 13 13.513 0.000 . 1 . . . . A 12 ILE CD1 . 34921 1 72 . 1 . 1 12 12 ILE N N 15 114.345 0.000 . 1 . . . . A 12 ILE N . 34921 1 73 . 1 . 1 13 13 ASP H H 1 8.375 0.000 . 1 . . . . A 13 ASP H . 34921 1 74 . 1 . 1 13 13 ASP HA H 1 4.790 0.000 . 1 . . . . A 13 ASP HA . 34921 1 75 . 1 . 1 13 13 ASP HB2 H 1 2.563 0.000 . 2 . . . . A 13 ASP HB2 . 34921 1 76 . 1 . 1 13 13 ASP HB3 H 1 2.814 0.000 . 2 . . . . A 13 ASP HB3 . 34921 1 77 . 1 . 1 13 13 ASP C C 13 175.531 0.000 . 1 . . . . A 13 ASP C . 34921 1 78 . 1 . 1 13 13 ASP CA C 13 53.309 0.000 . 1 . . . . A 13 ASP CA . 34921 1 79 . 1 . 1 13 13 ASP CB C 13 42.490 0.000 . 1 . . . . A 13 ASP CB . 34921 1 80 . 1 . 1 13 13 ASP N N 15 121.378 0.000 . 1 . . . . A 13 ASP N . 34921 1 81 . 1 . 1 14 14 SER H H 1 8.865 0.000 . 1 . . . . A 14 SER H . 34921 1 82 . 1 . 1 14 14 SER HA H 1 4.787 0.000 . 1 . . . . A 14 SER HA . 34921 1 83 . 1 . 1 14 14 SER HB2 H 1 3.764 0.000 . 2 . . . . A 14 SER HB2 . 34921 1 84 . 1 . 1 14 14 SER HB3 H 1 3.966 0.000 . 2 . . . . A 14 SER HB3 . 34921 1 85 . 1 . 1 14 14 SER C C 13 176.657 0.000 . 1 . . . . A 14 SER C . 34921 1 86 . 1 . 1 14 14 SER CA C 13 59.148 0.000 . 1 . . . . A 14 SER CA . 34921 1 87 . 1 . 1 14 14 SER CB C 13 63.749 0.000 . 1 . . . . A 14 SER CB . 34921 1 88 . 1 . 1 14 14 SER N N 15 115.656 0.000 . 1 . . . . A 14 SER N . 34921 1 89 . 1 . 1 15 15 CYS H H 1 9.418 0.000 . 1 . . . . A 15 CYS H . 34921 1 90 . 1 . 1 15 15 CYS HA H 1 4.618 0.000 . 1 . . . . A 15 CYS HA . 34921 1 91 . 1 . 1 15 15 CYS HB2 H 1 2.607 0.000 . 2 . . . . A 15 CYS HB2 . 34921 1 92 . 1 . 1 15 15 CYS HB3 H 1 3.286 0.000 . 2 . . . . A 15 CYS HB3 . 34921 1 93 . 1 . 1 15 15 CYS CA C 13 54.468 0.000 . 1 . . . . A 15 CYS CA . 34921 1 94 . 1 . 1 15 15 CYS CB C 13 40.262 0.000 . 1 . . . . A 15 CYS CB . 34921 1 95 . 1 . 1 15 15 CYS N N 15 125.542 0.000 . 1 . . . . A 15 CYS N . 34921 1 96 . 1 . 1 16 16 SER HA H 1 4.131 0.000 . 1 . . . . A 16 SER HA . 34921 1 97 . 1 . 1 16 16 SER HB2 H 1 3.978 0.000 . 2 . . . . A 16 SER HB2 . 34921 1 98 . 1 . 1 16 16 SER HB3 H 1 3.949 0.000 . 2 . . . . A 16 SER HB3 . 34921 1 99 . 1 . 1 16 16 SER C C 13 178.127 0.000 . 1 . . . . A 16 SER C . 34921 1 100 . 1 . 1 16 16 SER CA C 13 61.626 0.000 . 1 . . . . A 16 SER CA . 34921 1 101 . 1 . 1 16 16 SER CB C 13 63.226 0.000 . 1 . . . . A 16 SER CB . 34921 1 102 . 1 . 1 17 17 ASN H H 1 7.964 0.002 . 1 . . . . A 17 ASN H . 34921 1 103 . 1 . 1 17 17 ASN HA H 1 4.656 0.008 . 1 . . . . A 17 ASN HA . 34921 1 104 . 1 . 1 17 17 ASN HB2 H 1 3.051 0.002 . 2 . . . . A 17 ASN HB2 . 34921 1 105 . 1 . 1 17 17 ASN HB3 H 1 2.914 0.000 . 2 . . . . A 17 ASN HB3 . 34921 1 106 . 1 . 1 17 17 ASN HD21 H 1 6.778 0.001 . 2 . . . . A 17 ASN HD21 . 34921 1 107 . 1 . 1 17 17 ASN HD22 H 1 7.270 0.001 . 2 . . . . A 17 ASN HD22 . 34921 1 108 . 1 . 1 17 17 ASN C C 13 177.258 0.000 . 1 . . . . A 17 ASN C . 34921 1 109 . 1 . 1 17 17 ASN CA C 13 52.775 0.137 . 1 . . . . A 17 ASN CA . 34921 1 110 . 1 . 1 17 17 ASN CB C 13 40.104 0.000 . 1 . . . . A 17 ASN CB . 34921 1 111 . 1 . 1 17 17 ASN N N 15 113.560 0.023 . 1 . . . . A 17 ASN N . 34921 1 112 . 1 . 1 17 17 ASN ND2 N 15 114.610 0.017 . 1 . . . . A 17 ASN ND2 . 34921 1 113 . 1 . 1 18 18 ASP HA H 1 4.504 0.000 . 1 . . . . A 18 ASP HA . 34921 1 114 . 1 . 1 18 18 ASP HB2 H 1 2.662 0.000 . 2 . . . . A 18 ASP HB2 . 34921 1 115 . 1 . 1 18 18 ASP HB3 H 1 2.537 0.000 . 2 . . . . A 18 ASP HB3 . 34921 1 116 . 1 . 1 18 18 ASP C C 13 176.531 0.000 . 1 . . . . A 18 ASP C . 34921 1 117 . 1 . 1 18 18 ASP CA C 13 56.162 0.000 . 1 . . . . A 18 ASP CA . 34921 1 118 . 1 . 1 18 18 ASP CB C 13 40.305 0.000 . 1 . . . . A 18 ASP CB . 34921 1 119 . 1 . 1 19 19 ASN H H 1 8.833 0.000 . 1 . . . . A 19 ASN H . 34921 1 120 . 1 . 1 19 19 ASN HA H 1 5.017 0.000 . 1 . . . . A 19 ASN HA . 34921 1 121 . 1 . 1 19 19 ASN HB2 H 1 2.820 0.000 . 2 . . . . A 19 ASN HB2 . 34921 1 122 . 1 . 1 19 19 ASN HB3 H 1 3.353 0.000 . 2 . . . . A 19 ASN HB3 . 34921 1 123 . 1 . 1 19 19 ASN HD21 H 1 6.671 0.000 . 2 . . . . A 19 ASN HD21 . 34921 1 124 . 1 . 1 19 19 ASN HD22 H 1 7.641 0.000 . 2 . . . . A 19 ASN HD22 . 34921 1 125 . 1 . 1 19 19 ASN C C 13 177.366 0.000 . 1 . . . . A 19 ASN C . 34921 1 126 . 1 . 1 19 19 ASN CA C 13 52.636 0.000 . 1 . . . . A 19 ASN CA . 34921 1 127 . 1 . 1 19 19 ASN CB C 13 38.098 0.000 . 1 . . . . A 19 ASN CB . 34921 1 128 . 1 . 1 19 19 ASN N N 15 117.099 0.000 . 1 . . . . A 19 ASN N . 34921 1 129 . 1 . 1 19 19 ASN ND2 N 15 113.344 0.000 . 1 . . . . A 19 ASN ND2 . 34921 1 130 . 1 . 1 20 20 ASN H H 1 7.256 0.000 . 1 . . . . A 20 ASN H . 34921 1 131 . 1 . 1 20 20 ASN HA H 1 5.529 0.000 . 1 . . . . A 20 ASN HA . 34921 1 132 . 1 . 1 20 20 ASN HB2 H 1 2.677 0.000 . 2 . . . . A 20 ASN HB2 . 34921 1 133 . 1 . 1 20 20 ASN HB3 H 1 2.716 0.000 . 2 . . . . A 20 ASN HB3 . 34921 1 134 . 1 . 1 20 20 ASN HD21 H 1 6.783 0.000 . 2 . . . . A 20 ASN HD21 . 34921 1 135 . 1 . 1 20 20 ASN HD22 H 1 6.784 0.000 . 2 . . . . A 20 ASN HD22 . 34921 1 136 . 1 . 1 20 20 ASN C C 13 177.406 0.000 . 1 . . . . A 20 ASN C . 34921 1 137 . 1 . 1 20 20 ASN CA C 13 53.373 0.000 . 1 . . . . A 20 ASN CA . 34921 1 138 . 1 . 1 20 20 ASN CB C 13 41.895 0.000 . 1 . . . . A 20 ASN CB . 34921 1 139 . 1 . 1 20 20 ASN N N 15 116.700 0.000 . 1 . . . . A 20 ASN N . 34921 1 140 . 1 . 1 20 20 ASN ND2 N 15 106.810 0.000 . 1 . . . . A 20 ASN ND2 . 34921 1 141 . 1 . 1 21 21 ALA H H 1 8.403 0.000 . 1 . . . . A 21 ALA H . 34921 1 142 . 1 . 1 21 21 ALA HA H 1 5.122 0.000 . 1 . . . . A 21 ALA HA . 34921 1 143 . 1 . 1 21 21 ALA HB1 H 1 1.466 0.000 . 1 . . . . A 21 ALA HB1 . 34921 1 144 . 1 . 1 21 21 ALA HB2 H 1 1.466 0.000 . 1 . . . . A 21 ALA HB2 . 34921 1 145 . 1 . 1 21 21 ALA HB3 H 1 1.466 0.000 . 1 . . . . A 21 ALA HB3 . 34921 1 146 . 1 . 1 21 21 ALA C C 13 177.114 0.000 . 1 . . . . A 21 ALA C . 34921 1 147 . 1 . 1 21 21 ALA CA C 13 51.200 0.000 . 1 . . . . A 21 ALA CA . 34921 1 148 . 1 . 1 21 21 ALA CB C 13 20.031 0.000 . 1 . . . . A 21 ALA CB . 34921 1 149 . 1 . 1 21 21 ALA N N 15 118.957 0.000 . 1 . . . . A 21 ALA N . 34921 1 150 . 1 . 1 22 22 CYS H H 1 9.753 0.000 . 1 . . . . A 22 CYS H . 34921 1 151 . 1 . 1 22 22 CYS HA H 1 5.542 0.000 . 1 . . . . A 22 CYS HA . 34921 1 152 . 1 . 1 22 22 CYS HB2 H 1 3.214 0.000 . 2 . . . . A 22 CYS HB2 . 34921 1 153 . 1 . 1 22 22 CYS HB3 H 1 3.866 0.000 . 2 . . . . A 22 CYS HB3 . 34921 1 154 . 1 . 1 22 22 CYS CA C 13 55.019 0.000 . 1 . . . . A 22 CYS CA . 34921 1 155 . 1 . 1 22 22 CYS CB C 13 43.506 0.000 . 1 . . . . A 22 CYS CB . 34921 1 156 . 1 . 1 22 22 CYS N N 15 121.755 0.000 . 1 . . . . A 22 CYS N . 34921 1 157 . 1 . 1 23 23 GLY H H 1 8.736 0.000 . 1 . . . . A 23 GLY H . 34921 1 158 . 1 . 1 23 23 GLY HA2 H 1 3.957 0.000 . 2 . . . . A 23 GLY HA2 . 34921 1 159 . 1 . 1 23 23 GLY HA3 H 1 5.324 0.000 . 2 . . . . A 23 GLY HA3 . 34921 1 160 . 1 . 1 23 23 GLY C C 13 182.005 0.000 . 1 . . . . A 23 GLY C . 34921 1 161 . 1 . 1 23 23 GLY CA C 13 46.278 0.000 . 1 . . . . A 23 GLY CA . 34921 1 162 . 1 . 1 23 23 GLY N N 15 113.831 0.000 . 1 . . . . A 23 GLY N . 34921 1 163 . 1 . 1 24 24 LYS H H 1 8.946 0.000 . 1 . . . . A 24 LYS H . 34921 1 164 . 1 . 1 24 24 LYS HA H 1 4.469 0.000 . 1 . . . . A 24 LYS HA . 34921 1 165 . 1 . 1 24 24 LYS HB2 H 1 1.202 0.000 . 2 . . . . A 24 LYS HB2 . 34921 1 166 . 1 . 1 24 24 LYS HB3 H 1 1.465 0.000 . 2 . . . . A 24 LYS HB3 . 34921 1 167 . 1 . 1 24 24 LYS HG2 H 1 0.829 0.000 . 2 . . . . A 24 LYS HG2 . 34921 1 168 . 1 . 1 24 24 LYS HG3 H 1 1.186 0.000 . 2 . . . . A 24 LYS HG3 . 34921 1 169 . 1 . 1 24 24 LYS HD3 H 1 1.581 0.000 . 2 . . . . A 24 LYS HD3 . 34921 1 170 . 1 . 1 24 24 LYS HE2 H 1 2.836 0.000 . 2 . . . . A 24 LYS HE2 . 34921 1 171 . 1 . 1 24 24 LYS C C 13 178.613 0.000 . 1 . . . . A 24 LYS C . 34921 1 172 . 1 . 1 24 24 LYS CA C 13 54.514 0.000 . 1 . . . . A 24 LYS CA . 34921 1 173 . 1 . 1 24 24 LYS CB C 13 36.588 0.000 . 1 . . . . A 24 LYS CB . 34921 1 174 . 1 . 1 24 24 LYS CG C 13 23.857 0.000 . 1 . . . . A 24 LYS CG . 34921 1 175 . 1 . 1 24 24 LYS CD C 13 30.559 0.000 . 1 . . . . A 24 LYS CD . 34921 1 176 . 1 . 1 24 24 LYS N N 15 119.449 0.000 . 1 . . . . A 24 LYS N . 34921 1 177 . 1 . 1 25 25 ASP H H 1 7.704 0.000 . 1 . . . . A 25 ASP H . 34921 1 178 . 1 . 1 25 25 ASP HA H 1 4.735 0.000 . 1 . . . . A 25 ASP HA . 34921 1 179 . 1 . 1 25 25 ASP HB2 H 1 2.482 0.000 . 2 . . . . A 25 ASP HB2 . 34921 1 180 . 1 . 1 25 25 ASP HB3 H 1 2.666 0.000 . 2 . . . . A 25 ASP HB3 . 34921 1 181 . 1 . 1 25 25 ASP C C 13 176.574 0.000 . 1 . . . . A 25 ASP C . 34921 1 182 . 1 . 1 25 25 ASP CA C 13 54.654 0.000 . 1 . . . . A 25 ASP CA . 34921 1 183 . 1 . 1 25 25 ASP CB C 13 43.061 0.000 . 1 . . . . A 25 ASP CB . 34921 1 184 . 1 . 1 25 25 ASP N N 15 122.725 0.000 . 1 . . . . A 25 ASP N . 34921 1 185 . 1 . 1 26 26 VAL H H 1 9.192 0.000 . 1 . . . . A 26 VAL H . 34921 1 186 . 1 . 1 26 26 VAL HA H 1 4.156 0.000 . 1 . . . . A 26 VAL HA . 34921 1 187 . 1 . 1 26 26 VAL HB H 1 2.073 0.000 . 1 . . . . A 26 VAL HB . 34921 1 188 . 1 . 1 26 26 VAL HG11 H 1 0.897 0.000 . 2 . . . . A 26 VAL HG11 . 34921 1 189 . 1 . 1 26 26 VAL HG12 H 1 0.897 0.000 . 2 . . . . A 26 VAL HG12 . 34921 1 190 . 1 . 1 26 26 VAL HG13 H 1 0.897 0.000 . 2 . . . . A 26 VAL HG13 . 34921 1 191 . 1 . 1 26 26 VAL HG21 H 1 0.896 0.000 . 2 . . . . A 26 VAL HG21 . 34921 1 192 . 1 . 1 26 26 VAL HG22 H 1 0.896 0.000 . 2 . . . . A 26 VAL HG22 . 34921 1 193 . 1 . 1 26 26 VAL HG23 H 1 0.896 0.000 . 2 . . . . A 26 VAL HG23 . 34921 1 194 . 1 . 1 26 26 VAL C C 13 176.647 0.000 . 1 . . . . A 26 VAL C . 34921 1 195 . 1 . 1 26 26 VAL CA C 13 62.171 0.000 . 1 . . . . A 26 VAL CA . 34921 1 196 . 1 . 1 26 26 VAL CB C 13 32.592 0.000 . 1 . . . . A 26 VAL CB . 34921 1 197 . 1 . 1 26 26 VAL CG1 C 13 21.004 0.000 . 1 . . . . A 26 VAL CG1 . 34921 1 198 . 1 . 1 26 26 VAL CG2 C 13 21.155 0.000 . 1 . . . . A 26 VAL CG2 . 34921 1 199 . 1 . 1 26 26 VAL N N 15 129.385 0.000 . 1 . . . . A 26 VAL N . 34921 1 200 . 1 . 1 27 27 SER HA H 1 4.024 0.000 . 1 . . . . A 27 SER HA . 34921 1 201 . 1 . 1 27 27 SER HB2 H 1 3.822 0.000 . 2 . . . . A 27 SER HB2 . 34921 1 202 . 1 . 1 27 27 SER HB3 H 1 4.155 0.000 . 2 . . . . A 27 SER HB3 . 34921 1 203 . 1 . 1 27 27 SER C C 13 177.697 0.000 . 1 . . . . A 27 SER C . 34921 1 204 . 1 . 1 27 27 SER CA C 13 58.471 0.000 . 1 . . . . A 27 SER CA . 34921 1 205 . 1 . 1 27 27 SER CB C 13 62.190 0.000 . 1 . . . . A 27 SER CB . 34921 1 206 . 1 . 1 28 28 GLY H H 1 8.652 0.000 . 1 . . . . A 28 GLY H . 34921 1 207 . 1 . 1 28 28 GLY HA2 H 1 3.784 0.000 . 2 . . . . A 28 GLY HA2 . 34921 1 208 . 1 . 1 28 28 GLY HA3 H 1 4.357 0.000 . 2 . . . . A 28 GLY HA3 . 34921 1 209 . 1 . 1 28 28 GLY C C 13 177.825 0.000 . 1 . . . . A 28 GLY C . 34921 1 210 . 1 . 1 28 28 GLY CA C 13 45.651 0.000 . 1 . . . . A 28 GLY CA . 34921 1 211 . 1 . 1 28 28 GLY N N 15 107.759 0.000 . 1 . . . . A 28 GLY N . 34921 1 212 . 1 . 1 29 29 SER H H 1 7.654 0.000 . 1 . . . . A 29 SER H . 34921 1 213 . 1 . 1 29 29 SER HA H 1 4.759 0.000 . 1 . . . . A 29 SER HA . 34921 1 214 . 1 . 1 29 29 SER HB2 H 1 3.718 0.000 . 2 . . . . A 29 SER HB2 . 34921 1 215 . 1 . 1 29 29 SER HB3 H 1 3.820 0.000 . 2 . . . . A 29 SER HB3 . 34921 1 216 . 1 . 1 29 29 SER CA C 13 56.837 0.000 . 1 . . . . A 29 SER CA . 34921 1 217 . 1 . 1 29 29 SER CB C 13 65.379 0.000 . 1 . . . . A 29 SER CB . 34921 1 218 . 1 . 1 29 29 SER N N 15 115.698 0.000 . 1 . . . . A 29 SER N . 34921 1 219 . 1 . 1 30 30 CYS HA H 1 4.856 0.000 . 1 . . . . A 30 CYS HA . 34921 1 220 . 1 . 1 30 30 CYS HB2 H 1 2.873 0.000 . 2 . . . . A 30 CYS HB2 . 34921 1 221 . 1 . 1 30 30 CYS HB3 H 1 3.189 0.000 . 2 . . . . A 30 CYS HB3 . 34921 1 222 . 1 . 1 30 30 CYS C C 13 178.179 0.000 . 1 . . . . A 30 CYS C . 34921 1 223 . 1 . 1 30 30 CYS CA C 13 55.604 0.000 . 1 . . . . A 30 CYS CA . 34921 1 224 . 1 . 1 30 30 CYS CB C 13 43.476 0.000 . 1 . . . . A 30 CYS CB . 34921 1 225 . 1 . 1 31 31 SER H H 1 9.304 0.000 . 1 . . . . A 31 SER H . 34921 1 226 . 1 . 1 31 31 SER HB2 H 1 3.790 0.000 . 2 . . . . A 31 SER HB2 . 34921 1 227 . 1 . 1 31 31 SER HB3 H 1 3.642 0.000 . 2 . . . . A 31 SER HB3 . 34921 1 228 . 1 . 1 31 31 SER C C 13 178.136 0.000 . 1 . . . . A 31 SER C . 34921 1 229 . 1 . 1 31 31 SER CB C 13 64.832 0.000 . 1 . . . . A 31 SER CB . 34921 1 230 . 1 . 1 31 31 SER N N 15 124.098 0.000 . 1 . . . . A 31 SER N . 34921 1 231 . 1 . 1 32 32 SER H H 1 8.662 0.000 . 1 . . . . A 32 SER H . 34921 1 232 . 1 . 1 32 32 SER HA H 1 4.632 0.000 . 1 . . . . A 32 SER HA . 34921 1 233 . 1 . 1 32 32 SER HB2 H 1 3.817 0.000 . 2 . . . . A 32 SER HB2 . 34921 1 234 . 1 . 1 32 32 SER HB3 H 1 3.820 0.000 . 2 . . . . A 32 SER HB3 . 34921 1 235 . 1 . 1 32 32 SER C C 13 178.604 0.000 . 1 . . . . A 32 SER C . 34921 1 236 . 1 . 1 32 32 SER CA C 13 60.418 0.000 . 1 . . . . A 32 SER CA . 34921 1 237 . 1 . 1 32 32 SER CB C 13 63.760 0.000 . 1 . . . . A 32 SER CB . 34921 1 238 . 1 . 1 32 32 SER N N 15 124.192 0.000 . 1 . . . . A 32 SER N . 34921 1 239 . 1 . 1 33 33 LEU H H 1 9.093 0.000 . 1 . . . . A 33 LEU H . 34921 1 240 . 1 . 1 33 33 LEU HA H 1 4.484 0.000 . 1 . . . . A 33 LEU HA . 34921 1 241 . 1 . 1 33 33 LEU HB2 H 1 1.628 0.000 . 2 . . . . A 33 LEU HB2 . 34921 1 242 . 1 . 1 33 33 LEU HB3 H 1 1.649 0.000 . 2 . . . . A 33 LEU HB3 . 34921 1 243 . 1 . 1 33 33 LEU HG H 1 1.592 0.000 . 1 . . . . A 33 LEU HG . 34921 1 244 . 1 . 1 33 33 LEU HD11 H 1 0.896 0.000 . 2 . . . . A 33 LEU HD11 . 34921 1 245 . 1 . 1 33 33 LEU HD12 H 1 0.896 0.000 . 2 . . . . A 33 LEU HD12 . 34921 1 246 . 1 . 1 33 33 LEU HD13 H 1 0.896 0.000 . 2 . . . . A 33 LEU HD13 . 34921 1 247 . 1 . 1 33 33 LEU HD21 H 1 0.907 0.000 . 2 . . . . A 33 LEU HD21 . 34921 1 248 . 1 . 1 33 33 LEU HD22 H 1 0.907 0.000 . 2 . . . . A 33 LEU HD22 . 34921 1 249 . 1 . 1 33 33 LEU HD23 H 1 0.907 0.000 . 2 . . . . A 33 LEU HD23 . 34921 1 250 . 1 . 1 33 33 LEU C C 13 175.779 0.000 . 1 . . . . A 33 LEU C . 34921 1 251 . 1 . 1 33 33 LEU CA C 13 55.604 0.000 . 1 . . . . A 33 LEU CA . 34921 1 252 . 1 . 1 33 33 LEU CB C 13 43.520 0.000 . 1 . . . . A 33 LEU CB . 34921 1 253 . 1 . 1 33 33 LEU CG C 13 27.152 0.000 . 1 . . . . A 33 LEU CG . 34921 1 254 . 1 . 1 33 33 LEU CD1 C 13 22.230 0.000 . 1 . . . . A 33 LEU CD1 . 34921 1 255 . 1 . 1 33 33 LEU CD2 C 13 24.960 0.000 . 1 . . . . A 33 LEU CD2 . 34921 1 256 . 1 . 1 33 33 LEU N N 15 123.653 0.000 . 1 . . . . A 33 LEU N . 34921 1 257 . 1 . 1 34 34 CYS H H 1 7.843 0.000 . 1 . . . . A 34 CYS H . 34921 1 258 . 1 . 1 34 34 CYS HA H 1 4.797 0.000 . 1 . . . . A 34 CYS HA . 34921 1 259 . 1 . 1 34 34 CYS HB2 H 1 3.019 0.000 . 2 . . . . A 34 CYS HB2 . 34921 1 260 . 1 . 1 34 34 CYS HB3 H 1 3.314 0.000 . 2 . . . . A 34 CYS HB3 . 34921 1 261 . 1 . 1 34 34 CYS C C 13 180.894 0.000 . 1 . . . . A 34 CYS C . 34921 1 262 . 1 . 1 34 34 CYS CA C 13 54.922 0.000 . 1 . . . . A 34 CYS CA . 34921 1 263 . 1 . 1 34 34 CYS CB C 13 41.964 0.000 . 1 . . . . A 34 CYS CB . 34921 1 264 . 1 . 1 34 34 CYS N N 15 111.980 0.000 . 1 . . . . A 34 CYS N . 34921 1 265 . 1 . 1 35 35 ASN H H 1 8.819 0.000 . 1 . . . . A 35 ASN H . 34921 1 266 . 1 . 1 35 35 ASN HA H 1 5.196 0.000 . 1 . . . . A 35 ASN HA . 34921 1 267 . 1 . 1 35 35 ASN HB2 H 1 2.552 0.000 . 2 . . . . A 35 ASN HB2 . 34921 1 268 . 1 . 1 35 35 ASN HB3 H 1 2.814 0.000 . 2 . . . . A 35 ASN HB3 . 34921 1 269 . 1 . 1 35 35 ASN HD21 H 1 7.381 0.000 . 2 . . . . A 35 ASN HD21 . 34921 1 270 . 1 . 1 35 35 ASN HD22 H 1 7.056 0.000 . 2 . . . . A 35 ASN HD22 . 34921 1 271 . 1 . 1 35 35 ASN C C 13 176.885 0.000 . 1 . . . . A 35 ASN C . 34921 1 272 . 1 . 1 35 35 ASN CA C 13 52.232 0.000 . 1 . . . . A 35 ASN CA . 34921 1 273 . 1 . 1 35 35 ASN CB C 13 39.704 0.000 . 1 . . . . A 35 ASN CB . 34921 1 274 . 1 . 1 35 35 ASN N N 15 116.659 0.000 . 1 . . . . A 35 ASN N . 34921 1 275 . 1 . 1 35 35 ASN ND2 N 15 114.408 0.000 . 1 . . . . A 35 ASN ND2 . 34921 1 276 . 1 . 1 36 36 CYS H H 1 9.740 0.000 . 1 . . . . A 36 CYS H . 34921 1 277 . 1 . 1 36 36 CYS HA H 1 4.230 0.000 . 1 . . . . A 36 CYS HA . 34921 1 278 . 1 . 1 36 36 CYS HB2 H 1 2.865 0.000 . 2 . . . . A 36 CYS HB2 . 34921 1 279 . 1 . 1 36 36 CYS HB3 H 1 3.192 0.000 . 2 . . . . A 36 CYS HB3 . 34921 1 280 . 1 . 1 36 36 CYS C C 13 176.782 0.000 . 1 . . . . A 36 CYS C . 34921 1 281 . 1 . 1 36 36 CYS CA C 13 55.705 0.000 . 1 . . . . A 36 CYS CA . 34921 1 282 . 1 . 1 36 36 CYS CB C 13 38.710 0.000 . 1 . . . . A 36 CYS CB . 34921 1 283 . 1 . 1 36 36 CYS N N 15 127.822 0.000 . 1 . . . . A 36 CYS N . 34921 1 284 . 1 . 1 37 37 GLY H H 1 9.231 0.000 . 1 . . . . A 37 GLY H . 34921 1 285 . 1 . 1 37 37 GLY C C 13 177.676 0.000 . 1 . . . . A 37 GLY C . 34921 1 286 . 1 . 1 37 37 GLY CA C 13 45.782 0.000 . 1 . . . . A 37 GLY CA . 34921 1 287 . 1 . 1 37 37 GLY N N 15 110.054 0.000 . 1 . . . . A 37 GLY N . 34921 1 288 . 1 . 1 38 38 ASN HA H 1 4.456 0.000 . 1 . . . . A 38 ASN HA . 34921 1 289 . 1 . 1 38 38 ASN HB2 H 1 2.817 0.000 . 2 . . . . A 38 ASN HB2 . 34921 1 290 . 1 . 1 38 38 ASN HB3 H 1 3.029 0.000 . 2 . . . . A 38 ASN HB3 . 34921 1 291 . 1 . 1 38 38 ASN HD22 H 1 7.657 0.000 . 2 . . . . A 38 ASN HD22 . 34921 1 292 . 1 . 1 38 38 ASN C C 13 176.787 0.000 . 1 . . . . A 38 ASN C . 34921 1 293 . 1 . 1 38 38 ASN CA C 13 53.816 0.000 . 1 . . . . A 38 ASN CA . 34921 1 294 . 1 . 1 38 38 ASN CB C 13 37.667 0.000 . 1 . . . . A 38 ASN CB . 34921 1 295 . 1 . 1 39 39 GLY H H 1 8.471 0.000 . 1 . . . . A 39 GLY H . 34921 1 296 . 1 . 1 39 39 GLY C C 13 177.615 0.000 . 1 . . . . A 39 GLY C . 34921 1 297 . 1 . 1 39 39 GLY CA C 13 45.994 0.000 . 1 . . . . A 39 GLY CA . 34921 1 298 . 1 . 1 39 39 GLY N N 15 106.316 0.000 . 1 . . . . A 39 GLY N . 34921 1 299 . 1 . 1 40 40 GLN H H 1 7.417 0.000 . 1 . . . . A 40 GLN H . 34921 1 300 . 1 . 1 40 40 GLN HA H 1 4.231 0.000 . 1 . . . . A 40 GLN HA . 34921 1 301 . 1 . 1 40 40 GLN HB2 H 1 1.984 0.000 . 2 . . . . A 40 GLN HB2 . 34921 1 302 . 1 . 1 40 40 GLN HB3 H 1 2.082 0.000 . 2 . . . . A 40 GLN HB3 . 34921 1 303 . 1 . 1 40 40 GLN HG2 H 1 2.478 0.000 . 2 . . . . A 40 GLN HG2 . 34921 1 304 . 1 . 1 40 40 GLN HG3 H 1 2.478 0.000 . 2 . . . . A 40 GLN HG3 . 34921 1 305 . 1 . 1 40 40 GLN HE21 H 1 7.244 0.000 . 2 . . . . A 40 GLN HE21 . 34921 1 306 . 1 . 1 40 40 GLN HE22 H 1 7.540 0.000 . 2 . . . . A 40 GLN HE22 . 34921 1 307 . 1 . 1 40 40 GLN C C 13 176.920 0.000 . 1 . . . . A 40 GLN C . 34921 1 308 . 1 . 1 40 40 GLN CA C 13 56.021 0.000 . 1 . . . . A 40 GLN CA . 34921 1 309 . 1 . 1 40 40 GLN CB C 13 30.422 0.000 . 1 . . . . A 40 GLN CB . 34921 1 310 . 1 . 1 40 40 GLN CG C 13 34.248 0.000 . 1 . . . . A 40 GLN CG . 34921 1 311 . 1 . 1 40 40 GLN N N 15 119.901 0.000 . 1 . . . . A 40 GLN N . 34921 1 312 . 1 . 1 40 40 GLN NE2 N 15 112.448 0.000 . 1 . . . . A 40 GLN NE2 . 34921 1 313 . 1 . 1 41 41 THR H H 1 8.197 0.000 . 1 . . . . A 41 THR H . 34921 1 314 . 1 . 1 41 41 THR HA H 1 3.796 0.000 . 1 . . . . A 41 THR HA . 34921 1 315 . 1 . 1 41 41 THR HB H 1 3.251 0.000 . 1 . . . . A 41 THR HB . 34921 1 316 . 1 . 1 41 41 THR HG21 H 1 0.502 0.000 . 1 . . . . A 41 THR HG21 . 34921 1 317 . 1 . 1 41 41 THR HG22 H 1 0.502 0.000 . 1 . . . . A 41 THR HG22 . 34921 1 318 . 1 . 1 41 41 THR HG23 H 1 0.502 0.000 . 1 . . . . A 41 THR HG23 . 34921 1 319 . 1 . 1 41 41 THR C C 13 181.657 0.000 . 1 . . . . A 41 THR C . 34921 1 320 . 1 . 1 41 41 THR CA C 13 62.588 0.000 . 1 . . . . A 41 THR CA . 34921 1 321 . 1 . 1 41 41 THR CB C 13 70.333 0.000 . 1 . . . . A 41 THR CB . 34921 1 322 . 1 . 1 41 41 THR CG2 C 13 21.679 0.000 . 1 . . . . A 41 THR CG2 . 34921 1 323 . 1 . 1 41 41 THR N N 15 120.453 0.000 . 1 . . . . A 41 THR N . 34921 1 324 . 1 . 1 42 42 CYS H H 1 8.295 0.002 . 1 . . . . A 42 CYS H . 34921 1 325 . 1 . 1 42 42 CYS HA H 1 4.839 0.000 . 1 . . . . A 42 CYS HA . 34921 1 326 . 1 . 1 42 42 CYS HB2 H 1 3.030 0.000 . 2 . . . . A 42 CYS HB2 . 34921 1 327 . 1 . 1 42 42 CYS HB3 H 1 2.950 0.000 . 2 . . . . A 42 CYS HB3 . 34921 1 328 . 1 . 1 42 42 CYS C C 13 179.317 0.007 . 1 . . . . A 42 CYS C . 34921 1 329 . 1 . 1 42 42 CYS CA C 13 54.687 0.009 . 1 . . . . A 42 CYS CA . 34921 1 330 . 1 . 1 42 42 CYS CB C 13 40.239 0.000 . 1 . . . . A 42 CYS CB . 34921 1 331 . 1 . 1 42 42 CYS N N 15 124.817 0.042 . 1 . . . . A 42 CYS N . 34921 1 332 . 1 . 1 43 43 PHE H H 1 8.878 0.000 . 1 . . . . A 43 PHE H . 34921 1 333 . 1 . 1 43 43 PHE HA H 1 4.455 0.000 . 1 . . . . A 43 PHE HA . 34921 1 334 . 1 . 1 43 43 PHE HB2 H 1 2.296 0.000 . 2 . . . . A 43 PHE HB2 . 34921 1 335 . 1 . 1 43 43 PHE HB3 H 1 3.033 0.000 . 2 . . . . A 43 PHE HB3 . 34921 1 336 . 1 . 1 43 43 PHE HD1 H 1 6.992 0.000 . 1 . . . . A 43 PHE HD1 . 34921 1 337 . 1 . 1 43 43 PHE HD2 H 1 7.255 0.000 . 1 . . . . A 43 PHE HD2 . 34921 1 338 . 1 . 1 43 43 PHE HE1 H 1 6.992 0.000 . 1 . . . . A 43 PHE HE1 . 34921 1 339 . 1 . 1 43 43 PHE C C 13 178.136 0.000 . 1 . . . . A 43 PHE C . 34921 1 340 . 1 . 1 43 43 PHE CA C 13 58.290 0.000 . 1 . . . . A 43 PHE CA . 34921 1 341 . 1 . 1 43 43 PHE CB C 13 41.347 0.000 . 1 . . . . A 43 PHE CB . 34921 1 342 . 1 . 1 43 43 PHE CD1 C 13 131.599 0.000 . 1 . . . . A 43 PHE CD1 . 34921 1 343 . 1 . 1 43 43 PHE CE1 C 13 131.566 0.000 . 1 . . . . A 43 PHE CE1 . 34921 1 344 . 1 . 1 43 43 PHE CZ C 13 130.705 0.000 . 1 . . . . A 43 PHE CZ . 34921 1 345 . 1 . 1 43 43 PHE N N 15 128.828 0.000 . 1 . . . . A 43 PHE N . 34921 1 346 . 1 . 1 44 44 THR H H 1 7.434 0.003 . 1 . . . . A 44 THR H . 34921 1 347 . 1 . 1 44 44 THR HA H 1 4.138 0.002 . 1 . . . . A 44 THR HA . 34921 1 348 . 1 . 1 44 44 THR HB H 1 3.743 0.004 . 1 . . . . A 44 THR HB . 34921 1 349 . 1 . 1 44 44 THR HG21 H 1 0.108 0.003 . 1 . . . . A 44 THR HG21 . 34921 1 350 . 1 . 1 44 44 THR HG22 H 1 0.108 0.003 . 1 . . . . A 44 THR HG22 . 34921 1 351 . 1 . 1 44 44 THR HG23 H 1 0.108 0.003 . 1 . . . . A 44 THR HG23 . 34921 1 352 . 1 . 1 44 44 THR C C 13 177.526 0.000 . 1 . . . . A 44 THR C . 34921 1 353 . 1 . 1 44 44 THR CA C 13 58.664 0.039 . 1 . . . . A 44 THR CA . 34921 1 354 . 1 . 1 44 44 THR CB C 13 68.324 0.047 . 1 . . . . A 44 THR CB . 34921 1 355 . 1 . 1 44 44 THR CG2 C 13 22.003 0.029 . 1 . . . . A 44 THR CG2 . 34921 1 356 . 1 . 1 44 44 THR N N 15 103.084 0.052 . 1 . . . . A 44 THR N . 34921 1 357 . 1 . 1 45 45 ASP H H 1 7.207 0.000 . 1 . . . . A 45 ASP H . 34921 1 358 . 1 . 1 45 45 ASP HA H 1 4.655 0.000 . 1 . . . . A 45 ASP HA . 34921 1 359 . 1 . 1 45 45 ASP HB2 H 1 2.706 0.000 . 2 . . . . A 45 ASP HB2 . 34921 1 360 . 1 . 1 45 45 ASP HB3 H 1 3.108 0.000 . 2 . . . . A 45 ASP HB3 . 34921 1 361 . 1 . 1 45 45 ASP C C 13 174.031 0.000 . 1 . . . . A 45 ASP C . 34921 1 362 . 1 . 1 45 45 ASP CA C 13 52.804 0.000 . 1 . . . . A 45 ASP CA . 34921 1 363 . 1 . 1 45 45 ASP CB C 13 42.022 0.000 . 1 . . . . A 45 ASP CB . 34921 1 364 . 1 . 1 45 45 ASP N N 15 117.531 0.000 . 1 . . . . A 45 ASP N . 34921 1 365 . 1 . 1 47 47 ASN H H 1 8.136 0.003 . 1 . . . . A 47 ASN H . 34921 1 366 . 1 . 1 47 47 ASN C C 13 179.049 0.001 . 1 . . . . A 47 ASN C . 34921 1 367 . 1 . 1 47 47 ASN CA C 13 55.094 0.031 . 1 . . . . A 47 ASN CA . 34921 1 368 . 1 . 1 47 47 ASN CB C 13 37.713 0.001 . 1 . . . . A 47 ASN CB . 34921 1 369 . 1 . 1 47 47 ASN N N 15 118.502 0.039 . 1 . . . . A 47 ASN N . 34921 1 370 . 1 . 1 48 48 HIS H H 1 7.651 0.000 . 1 . . . . A 48 HIS H . 34921 1 371 . 1 . 1 48 48 HIS HB2 H 1 2.705 0.000 . 2 . . . . A 48 HIS HB2 . 34921 1 372 . 1 . 1 48 48 HIS HD2 H 1 7.143 0.000 . 1 . . . . A 48 HIS HD2 . 34921 1 373 . 1 . 1 48 48 HIS HE1 H 1 7.871 0.000 . 1 . . . . A 48 HIS HE1 . 34921 1 374 . 1 . 1 48 48 HIS C C 13 179.472 0.000 . 1 . . . . A 48 HIS C . 34921 1 375 . 1 . 1 48 48 HIS CB C 13 29.435 0.000 . 1 . . . . A 48 HIS CB . 34921 1 376 . 1 . 1 48 48 HIS CD2 C 13 120.466 0.000 . 1 . . . . A 48 HIS CD2 . 34921 1 377 . 1 . 1 48 48 HIS CE1 C 13 137.391 0.000 . 1 . . . . A 48 HIS CE1 . 34921 1 378 . 1 . 1 48 48 HIS N N 15 113.336 0.000 . 1 . . . . A 48 HIS N . 34921 1 379 . 1 . 1 49 49 THR H H 1 7.312 0.000 . 1 . . . . A 49 THR H . 34921 1 380 . 1 . 1 49 49 THR HA H 1 5.499 0.000 . 1 . . . . A 49 THR HA . 34921 1 381 . 1 . 1 49 49 THR HB H 1 4.104 0.000 . 1 . . . . A 49 THR HB . 34921 1 382 . 1 . 1 49 49 THR HG21 H 1 1.162 0.000 . 1 . . . . A 49 THR HG21 . 34921 1 383 . 1 . 1 49 49 THR HG22 H 1 1.162 0.000 . 1 . . . . A 49 THR HG22 . 34921 1 384 . 1 . 1 49 49 THR HG23 H 1 1.162 0.000 . 1 . . . . A 49 THR HG23 . 34921 1 385 . 1 . 1 49 49 THR C C 13 177.839 0.000 . 1 . . . . A 49 THR C . 34921 1 386 . 1 . 1 49 49 THR CA C 13 62.614 0.000 . 1 . . . . A 49 THR CA . 34921 1 387 . 1 . 1 49 49 THR CB C 13 70.838 0.000 . 1 . . . . A 49 THR CB . 34921 1 388 . 1 . 1 49 49 THR CG2 C 13 21.033 0.000 . 1 . . . . A 49 THR CG2 . 34921 1 389 . 1 . 1 49 49 THR N N 15 113.314 0.000 . 1 . . . . A 49 THR N . 34921 1 390 . 1 . 1 50 50 ILE H H 1 9.349 0.000 . 1 . . . . A 50 ILE H . 34921 1 391 . 1 . 1 50 50 ILE HA H 1 4.929 0.000 . 1 . . . . A 50 ILE HA . 34921 1 392 . 1 . 1 50 50 ILE HB H 1 1.922 0.000 . 1 . . . . A 50 ILE HB . 34921 1 393 . 1 . 1 50 50 ILE HG12 H 1 0.841 0.000 . 2 . . . . A 50 ILE HG12 . 34921 1 394 . 1 . 1 50 50 ILE HG13 H 1 1.295 0.000 . 2 . . . . A 50 ILE HG13 . 34921 1 395 . 1 . 1 50 50 ILE HG21 H 1 1.010 0.000 . 1 . . . . A 50 ILE HG21 . 34921 1 396 . 1 . 1 50 50 ILE HG22 H 1 1.010 0.000 . 1 . . . . A 50 ILE HG22 . 34921 1 397 . 1 . 1 50 50 ILE HG23 H 1 1.010 0.000 . 1 . . . . A 50 ILE HG23 . 34921 1 398 . 1 . 1 50 50 ILE HD11 H 1 0.329 0.000 . 1 . . . . A 50 ILE HD11 . 34921 1 399 . 1 . 1 50 50 ILE HD12 H 1 0.329 0.000 . 1 . . . . A 50 ILE HD12 . 34921 1 400 . 1 . 1 50 50 ILE HD13 H 1 0.329 0.000 . 1 . . . . A 50 ILE HD13 . 34921 1 401 . 1 . 1 50 50 ILE C C 13 178.753 0.000 . 1 . . . . A 50 ILE C . 34921 1 402 . 1 . 1 50 50 ILE CA C 13 59.848 0.000 . 1 . . . . A 50 ILE CA . 34921 1 403 . 1 . 1 50 50 ILE CB C 13 41.827 0.000 . 1 . . . . A 50 ILE CB . 34921 1 404 . 1 . 1 50 50 ILE CG1 C 13 26.060 0.000 . 1 . . . . A 50 ILE CG1 . 34921 1 405 . 1 . 1 50 50 ILE CG2 C 13 17.845 0.000 . 1 . . . . A 50 ILE CG2 . 34921 1 406 . 1 . 1 50 50 ILE CD1 C 13 13.572 0.000 . 1 . . . . A 50 ILE CD1 . 34921 1 407 . 1 . 1 50 50 ILE N N 15 121.321 0.000 . 1 . . . . A 50 ILE N . 34921 1 408 . 1 . 1 51 51 THR H H 1 8.640 0.000 . 1 . . . . A 51 THR H . 34921 1 409 . 1 . 1 51 51 THR HA H 1 5.001 0.000 . 1 . . . . A 51 THR HA . 34921 1 410 . 1 . 1 51 51 THR HB H 1 3.991 0.000 . 1 . . . . A 51 THR HB . 34921 1 411 . 1 . 1 51 51 THR HG21 H 1 1.053 0.000 . 1 . . . . A 51 THR HG21 . 34921 1 412 . 1 . 1 51 51 THR HG22 H 1 1.053 0.000 . 1 . . . . A 51 THR HG22 . 34921 1 413 . 1 . 1 51 51 THR HG23 H 1 1.053 0.000 . 1 . . . . A 51 THR HG23 . 34921 1 414 . 1 . 1 51 51 THR C C 13 179.511 0.000 . 1 . . . . A 51 THR C . 34921 1 415 . 1 . 1 51 51 THR CA C 13 62.128 0.000 . 1 . . . . A 51 THR CA . 34921 1 416 . 1 . 1 51 51 THR CB C 13 70.209 0.000 . 1 . . . . A 51 THR CB . 34921 1 417 . 1 . 1 51 51 THR CG2 C 13 21.697 0.000 . 1 . . . . A 51 THR CG2 . 34921 1 418 . 1 . 1 51 51 THR N N 15 117.567 0.000 . 1 . . . . A 51 THR N . 34921 1 419 . 1 . 1 52 52 LEU H H 1 9.445 0.000 . 1 . . . . A 52 LEU H . 34921 1 420 . 1 . 1 52 52 LEU HA H 1 4.715 0.000 . 1 . . . . A 52 LEU HA . 34921 1 421 . 1 . 1 52 52 LEU HB2 H 1 1.462 0.000 . 2 . . . . A 52 LEU HB2 . 34921 1 422 . 1 . 1 52 52 LEU HB3 H 1 1.705 0.000 . 2 . . . . A 52 LEU HB3 . 34921 1 423 . 1 . 1 52 52 LEU HG H 1 0.715 0.000 . 1 . . . . A 52 LEU HG . 34921 1 424 . 1 . 1 52 52 LEU HD11 H 1 0.331 0.000 . 2 . . . . A 52 LEU HD11 . 34921 1 425 . 1 . 1 52 52 LEU HD12 H 1 0.331 0.000 . 2 . . . . A 52 LEU HD12 . 34921 1 426 . 1 . 1 52 52 LEU HD13 H 1 0.331 0.000 . 2 . . . . A 52 LEU HD13 . 34921 1 427 . 1 . 1 52 52 LEU HD21 H 1 0.000 0.000 . 2 . . . . A 52 LEU HD21 . 34921 1 428 . 1 . 1 52 52 LEU HD22 H 1 0.000 0.000 . 2 . . . . A 52 LEU HD22 . 34921 1 429 . 1 . 1 52 52 LEU HD23 H 1 0.000 0.000 . 2 . . . . A 52 LEU HD23 . 34921 1 430 . 1 . 1 52 52 LEU C C 13 176.174 0.000 . 1 . . . . A 52 LEU C . 34921 1 431 . 1 . 1 52 52 LEU CA C 13 55.694 0.000 . 1 . . . . A 52 LEU CA . 34921 1 432 . 1 . 1 52 52 LEU CB C 13 44.080 0.000 . 1 . . . . A 52 LEU CB . 34921 1 433 . 1 . 1 52 52 LEU CG C 13 30.983 0.000 . 1 . . . . A 52 LEU CG . 34921 1 434 . 1 . 1 52 52 LEU CD1 C 13 22.805 0.000 . 1 . . . . A 52 LEU CD1 . 34921 1 435 . 1 . 1 52 52 LEU CD2 C 13 25.503 0.000 . 1 . . . . A 52 LEU CD2 . 34921 1 436 . 1 . 1 52 52 LEU N N 15 131.203 0.000 . 1 . . . . A 52 LEU N . 34921 1 437 . 1 . 1 53 53 VAL H H 1 8.967 0.000 . 1 . . . . A 53 VAL H . 34921 1 438 . 1 . 1 53 53 VAL HA H 1 5.538 0.000 . 1 . . . . A 53 VAL HA . 34921 1 439 . 1 . 1 53 53 VAL HB H 1 2.539 0.000 . 1 . . . . A 53 VAL HB . 34921 1 440 . 1 . 1 53 53 VAL HG11 H 1 0.806 0.000 . 2 . . . . A 53 VAL HG11 . 34921 1 441 . 1 . 1 53 53 VAL HG12 H 1 0.806 0.000 . 2 . . . . A 53 VAL HG12 . 34921 1 442 . 1 . 1 53 53 VAL HG13 H 1 0.806 0.000 . 2 . . . . A 53 VAL HG13 . 34921 1 443 . 1 . 1 53 53 VAL HG21 H 1 0.898 0.000 . 2 . . . . A 53 VAL HG21 . 34921 1 444 . 1 . 1 53 53 VAL HG22 H 1 0.898 0.000 . 2 . . . . A 53 VAL HG22 . 34921 1 445 . 1 . 1 53 53 VAL HG23 H 1 0.898 0.000 . 2 . . . . A 53 VAL HG23 . 34921 1 446 . 1 . 1 53 53 VAL C C 13 177.681 0.000 . 1 . . . . A 53 VAL C . 34921 1 447 . 1 . 1 53 53 VAL CA C 13 58.806 0.000 . 1 . . . . A 53 VAL CA . 34921 1 448 . 1 . 1 53 53 VAL CB C 13 32.613 0.000 . 1 . . . . A 53 VAL CB . 34921 1 449 . 1 . 1 53 53 VAL CG1 C 13 22.237 0.000 . 1 . . . . A 53 VAL CG1 . 34921 1 450 . 1 . 1 53 53 VAL N N 15 119.453 0.000 . 1 . . . . A 53 VAL N . 34921 1 451 . 1 . 1 54 54 PRO HA H 1 4.610 0.000 . 1 . . . . A 54 PRO HA . 34921 1 452 . 1 . 1 54 54 PRO HB2 H 1 1.873 0.000 . 2 . . . . A 54 PRO HB2 . 34921 1 453 . 1 . 1 54 54 PRO HB3 H 1 2.609 0.000 . 2 . . . . A 54 PRO HB3 . 34921 1 454 . 1 . 1 54 54 PRO HG2 H 1 1.576 0.000 . 2 . . . . A 54 PRO HG2 . 34921 1 455 . 1 . 1 54 54 PRO HG3 H 1 2.131 0.000 . 2 . . . . A 54 PRO HG3 . 34921 1 456 . 1 . 1 54 54 PRO HD2 H 1 3.616 0.000 . 2 . . . . A 54 PRO HD2 . 34921 1 457 . 1 . 1 54 54 PRO C C 13 175.032 0.000 . 1 . . . . A 54 PRO C . 34921 1 458 . 1 . 1 54 54 PRO CA C 13 63.734 0.000 . 1 . . . . A 54 PRO CA . 34921 1 459 . 1 . 1 54 54 PRO CB C 13 32.612 0.000 . 1 . . . . A 54 PRO CB . 34921 1 460 . 1 . 1 54 54 PRO CG C 13 27.157 0.000 . 1 . . . . A 54 PRO CG . 34921 1 461 . 1 . 1 54 54 PRO CD C 13 50.256 0.000 . 1 . . . . A 54 PRO CD . 34921 1 462 . 1 . 1 55 55 TYR H H 1 7.158 0.000 . 1 . . . . A 55 TYR H . 34921 1 463 . 1 . 1 55 55 TYR HA H 1 4.828 0.000 . 1 . . . . A 55 TYR HA . 34921 1 464 . 1 . 1 55 55 TYR HB2 H 1 3.205 0.000 . 2 . . . . A 55 TYR HB2 . 34921 1 465 . 1 . 1 55 55 TYR HB3 H 1 3.634 0.000 . 2 . . . . A 55 TYR HB3 . 34921 1 466 . 1 . 1 55 55 TYR HD1 H 1 6.760 0.000 . 1 . . . . A 55 TYR HD1 . 34921 1 467 . 1 . 1 55 55 TYR HD2 H 1 6.764 0.000 . 1 . . . . A 55 TYR HD2 . 34921 1 468 . 1 . 1 55 55 TYR HE1 H 1 6.301 0.000 . 1 . . . . A 55 TYR HE1 . 34921 1 469 . 1 . 1 55 55 TYR HE2 H 1 6.303 0.000 . 1 . . . . A 55 TYR HE2 . 34921 1 470 . 1 . 1 55 55 TYR C C 13 179.721 0.000 . 1 . . . . A 55 TYR C . 34921 1 471 . 1 . 1 55 55 TYR CA C 13 55.833 0.000 . 1 . . . . A 55 TYR CA . 34921 1 472 . 1 . 1 55 55 TYR CB C 13 38.088 0.000 . 1 . . . . A 55 TYR CB . 34921 1 473 . 1 . 1 55 55 TYR CD1 C 13 133.768 0.000 . 1 . . . . A 55 TYR CD1 . 34921 1 474 . 1 . 1 55 55 TYR CE1 C 13 117.596 0.000 . 1 . . . . A 55 TYR CE1 . 34921 1 475 . 1 . 1 55 55 TYR N N 15 109.549 0.000 . 1 . . . . A 55 TYR N . 34921 1 476 . 1 . 1 56 56 TYR H H 1 9.044 0.000 . 1 . . . . A 56 TYR H . 34921 1 477 . 1 . 1 56 56 TYR HA H 1 4.966 0.000 . 1 . . . . A 56 TYR HA . 34921 1 478 . 1 . 1 56 56 TYR HB2 H 1 3.031 0.000 . 2 . . . . A 56 TYR HB2 . 34921 1 479 . 1 . 1 56 56 TYR HB3 H 1 3.033 0.000 . 2 . . . . A 56 TYR HB3 . 34921 1 480 . 1 . 1 56 56 TYR HD1 H 1 7.085 0.000 . 1 . . . . A 56 TYR HD1 . 34921 1 481 . 1 . 1 56 56 TYR HD2 H 1 7.086 0.000 . 1 . . . . A 56 TYR HD2 . 34921 1 482 . 1 . 1 56 56 TYR HE1 H 1 6.745 0.000 . 1 . . . . A 56 TYR HE1 . 34921 1 483 . 1 . 1 56 56 TYR HE2 H 1 6.746 0.000 . 1 . . . . A 56 TYR HE2 . 34921 1 484 . 1 . 1 56 56 TYR C C 13 175.565 0.000 . 1 . . . . A 56 TYR C . 34921 1 485 . 1 . 1 56 56 TYR CA C 13 57.217 0.000 . 1 . . . . A 56 TYR CA . 34921 1 486 . 1 . 1 56 56 TYR CB C 13 40.702 0.000 . 1 . . . . A 56 TYR CB . 34921 1 487 . 1 . 1 56 56 TYR CD1 C 13 131.763 0.000 . 1 . . . . A 56 TYR CD1 . 34921 1 488 . 1 . 1 56 56 TYR CE1 C 13 118.409 0.000 . 1 . . . . A 56 TYR CE1 . 34921 1 489 . 1 . 1 56 56 TYR N N 15 119.063 0.000 . 1 . . . . A 56 TYR N . 34921 1 490 . 1 . 1 57 57 THR H H 1 8.720 0.000 . 1 . . . . A 57 THR H . 34921 1 491 . 1 . 1 57 57 THR HA H 1 4.962 0.000 . 1 . . . . A 57 THR HA . 34921 1 492 . 1 . 1 57 57 THR HB H 1 4.771 0.000 . 1 . . . . A 57 THR HB . 34921 1 493 . 1 . 1 57 57 THR HG21 H 1 1.431 0.000 . 1 . . . . A 57 THR HG21 . 34921 1 494 . 1 . 1 57 57 THR HG22 H 1 1.431 0.000 . 1 . . . . A 57 THR HG22 . 34921 1 495 . 1 . 1 57 57 THR HG23 H 1 1.431 0.000 . 1 . . . . A 57 THR HG23 . 34921 1 496 . 1 . 1 57 57 THR C C 13 175.571 0.000 . 1 . . . . A 57 THR C . 34921 1 497 . 1 . 1 57 57 THR CA C 13 60.414 0.000 . 1 . . . . A 57 THR CA . 34921 1 498 . 1 . 1 57 57 THR CB C 13 71.854 0.000 . 1 . . . . A 57 THR CB . 34921 1 499 . 1 . 1 57 57 THR CG2 C 13 21.690 0.000 . 1 . . . . A 57 THR CG2 . 34921 1 500 . 1 . 1 57 57 THR N N 15 111.968 0.000 . 1 . . . . A 57 THR N . 34921 1 501 . 1 . 1 58 58 GLU HA H 1 4.215 0.000 . 1 . . . . A 58 GLU HA . 34921 1 502 . 1 . 1 58 58 GLU HB2 H 1 2.115 0.000 . 2 . . . . A 58 GLU HB2 . 34921 1 503 . 1 . 1 58 58 GLU HB3 H 1 2.378 0.000 . 2 . . . . A 58 GLU HB3 . 34921 1 504 . 1 . 1 58 58 GLU HG2 H 1 2.100 0.000 . 2 . . . . A 58 GLU HG2 . 34921 1 505 . 1 . 1 58 58 GLU HG3 H 1 2.371 0.000 . 2 . . . . A 58 GLU HG3 . 34921 1 506 . 1 . 1 58 58 GLU CA C 13 59.343 0.000 . 1 . . . . A 58 GLU CA . 34921 1 507 . 1 . 1 58 58 GLU CB C 13 29.288 0.000 . 1 . . . . A 58 GLU CB . 34921 1 508 . 1 . 1 58 58 GLU CG C 13 36.420 0.000 . 1 . . . . A 58 GLU CG . 34921 1 509 . 1 . 1 59 59 ASP H H 1 8.089 0.000 . 1 . . . . A 59 ASP H . 34921 1 510 . 1 . 1 59 59 ASP HA H 1 4.816 0.000 . 1 . . . . A 59 ASP HA . 34921 1 511 . 1 . 1 59 59 ASP HB2 H 1 2.367 0.000 . 2 . . . . A 59 ASP HB2 . 34921 1 512 . 1 . 1 59 59 ASP HB3 H 1 2.840 0.000 . 2 . . . . A 59 ASP HB3 . 34921 1 513 . 1 . 1 59 59 ASP C C 13 176.890 0.000 . 1 . . . . A 59 ASP C . 34921 1 514 . 1 . 1 59 59 ASP CA C 13 54.595 0.000 . 1 . . . . A 59 ASP CA . 34921 1 515 . 1 . 1 59 59 ASP CB C 13 42.400 0.000 . 1 . . . . A 59 ASP CB . 34921 1 516 . 1 . 1 59 59 ASP N N 15 116.133 0.000 . 1 . . . . A 59 ASP N . 34921 1 517 . 1 . 1 60 60 GLY H H 1 7.677 0.000 . 1 . . . . A 60 GLY H . 34921 1 518 . 1 . 1 60 60 GLY C C 13 181.432 0.000 . 1 . . . . A 60 GLY C . 34921 1 519 . 1 . 1 60 60 GLY CA C 13 44.153 0.000 . 1 . . . . A 60 GLY CA . 34921 1 520 . 1 . 1 60 60 GLY N N 15 107.797 0.000 . 1 . . . . A 60 GLY N . 34921 1 521 . 1 . 1 61 61 PRO HA H 1 3.373 0.000 . 1 . . . . A 61 PRO HA . 34921 1 522 . 1 . 1 61 61 PRO HB2 H 1 1.583 0.000 . 2 . . . . A 61 PRO HB2 . 34921 1 523 . 1 . 1 61 61 PRO HB3 H 1 1.682 0.000 . 2 . . . . A 61 PRO HB3 . 34921 1 524 . 1 . 1 61 61 PRO HG3 H 1 2.006 0.000 . 2 . . . . A 61 PRO HG3 . 34921 1 525 . 1 . 1 61 61 PRO HD2 H 1 3.391 0.000 . 2 . . . . A 61 PRO HD2 . 34921 1 526 . 1 . 1 61 61 PRO HD3 H 1 3.739 0.000 . 2 . . . . A 61 PRO HD3 . 34921 1 527 . 1 . 1 61 61 PRO C C 13 176.741 0.000 . 1 . . . . A 61 PRO C . 34921 1 528 . 1 . 1 61 61 PRO CA C 13 63.216 0.000 . 1 . . . . A 61 PRO CA . 34921 1 529 . 1 . 1 61 61 PRO CB C 13 32.574 0.000 . 1 . . . . A 61 PRO CB . 34921 1 530 . 1 . 1 61 61 PRO CG C 13 27.087 0.000 . 1 . . . . A 61 PRO CG . 34921 1 531 . 1 . 1 61 61 PRO CD C 13 49.601 0.000 . 1 . . . . A 61 PRO CD . 34921 1 532 . 1 . 1 62 62 PHE H H 1 8.221 0.000 . 1 . . . . A 62 PHE H . 34921 1 533 . 1 . 1 62 62 PHE HB2 H 1 2.566 0.000 . 2 . . . . A 62 PHE HB2 . 34921 1 534 . 1 . 1 62 62 PHE HB3 H 1 2.706 0.000 . 2 . . . . A 62 PHE HB3 . 34921 1 535 . 1 . 1 62 62 PHE HD1 H 1 6.913 0.000 . 1 . . . . A 62 PHE HD1 . 34921 1 536 . 1 . 1 62 62 PHE HE1 H 1 6.912 0.000 . 1 . . . . A 62 PHE HE1 . 34921 1 537 . 1 . 1 62 62 PHE HZ H 1 7.308 0.000 . 1 . . . . A 62 PHE HZ . 34921 1 538 . 1 . 1 62 62 PHE C C 13 179.787 0.000 . 1 . . . . A 62 PHE C . 34921 1 539 . 1 . 1 62 62 PHE CB C 13 39.216 0.000 . 1 . . . . A 62 PHE CB . 34921 1 540 . 1 . 1 62 62 PHE CZ C 13 133.369 0.000 . 1 . . . . A 62 PHE CZ . 34921 1 541 . 1 . 1 62 62 PHE N N 15 126.998 0.000 . 1 . . . . A 62 PHE N . 34921 1 542 . 1 . 1 63 63 GLU H H 1 7.499 0.000 . 1 . . . . A 63 GLU H . 34921 1 543 . 1 . 1 63 63 GLU HA H 1 4.501 0.000 . 1 . . . . A 63 GLU HA . 34921 1 544 . 1 . 1 63 63 GLU HB2 H 1 1.585 0.000 . 2 . . . . A 63 GLU HB2 . 34921 1 545 . 1 . 1 63 63 GLU HG2 H 1 1.807 0.000 . 2 . . . . A 63 GLU HG2 . 34921 1 546 . 1 . 1 63 63 GLU HG3 H 1 2.084 0.000 . 2 . . . . A 63 GLU HG3 . 34921 1 547 . 1 . 1 63 63 GLU C C 13 175.751 0.000 . 1 . . . . A 63 GLU C . 34921 1 548 . 1 . 1 63 63 GLU CA C 13 55.647 0.000 . 1 . . . . A 63 GLU CA . 34921 1 549 . 1 . 1 63 63 GLU CB C 13 32.128 0.000 . 1 . . . . A 63 GLU CB . 34921 1 550 . 1 . 1 63 63 GLU CG C 13 36.985 0.000 . 1 . . . . A 63 GLU CG . 34921 1 551 . 1 . 1 63 63 GLU N N 15 122.704 0.000 . 1 . . . . A 63 GLU N . 34921 1 552 . 1 . 1 64 64 LYS H H 1 9.347 0.000 . 1 . . . . A 64 LYS H . 34921 1 553 . 1 . 1 64 64 LYS HA H 1 4.540 0.000 . 1 . . . . A 64 LYS HA . 34921 1 554 . 1 . 1 64 64 LYS HB2 H 1 1.932 0.000 . 2 . . . . A 64 LYS HB2 . 34921 1 555 . 1 . 1 64 64 LYS HB3 H 1 1.965 0.000 . 2 . . . . A 64 LYS HB3 . 34921 1 556 . 1 . 1 64 64 LYS HG2 H 1 1.307 0.000 . 2 . . . . A 64 LYS HG2 . 34921 1 557 . 1 . 1 64 64 LYS HG3 H 1 1.457 0.000 . 2 . . . . A 64 LYS HG3 . 34921 1 558 . 1 . 1 64 64 LYS HD2 H 1 1.795 0.000 . 2 . . . . A 64 LYS HD2 . 34921 1 559 . 1 . 1 64 64 LYS HD3 H 1 1.913 0.000 . 2 . . . . A 64 LYS HD3 . 34921 1 560 . 1 . 1 64 64 LYS HE2 H 1 3.250 0.000 . 2 . . . . A 64 LYS HE2 . 34921 1 561 . 1 . 1 64 64 LYS HE3 H 1 3.439 0.000 . 2 . . . . A 64 LYS HE3 . 34921 1 562 . 1 . 1 64 64 LYS C C 13 176.971 0.000 . 1 . . . . A 64 LYS C . 34921 1 563 . 1 . 1 64 64 LYS CA C 13 54.668 0.000 . 1 . . . . A 64 LYS CA . 34921 1 564 . 1 . 1 64 64 LYS CB C 13 34.780 0.000 . 1 . . . . A 64 LYS CB . 34921 1 565 . 1 . 1 64 64 LYS CG C 13 23.868 0.000 . 1 . . . . A 64 LYS CG . 34921 1 566 . 1 . 1 64 64 LYS CD C 13 28.733 0.000 . 1 . . . . A 64 LYS CD . 34921 1 567 . 1 . 1 64 64 LYS CE C 13 41.917 0.000 . 1 . . . . A 64 LYS CE . 34921 1 568 . 1 . 1 64 64 LYS N N 15 123.714 0.000 . 1 . . . . A 64 LYS N . 34921 1 569 . 1 . 1 65 65 LYS H H 1 8.677 0.000 . 1 . . . . A 65 LYS H . 34921 1 570 . 1 . 1 65 65 LYS HA H 1 5.083 0.000 . 1 . . . . A 65 LYS HA . 34921 1 571 . 1 . 1 65 65 LYS HB2 H 1 1.255 0.000 . 2 . . . . A 65 LYS HB2 . 34921 1 572 . 1 . 1 65 65 LYS HB3 H 1 1.604 0.000 . 2 . . . . A 65 LYS HB3 . 34921 1 573 . 1 . 1 65 65 LYS HG2 H 1 1.284 0.000 . 2 . . . . A 65 LYS HG2 . 34921 1 574 . 1 . 1 65 65 LYS HG3 H 1 1.429 0.000 . 2 . . . . A 65 LYS HG3 . 34921 1 575 . 1 . 1 65 65 LYS HD2 H 1 1.260 0.000 . 2 . . . . A 65 LYS HD2 . 34921 1 576 . 1 . 1 65 65 LYS HD3 H 1 1.606 0.000 . 2 . . . . A 65 LYS HD3 . 34921 1 577 . 1 . 1 65 65 LYS HE2 H 1 2.881 0.000 . 2 . . . . A 65 LYS HE2 . 34921 1 578 . 1 . 1 65 65 LYS C C 13 176.392 0.000 . 1 . . . . A 65 LYS C . 34921 1 579 . 1 . 1 65 65 LYS CA C 13 56.662 0.000 . 1 . . . . A 65 LYS CA . 34921 1 580 . 1 . 1 65 65 LYS CB C 13 33.708 0.000 . 1 . . . . A 65 LYS CB . 34921 1 581 . 1 . 1 65 65 LYS CG C 13 25.493 0.000 . 1 . . . . A 65 LYS CG . 34921 1 582 . 1 . 1 65 65 LYS CD C 13 33.710 0.000 . 1 . . . . A 65 LYS CD . 34921 1 583 . 1 . 1 65 65 LYS CE C 13 42.097 0.000 . 1 . . . . A 65 LYS CE . 34921 1 584 . 1 . 1 65 65 LYS N N 15 123.696 0.000 . 1 . . . . A 65 LYS N . 34921 1 585 . 1 . 1 66 66 TYR H H 1 9.053 0.000 . 1 . . . . A 66 TYR H . 34921 1 586 . 1 . 1 66 66 TYR HA H 1 4.341 0.000 . 1 . . . . A 66 TYR HA . 34921 1 587 . 1 . 1 66 66 TYR HB2 H 1 2.519 0.000 . 2 . . . . A 66 TYR HB2 . 34921 1 588 . 1 . 1 66 66 TYR HB3 H 1 2.705 0.000 . 2 . . . . A 66 TYR HB3 . 34921 1 589 . 1 . 1 66 66 TYR HD1 H 1 6.924 0.000 . 1 . . . . A 66 TYR HD1 . 34921 1 590 . 1 . 1 66 66 TYR HD2 H 1 6.928 0.000 . 1 . . . . A 66 TYR HD2 . 34921 1 591 . 1 . 1 66 66 TYR HE1 H 1 6.531 0.000 . 1 . . . . A 66 TYR HE1 . 34921 1 592 . 1 . 1 66 66 TYR HE2 H 1 6.533 0.000 . 1 . . . . A 66 TYR HE2 . 34921 1 593 . 1 . 1 66 66 TYR C C 13 180.399 0.000 . 1 . . . . A 66 TYR C . 34921 1 594 . 1 . 1 66 66 TYR CA C 13 57.106 0.000 . 1 . . . . A 66 TYR CA . 34921 1 595 . 1 . 1 66 66 TYR CB C 13 42.457 0.000 . 1 . . . . A 66 TYR CB . 34921 1 596 . 1 . 1 66 66 TYR CD1 C 13 132.717 0.000 . 1 . . . . A 66 TYR CD1 . 34921 1 597 . 1 . 1 66 66 TYR CE1 C 13 118.155 0.000 . 1 . . . . A 66 TYR CE1 . 34921 1 598 . 1 . 1 66 66 TYR N N 15 123.645 0.000 . 1 . . . . A 66 TYR N . 34921 1 599 . 1 . 1 67 67 TYR H H 1 8.405 0.000 . 1 . . . . A 67 TYR H . 34921 1 600 . 1 . 1 67 67 TYR HA H 1 6.374 0.000 . 1 . . . . A 67 TYR HA . 34921 1 601 . 1 . 1 67 67 TYR HB2 H 1 2.172 0.000 . 2 . . . . A 67 TYR HB2 . 34921 1 602 . 1 . 1 67 67 TYR HB3 H 1 3.776 0.000 . 2 . . . . A 67 TYR HB3 . 34921 1 603 . 1 . 1 67 67 TYR C C 13 175.256 0.000 . 1 . . . . A 67 TYR C . 34921 1 604 . 1 . 1 67 67 TYR CA C 13 55.066 0.000 . 1 . . . . A 67 TYR CA . 34921 1 605 . 1 . 1 67 67 TYR CB C 13 41.335 0.000 . 1 . . . . A 67 TYR CB . 34921 1 606 . 1 . 1 67 67 TYR CE1 C 13 118.173 0.000 . 1 . . . . A 67 TYR CE1 . 34921 1 607 . 1 . 1 67 67 TYR N N 15 120.902 0.000 . 1 . . . . A 67 TYR N . 34921 1 608 . 1 . 1 68 68 THR H H 1 9.480 0.000 . 1 . . . . A 68 THR H . 34921 1 609 . 1 . 1 68 68 THR HA H 1 5.290 0.000 . 1 . . . . A 68 THR HA . 34921 1 610 . 1 . 1 68 68 THR HB H 1 4.414 0.000 . 1 . . . . A 68 THR HB . 34921 1 611 . 1 . 1 68 68 THR HG21 H 1 0.915 0.000 . 1 . . . . A 68 THR HG21 . 34921 1 612 . 1 . 1 68 68 THR HG22 H 1 0.915 0.000 . 1 . . . . A 68 THR HG22 . 34921 1 613 . 1 . 1 68 68 THR HG23 H 1 0.915 0.000 . 1 . . . . A 68 THR HG23 . 34921 1 614 . 1 . 1 68 68 THR C C 13 176.480 0.000 . 1 . . . . A 68 THR C . 34921 1 615 . 1 . 1 68 68 THR CA C 13 60.488 0.000 . 1 . . . . A 68 THR CA . 34921 1 616 . 1 . 1 68 68 THR CB C 13 70.723 0.000 . 1 . . . . A 68 THR CB . 34921 1 617 . 1 . 1 68 68 THR CG2 C 13 21.690 0.000 . 1 . . . . A 68 THR CG2 . 34921 1 618 . 1 . 1 68 68 THR N N 15 112.591 0.000 . 1 . . . . A 68 THR N . 34921 1 619 . 1 . 1 69 69 CYS H H 1 7.577 0.000 . 1 . . . . A 69 CYS H . 34921 1 620 . 1 . 1 69 69 CYS HA H 1 4.536 0.000 . 1 . . . . A 69 CYS HA . 34921 1 621 . 1 . 1 69 69 CYS HB2 H 1 3.161 0.000 . 2 . . . . A 69 CYS HB2 . 34921 1 622 . 1 . 1 69 69 CYS HB3 H 1 3.324 0.000 . 2 . . . . A 69 CYS HB3 . 34921 1 623 . 1 . 1 69 69 CYS C C 13 176.382 0.000 . 1 . . . . A 69 CYS C . 34921 1 624 . 1 . 1 69 69 CYS CA C 13 58.822 0.000 . 1 . . . . A 69 CYS CA . 34921 1 625 . 1 . 1 69 69 CYS CB C 13 39.719 0.000 . 1 . . . . A 69 CYS CB . 34921 1 626 . 1 . 1 69 69 CYS N N 15 117.562 0.000 . 1 . . . . A 69 CYS N . 34921 1 627 . 1 . 1 70 70 GLY H H 1 8.533 0.000 . 1 . . . . A 70 GLY H . 34921 1 628 . 1 . 1 70 70 GLY HA2 H 1 3.637 0.000 . 2 . . . . A 70 GLY HA2 . 34921 1 629 . 1 . 1 70 70 GLY HA3 H 1 4.654 0.000 . 2 . . . . A 70 GLY HA3 . 34921 1 630 . 1 . 1 70 70 GLY C C 13 179.782 0.000 . 1 . . . . A 70 GLY C . 34921 1 631 . 1 . 1 70 70 GLY CA C 13 43.159 0.000 . 1 . . . . A 70 GLY CA . 34921 1 632 . 1 . 1 70 70 GLY N N 15 106.136 0.000 . 1 . . . . A 70 GLY N . 34921 1 633 . 1 . 1 71 71 ASP H H 1 8.413 0.000 . 1 . . . . A 71 ASP H . 34921 1 634 . 1 . 1 71 71 ASP HA H 1 4.848 0.000 . 1 . . . . A 71 ASP HA . 34921 1 635 . 1 . 1 71 71 ASP HB2 H 1 2.130 0.000 . 2 . . . . A 71 ASP HB2 . 34921 1 636 . 1 . 1 71 71 ASP HB3 H 1 2.852 0.000 . 2 . . . . A 71 ASP HB3 . 34921 1 637 . 1 . 1 71 71 ASP C C 13 176.170 0.000 . 1 . . . . A 71 ASP C . 34921 1 638 . 1 . 1 71 71 ASP CA C 13 50.199 0.000 . 1 . . . . A 71 ASP CA . 34921 1 639 . 1 . 1 71 71 ASP CB C 13 41.427 0.000 . 1 . . . . A 71 ASP CB . 34921 1 640 . 1 . 1 71 71 ASP N N 15 122.290 0.000 . 1 . . . . A 71 ASP N . 34921 1 641 . 1 . 1 72 72 PRO HA H 1 4.287 0.000 . 1 . . . . A 72 PRO HA . 34921 1 642 . 1 . 1 72 72 PRO HB2 H 1 2.235 0.000 . 2 . . . . A 72 PRO HB2 . 34921 1 643 . 1 . 1 72 72 PRO HB3 H 1 2.321 0.000 . 2 . . . . A 72 PRO HB3 . 34921 1 644 . 1 . 1 72 72 PRO HG2 H 1 1.916 0.000 . 2 . . . . A 72 PRO HG2 . 34921 1 645 . 1 . 1 72 72 PRO HG3 H 1 1.981 0.000 . 2 . . . . A 72 PRO HG3 . 34921 1 646 . 1 . 1 72 72 PRO HD2 H 1 4.065 0.000 . 2 . . . . A 72 PRO HD2 . 34921 1 647 . 1 . 1 72 72 PRO HD3 H 1 4.181 0.000 . 2 . . . . A 72 PRO HD3 . 34921 1 648 . 1 . 1 72 72 PRO C C 13 175.565 0.000 . 1 . . . . A 72 PRO C . 34921 1 649 . 1 . 1 72 72 PRO CA C 13 64.336 0.000 . 1 . . . . A 72 PRO CA . 34921 1 650 . 1 . 1 72 72 PRO CB C 13 32.559 0.000 . 1 . . . . A 72 PRO CB . 34921 1 651 . 1 . 1 72 72 PRO CG C 13 27.173 0.000 . 1 . . . . A 72 PRO CG . 34921 1 652 . 1 . 1 72 72 PRO CD C 13 50.652 0.000 . 1 . . . . A 72 PRO CD . 34921 1 653 . 1 . 1 73 73 SER H H 1 8.534 0.000 . 1 . . . . A 73 SER H . 34921 1 654 . 1 . 1 73 73 SER HA H 1 2.775 0.000 . 1 . . . . A 73 SER HA . 34921 1 655 . 1 . 1 73 73 SER HB2 H 1 3.431 0.000 . 2 . . . . A 73 SER HB2 . 34921 1 656 . 1 . 1 73 73 SER HB3 H 1 3.532 0.000 . 2 . . . . A 73 SER HB3 . 34921 1 657 . 1 . 1 73 73 SER C C 13 177.456 0.000 . 1 . . . . A 73 SER C . 34921 1 658 . 1 . 1 73 73 SER CA C 13 59.999 0.000 . 1 . . . . A 73 SER CA . 34921 1 659 . 1 . 1 73 73 SER CB C 13 62.605 0.000 . 1 . . . . A 73 SER CB . 34921 1 660 . 1 . 1 73 73 SER N N 15 113.840 0.000 . 1 . . . . A 73 SER N . 34921 1 661 . 1 . 1 74 74 GLU H H 1 7.446 0.000 . 1 . . . . A 74 GLU H . 34921 1 662 . 1 . 1 74 74 GLU HA H 1 4.128 0.000 . 1 . . . . A 74 GLU HA . 34921 1 663 . 1 . 1 74 74 GLU HB2 H 1 1.834 0.000 . 2 . . . . A 74 GLU HB2 . 34921 1 664 . 1 . 1 74 74 GLU HB3 H 1 2.174 0.000 . 2 . . . . A 74 GLU HB3 . 34921 1 665 . 1 . 1 74 74 GLU HG2 H 1 2.163 0.000 . 2 . . . . A 74 GLU HG2 . 34921 1 666 . 1 . 1 74 74 GLU HG3 H 1 2.284 0.000 . 2 . . . . A 74 GLU HG3 . 34921 1 667 . 1 . 1 74 74 GLU C C 13 174.871 0.000 . 1 . . . . A 74 GLU C . 34921 1 668 . 1 . 1 74 74 GLU CA C 13 57.090 0.000 . 1 . . . . A 74 GLU CA . 34921 1 669 . 1 . 1 74 74 GLU CB C 13 29.847 0.000 . 1 . . . . A 74 GLU CB . 34921 1 670 . 1 . 1 74 74 GLU CG C 13 36.974 0.000 . 1 . . . . A 74 GLU CG . 34921 1 671 . 1 . 1 74 74 GLU N N 15 119.435 0.000 . 1 . . . . A 74 GLU N . 34921 1 672 . 1 . 1 75 75 LEU H H 1 7.442 0.000 . 1 . . . . A 75 LEU H . 34921 1 673 . 1 . 1 75 75 LEU HA H 1 4.341 0.000 . 1 . . . . A 75 LEU HA . 34921 1 674 . 1 . 1 75 75 LEU HB2 H 1 1.468 0.000 . 2 . . . . A 75 LEU HB2 . 34921 1 675 . 1 . 1 75 75 LEU HB3 H 1 1.930 0.000 . 2 . . . . A 75 LEU HB3 . 34921 1 676 . 1 . 1 75 75 LEU HG H 1 1.537 0.000 . 1 . . . . A 75 LEU HG . 34921 1 677 . 1 . 1 75 75 LEU HD11 H 1 0.612 0.000 . 2 . . . . A 75 LEU HD11 . 34921 1 678 . 1 . 1 75 75 LEU HD12 H 1 0.612 0.000 . 2 . . . . A 75 LEU HD12 . 34921 1 679 . 1 . 1 75 75 LEU HD13 H 1 0.612 0.000 . 2 . . . . A 75 LEU HD13 . 34921 1 680 . 1 . 1 75 75 LEU HD21 H 1 0.776 0.000 . 2 . . . . A 75 LEU HD21 . 34921 1 681 . 1 . 1 75 75 LEU HD22 H 1 0.776 0.000 . 2 . . . . A 75 LEU HD22 . 34921 1 682 . 1 . 1 75 75 LEU HD23 H 1 0.776 0.000 . 2 . . . . A 75 LEU HD23 . 34921 1 683 . 1 . 1 75 75 LEU C C 13 176.255 0.000 . 1 . . . . A 75 LEU C . 34921 1 684 . 1 . 1 75 75 LEU CA C 13 53.935 0.000 . 1 . . . . A 75 LEU CA . 34921 1 685 . 1 . 1 75 75 LEU CB C 13 43.363 0.000 . 1 . . . . A 75 LEU CB . 34921 1 686 . 1 . 1 75 75 LEU CG C 13 27.147 0.000 . 1 . . . . A 75 LEU CG . 34921 1 687 . 1 . 1 75 75 LEU CD1 C 13 25.606 0.000 . 1 . . . . A 75 LEU CD1 . 34921 1 688 . 1 . 1 75 75 LEU CD2 C 13 22.231 0.000 . 1 . . . . A 75 LEU CD2 . 34921 1 689 . 1 . 1 75 75 LEU N N 15 120.423 0.000 . 1 . . . . A 75 LEU N . 34921 1 690 . 1 . 1 76 76 ASP H H 1 8.172 0.000 . 1 . . . . A 76 ASP H . 34921 1 691 . 1 . 1 76 76 ASP HA H 1 4.500 0.000 . 1 . . . . A 76 ASP HA . 34921 1 692 . 1 . 1 76 76 ASP HB2 H 1 2.604 0.000 . 2 . . . . A 76 ASP HB2 . 34921 1 693 . 1 . 1 76 76 ASP HB3 H 1 2.682 0.000 . 2 . . . . A 76 ASP HB3 . 34921 1 694 . 1 . 1 76 76 ASP C C 13 175.732 0.000 . 1 . . . . A 76 ASP C . 34921 1 695 . 1 . 1 76 76 ASP CA C 13 54.713 0.000 . 1 . . . . A 76 ASP CA . 34921 1 696 . 1 . 1 76 76 ASP CB C 13 40.858 0.000 . 1 . . . . A 76 ASP CB . 34921 1 697 . 1 . 1 76 76 ASP N N 15 118.494 0.000 . 1 . . . . A 76 ASP N . 34921 1 698 . 1 . 1 77 77 GLU H H 1 8.705 0.000 . 1 . . . . A 77 GLU H . 34921 1 699 . 1 . 1 77 77 GLU HA H 1 4.704 0.000 . 1 . . . . A 77 GLU HA . 34921 1 700 . 1 . 1 77 77 GLU HB2 H 1 1.936 0.000 . 2 . . . . A 77 GLU HB2 . 34921 1 701 . 1 . 1 77 77 GLU HB3 H 1 2.117 0.000 . 2 . . . . A 77 GLU HB3 . 34921 1 702 . 1 . 1 77 77 GLU HG2 H 1 2.363 0.000 . 2 . . . . A 77 GLU HG2 . 34921 1 703 . 1 . 1 77 77 GLU HG3 H 1 2.494 0.000 . 2 . . . . A 77 GLU HG3 . 34921 1 704 . 1 . 1 77 77 GLU C C 13 174.562 0.000 . 1 . . . . A 77 GLU C . 34921 1 705 . 1 . 1 77 77 GLU CA C 13 56.774 0.000 . 1 . . . . A 77 GLU CA . 34921 1 706 . 1 . 1 77 77 GLU CB C 13 30.413 0.000 . 1 . . . . A 77 GLU CB . 34921 1 707 . 1 . 1 77 77 GLU CG C 13 36.984 0.000 . 1 . . . . A 77 GLU CG . 34921 1 708 . 1 . 1 77 77 GLU N N 15 122.774 0.000 . 1 . . . . A 77 GLU N . 34921 1 709 . 1 . 1 78 78 CYS H H 1 8.865 0.000 . 1 . . . . A 78 CYS H . 34921 1 710 . 1 . 1 78 78 CYS HA H 1 4.519 0.000 . 1 . . . . A 78 CYS HA . 34921 1 711 . 1 . 1 78 78 CYS HB2 H 1 2.616 0.000 . 2 . . . . A 78 CYS HB2 . 34921 1 712 . 1 . 1 78 78 CYS HB3 H 1 3.269 0.000 . 2 . . . . A 78 CYS HB3 . 34921 1 713 . 1 . 1 78 78 CYS C C 13 178.600 0.000 . 1 . . . . A 78 CYS C . 34921 1 714 . 1 . 1 78 78 CYS CA C 13 55.097 0.000 . 1 . . . . A 78 CYS CA . 34921 1 715 . 1 . 1 78 78 CYS CB C 13 41.986 0.000 . 1 . . . . A 78 CYS CB . 34921 1 716 . 1 . 1 78 78 CYS N N 15 124.135 0.000 . 1 . . . . A 78 CYS N . 34921 1 717 . 1 . 1 79 79 TYR H H 1 8.939 0.000 . 1 . . . . A 79 TYR H . 34921 1 718 . 1 . 1 79 79 TYR HA H 1 4.619 0.000 . 1 . . . . A 79 TYR HA . 34921 1 719 . 1 . 1 79 79 TYR HB2 H 1 2.900 0.000 . 2 . . . . A 79 TYR HB2 . 34921 1 720 . 1 . 1 79 79 TYR HB3 H 1 3.099 0.000 . 2 . . . . A 79 TYR HB3 . 34921 1 721 . 1 . 1 79 79 TYR HD1 H 1 7.239 0.000 . 1 . . . . A 79 TYR HD1 . 34921 1 722 . 1 . 1 79 79 TYR HD2 H 1 7.240 0.000 . 1 . . . . A 79 TYR HD2 . 34921 1 723 . 1 . 1 79 79 TYR HE2 H 1 6.897 0.000 . 1 . . . . A 79 TYR HE2 . 34921 1 724 . 1 . 1 79 79 TYR C C 13 176.047 0.000 . 1 . . . . A 79 TYR C . 34921 1 725 . 1 . 1 79 79 TYR CA C 13 57.105 0.000 . 1 . . . . A 79 TYR CA . 34921 1 726 . 1 . 1 79 79 TYR CB C 13 39.715 0.000 . 1 . . . . A 79 TYR CB . 34921 1 727 . 1 . 1 79 79 TYR CD1 C 13 133.830 0.000 . 1 . . . . A 79 TYR CD1 . 34921 1 728 . 1 . 1 79 79 TYR CE1 C 13 118.271 0.000 . 1 . . . . A 79 TYR CE1 . 34921 1 729 . 1 . 1 79 79 TYR N N 15 125.573 0.000 . 1 . . . . A 79 TYR N . 34921 1 730 . 1 . 1 80 80 ASP H H 1 8.297 0.000 . 1 . . . . A 80 ASP H . 34921 1 731 . 1 . 1 80 80 ASP HA H 1 4.022 0.000 . 1 . . . . A 80 ASP HA . 34921 1 732 . 1 . 1 80 80 ASP HB2 H 1 1.786 0.000 . 2 . . . . A 80 ASP HB2 . 34921 1 733 . 1 . 1 80 80 ASP HB3 H 1 2.543 0.000 . 2 . . . . A 80 ASP HB3 . 34921 1 734 . 1 . 1 80 80 ASP C C 13 176.748 0.000 . 1 . . . . A 80 ASP C . 34921 1 735 . 1 . 1 80 80 ASP CA C 13 55.982 0.000 . 1 . . . . A 80 ASP CA . 34921 1 736 . 1 . 1 80 80 ASP CB C 13 41.308 0.000 . 1 . . . . A 80 ASP CB . 34921 1 737 . 1 . 1 80 80 ASP N N 15 125.102 0.000 . 1 . . . . A 80 ASP N . 34921 1 738 . 1 . 1 81 81 ILE H H 1 7.639 0.000 . 1 . . . . A 81 ILE H . 34921 1 739 . 1 . 1 81 81 ILE HA H 1 4.540 0.000 . 1 . . . . A 81 ILE HA . 34921 1 740 . 1 . 1 81 81 ILE HB H 1 2.163 0.000 . 1 . . . . A 81 ILE HB . 34921 1 741 . 1 . 1 81 81 ILE HG12 H 1 1.053 0.000 . 2 . . . . A 81 ILE HG12 . 34921 1 742 . 1 . 1 81 81 ILE HG13 H 1 1.410 0.000 . 2 . . . . A 81 ILE HG13 . 34921 1 743 . 1 . 1 81 81 ILE HG21 H 1 0.856 0.000 . 1 . . . . A 81 ILE HG21 . 34921 1 744 . 1 . 1 81 81 ILE HG22 H 1 0.856 0.000 . 1 . . . . A 81 ILE HG22 . 34921 1 745 . 1 . 1 81 81 ILE HG23 H 1 0.856 0.000 . 1 . . . . A 81 ILE HG23 . 34921 1 746 . 1 . 1 81 81 ILE HD11 H 1 0.859 0.000 . 1 . . . . A 81 ILE HD11 . 34921 1 747 . 1 . 1 81 81 ILE HD12 H 1 0.859 0.000 . 1 . . . . A 81 ILE HD12 . 34921 1 748 . 1 . 1 81 81 ILE HD13 H 1 0.859 0.000 . 1 . . . . A 81 ILE HD13 . 34921 1 749 . 1 . 1 81 81 ILE C C 13 177.413 0.000 . 1 . . . . A 81 ILE C . 34921 1 750 . 1 . 1 81 81 ILE CA C 13 60.465 0.000 . 1 . . . . A 81 ILE CA . 34921 1 751 . 1 . 1 81 81 ILE CB C 13 37.684 0.000 . 1 . . . . A 81 ILE CB . 34921 1 752 . 1 . 1 81 81 ILE CG1 C 13 26.070 0.000 . 1 . . . . A 81 ILE CG1 . 34921 1 753 . 1 . 1 81 81 ILE CG2 C 13 18.377 0.000 . 1 . . . . A 81 ILE CG2 . 34921 1 754 . 1 . 1 81 81 ILE CD1 C 13 14.051 0.000 . 1 . . . . A 81 ILE CD1 . 34921 1 755 . 1 . 1 81 81 ILE N N 15 115.241 0.000 . 1 . . . . A 81 ILE N . 34921 1 756 . 1 . 1 82 82 ASP H H 1 8.094 0.000 . 1 . . . . A 82 ASP H . 34921 1 757 . 1 . 1 82 82 ASP HA H 1 4.364 0.000 . 1 . . . . A 82 ASP HA . 34921 1 758 . 1 . 1 82 82 ASP HB2 H 1 2.537 0.000 . 2 . . . . A 82 ASP HB2 . 34921 1 759 . 1 . 1 82 82 ASP HB3 H 1 2.882 0.000 . 2 . . . . A 82 ASP HB3 . 34921 1 760 . 1 . 1 82 82 ASP C C 13 175.917 0.000 . 1 . . . . A 82 ASP C . 34921 1 761 . 1 . 1 82 82 ASP CA C 13 54.552 0.000 . 1 . . . . A 82 ASP CA . 34921 1 762 . 1 . 1 82 82 ASP CB C 13 40.894 0.000 . 1 . . . . A 82 ASP CB . 34921 1 763 . 1 . 1 82 82 ASP N N 15 122.263 0.000 . 1 . . . . A 82 ASP N . 34921 1 764 . 1 . 1 83 83 LYS H H 1 8.040 0.000 . 1 . . . . A 83 LYS H . 34921 1 765 . 1 . 1 83 83 LYS HA H 1 4.149 0.000 . 1 . . . . A 83 LYS HA . 34921 1 766 . 1 . 1 83 83 LYS HB2 H 1 0.651 0.000 . 2 . . . . A 83 LYS HB2 . 34921 1 767 . 1 . 1 83 83 LYS HB3 H 1 1.335 0.000 . 2 . . . . A 83 LYS HB3 . 34921 1 768 . 1 . 1 83 83 LYS HG2 H 1 1.132 0.000 . 2 . . . . A 83 LYS HG2 . 34921 1 769 . 1 . 1 83 83 LYS HG3 H 1 1.496 0.000 . 2 . . . . A 83 LYS HG3 . 34921 1 770 . 1 . 1 83 83 LYS HD2 H 1 1.359 0.000 . 2 . . . . A 83 LYS HD2 . 34921 1 771 . 1 . 1 83 83 LYS HD3 H 1 1.497 0.000 . 2 . . . . A 83 LYS HD3 . 34921 1 772 . 1 . 1 83 83 LYS HE2 H 1 2.806 0.000 . 2 . . . . A 83 LYS HE2 . 34921 1 773 . 1 . 1 83 83 LYS HE3 H 1 2.807 0.000 . 2 . . . . A 83 LYS HE3 . 34921 1 774 . 1 . 1 83 83 LYS C C 13 175.200 0.000 . 1 . . . . A 83 LYS C . 34921 1 775 . 1 . 1 83 83 LYS CA C 13 58.311 0.000 . 1 . . . . A 83 LYS CA . 34921 1 776 . 1 . 1 83 83 LYS CB C 13 31.550 0.000 . 1 . . . . A 83 LYS CB . 34921 1 777 . 1 . 1 83 83 LYS CG C 13 24.981 0.000 . 1 . . . . A 83 LYS CG . 34921 1 778 . 1 . 1 83 83 LYS CD C 13 29.861 0.000 . 1 . . . . A 83 LYS CD . 34921 1 779 . 1 . 1 83 83 LYS CE C 13 42.357 0.000 . 1 . . . . A 83 LYS CE . 34921 1 780 . 1 . 1 83 83 LYS N N 15 120.455 0.000 . 1 . . . . A 83 LYS N . 34921 1 781 . 1 . 1 84 84 ALA H H 1 9.246 0.000 . 1 . . . . A 84 ALA H . 34921 1 782 . 1 . 1 84 84 ALA HA H 1 4.968 0.000 . 1 . . . . A 84 ALA HA . 34921 1 783 . 1 . 1 84 84 ALA HB1 H 1 1.670 0.000 . 1 . . . . A 84 ALA HB1 . 34921 1 784 . 1 . 1 84 84 ALA HB2 H 1 1.670 0.000 . 1 . . . . A 84 ALA HB2 . 34921 1 785 . 1 . 1 84 84 ALA HB3 H 1 1.670 0.000 . 1 . . . . A 84 ALA HB3 . 34921 1 786 . 1 . 1 84 84 ALA C C 13 176.305 0.000 . 1 . . . . A 84 ALA C . 34921 1 787 . 1 . 1 84 84 ALA CA C 13 53.852 0.000 . 1 . . . . A 84 ALA CA . 34921 1 788 . 1 . 1 84 84 ALA CB C 13 23.305 0.000 . 1 . . . . A 84 ALA CB . 34921 1 789 . 1 . 1 84 84 ALA N N 15 129.806 0.000 . 1 . . . . A 84 ALA N . 34921 1 790 . 1 . 1 85 85 LEU H H 1 7.210 0.000 . 1 . . . . A 85 LEU H . 34921 1 791 . 1 . 1 85 85 LEU HA H 1 5.142 0.000 . 1 . . . . A 85 LEU HA . 34921 1 792 . 1 . 1 85 85 LEU HB2 H 1 0.986 0.000 . 2 . . . . A 85 LEU HB2 . 34921 1 793 . 1 . 1 85 85 LEU HB3 H 1 1.457 0.000 . 2 . . . . A 85 LEU HB3 . 34921 1 794 . 1 . 1 85 85 LEU HD21 H 1 -0.271 0.000 . 2 . . . . A 85 LEU HD21 . 34921 1 795 . 1 . 1 85 85 LEU HD22 H 1 -0.271 0.000 . 2 . . . . A 85 LEU HD22 . 34921 1 796 . 1 . 1 85 85 LEU HD23 H 1 -0.271 0.000 . 2 . . . . A 85 LEU HD23 . 34921 1 797 . 1 . 1 85 85 LEU C C 13 175.987 0.000 . 1 . . . . A 85 LEU C . 34921 1 798 . 1 . 1 85 85 LEU CA C 13 52.744 0.000 . 1 . . . . A 85 LEU CA . 34921 1 799 . 1 . 1 85 85 LEU CB C 13 48.319 0.000 . 1 . . . . A 85 LEU CB . 34921 1 800 . 1 . 1 85 85 LEU CD1 C 13 25.736 0.000 . 1 . . . . A 85 LEU CD1 . 34921 1 801 . 1 . 1 85 85 LEU CD2 C 13 26.066 0.000 . 1 . . . . A 85 LEU CD2 . 34921 1 802 . 1 . 1 85 85 LEU N N 15 112.377 0.000 . 1 . . . . A 85 LEU N . 34921 1 803 . 1 . 1 86 86 GLU H H 1 9.089 0.000 . 1 . . . . A 86 GLU H . 34921 1 804 . 1 . 1 86 86 GLU HA H 1 5.153 0.000 . 1 . . . . A 86 GLU HA . 34921 1 805 . 1 . 1 86 86 GLU HB2 H 1 1.826 0.000 . 2 . . . . A 86 GLU HB2 . 34921 1 806 . 1 . 1 86 86 GLU HG2 H 1 2.056 0.000 . 2 . . . . A 86 GLU HG2 . 34921 1 807 . 1 . 1 86 86 GLU HG3 H 1 2.308 0.000 . 2 . . . . A 86 GLU HG3 . 34921 1 808 . 1 . 1 86 86 GLU C C 13 175.779 0.000 . 1 . . . . A 86 GLU C . 34921 1 809 . 1 . 1 86 86 GLU CA C 13 55.070 0.000 . 1 . . . . A 86 GLU CA . 34921 1 810 . 1 . 1 86 86 GLU CB C 13 31.960 0.000 . 1 . . . . A 86 GLU CB . 34921 1 811 . 1 . 1 86 86 GLU CG C 13 34.829 0.000 . 1 . . . . A 86 GLU CG . 34921 1 812 . 1 . 1 86 86 GLU N N 15 122.296 0.000 . 1 . . . . A 86 GLU N . 34921 1 813 . 1 . 1 87 87 VAL H H 1 8.667 0.000 . 1 . . . . A 87 VAL H . 34921 1 814 . 1 . 1 87 87 VAL HA H 1 5.758 0.000 . 1 . . . . A 87 VAL HA . 34921 1 815 . 1 . 1 87 87 VAL HB H 1 2.366 0.000 . 1 . . . . A 87 VAL HB . 34921 1 816 . 1 . 1 87 87 VAL HG11 H 1 1.096 0.000 . 2 . . . . A 87 VAL HG11 . 34921 1 817 . 1 . 1 87 87 VAL HG12 H 1 1.096 0.000 . 2 . . . . A 87 VAL HG12 . 34921 1 818 . 1 . 1 87 87 VAL HG13 H 1 1.096 0.000 . 2 . . . . A 87 VAL HG13 . 34921 1 819 . 1 . 1 87 87 VAL HG21 H 1 0.937 0.000 . 2 . . . . A 87 VAL HG21 . 34921 1 820 . 1 . 1 87 87 VAL HG22 H 1 0.937 0.000 . 2 . . . . A 87 VAL HG22 . 34921 1 821 . 1 . 1 87 87 VAL HG23 H 1 0.937 0.000 . 2 . . . . A 87 VAL HG23 . 34921 1 822 . 1 . 1 87 87 VAL C C 13 176.549 0.000 . 1 . . . . A 87 VAL C . 34921 1 823 . 1 . 1 87 87 VAL CA C 13 58.362 0.000 . 1 . . . . A 87 VAL CA . 34921 1 824 . 1 . 1 87 87 VAL CB C 13 36.417 0.000 . 1 . . . . A 87 VAL CB . 34921 1 825 . 1 . 1 87 87 VAL CG1 C 13 18.408 0.000 . 1 . . . . A 87 VAL CG1 . 34921 1 826 . 1 . 1 87 87 VAL CG2 C 13 23.243 0.000 . 1 . . . . A 87 VAL CG2 . 34921 1 827 . 1 . 1 87 87 VAL N N 15 119.018 0.000 . 1 . . . . A 87 VAL N . 34921 1 828 . 1 . 1 88 88 ASN H H 1 8.362 0.000 . 1 . . . . A 88 ASN H . 34921 1 829 . 1 . 1 88 88 ASN HA H 1 4.739 0.000 . 1 . . . . A 88 ASN HA . 34921 1 830 . 1 . 1 88 88 ASN HB2 H 1 2.767 0.000 . 2 . . . . A 88 ASN HB2 . 34921 1 831 . 1 . 1 88 88 ASN HB3 H 1 3.054 0.000 . 2 . . . . A 88 ASN HB3 . 34921 1 832 . 1 . 1 88 88 ASN HD21 H 1 7.754 0.000 . 2 . . . . A 88 ASN HD21 . 34921 1 833 . 1 . 1 88 88 ASN HD22 H 1 7.843 0.000 . 2 . . . . A 88 ASN HD22 . 34921 1 834 . 1 . 1 88 88 ASN C C 13 177.905 0.000 . 1 . . . . A 88 ASN C . 34921 1 835 . 1 . 1 88 88 ASN CA C 13 55.383 0.000 . 1 . . . . A 88 ASN CA . 34921 1 836 . 1 . 1 88 88 ASN CB C 13 38.575 0.000 . 1 . . . . A 88 ASN CB . 34921 1 837 . 1 . 1 88 88 ASN N N 15 116.692 0.000 . 1 . . . . A 88 ASN N . 34921 1 838 . 1 . 1 88 88 ASN ND2 N 15 118.258 0.000 . 1 . . . . A 88 ASN ND2 . 34921 1 839 . 1 . 1 89 89 GLU H H 1 7.386 0.002 . 1 . . . . A 89 GLU H . 34921 1 840 . 1 . 1 89 89 GLU HA H 1 4.521 0.003 . 1 . . . . A 89 GLU HA . 34921 1 841 . 1 . 1 89 89 GLU HB2 H 1 2.273 0.004 . 2 . . . . A 89 GLU HB2 . 34921 1 842 . 1 . 1 89 89 GLU HB3 H 1 1.928 0.003 . 2 . . . . A 89 GLU HB3 . 34921 1 843 . 1 . 1 89 89 GLU HG2 H 1 1.653 0.002 . 2 . . . . A 89 GLU HG2 . 34921 1 844 . 1 . 1 89 89 GLU HG3 H 1 2.102 0.001 . 2 . . . . A 89 GLU HG3 . 34921 1 845 . 1 . 1 89 89 GLU C C 13 178.526 0.001 . 1 . . . . A 89 GLU C . 34921 1 846 . 1 . 1 89 89 GLU CA C 13 55.251 0.000 . 1 . . . . A 89 GLU CA . 34921 1 847 . 1 . 1 89 89 GLU CB C 13 31.560 0.015 . 1 . . . . A 89 GLU CB . 34921 1 848 . 1 . 1 89 89 GLU CG C 13 35.655 0.055 . 1 . . . . A 89 GLU CG . 34921 1 849 . 1 . 1 89 89 GLU N N 15 115.273 0.023 . 1 . . . . A 89 GLU N . 34921 1 850 . 1 . 1 90 90 SER H H 1 8.030 0.000 . 1 . . . . A 90 SER H . 34921 1 851 . 1 . 1 90 90 SER HA H 1 3.459 0.000 . 1 . . . . A 90 SER HA . 34921 1 852 . 1 . 1 90 90 SER HB2 H 1 3.457 0.000 . 2 . . . . A 90 SER HB2 . 34921 1 853 . 1 . 1 90 90 SER HB3 H 1 4.764 0.000 . 2 . . . . A 90 SER HB3 . 34921 1 854 . 1 . 1 90 90 SER C C 13 175.883 0.000 . 1 . . . . A 90 SER C . 34921 1 855 . 1 . 1 90 90 SER CA C 13 61.577 0.000 . 1 . . . . A 90 SER CA . 34921 1 856 . 1 . 1 90 90 SER CB C 13 61.688 0.000 . 1 . . . . A 90 SER CB . 34921 1 857 . 1 . 1 90 90 SER N N 15 112.882 0.000 . 1 . . . . A 90 SER N . 34921 1 858 . 1 . 1 91 91 ASP H H 1 7.767 0.000 . 1 . . . . A 91 ASP H . 34921 1 859 . 1 . 1 91 91 ASP HA H 1 4.368 0.000 . 1 . . . . A 91 ASP HA . 34921 1 860 . 1 . 1 91 91 ASP HB2 H 1 2.547 0.000 . 2 . . . . A 91 ASP HB2 . 34921 1 861 . 1 . 1 91 91 ASP HB3 H 1 2.645 0.000 . 2 . . . . A 91 ASP HB3 . 34921 1 862 . 1 . 1 91 91 ASP C C 13 175.927 0.000 . 1 . . . . A 91 ASP C . 34921 1 863 . 1 . 1 91 91 ASP CA C 13 57.774 0.000 . 1 . . . . A 91 ASP CA . 34921 1 864 . 1 . 1 91 91 ASP CB C 13 40.365 0.000 . 1 . . . . A 91 ASP CB . 34921 1 865 . 1 . 1 91 91 ASP N N 15 121.138 0.000 . 1 . . . . A 91 ASP N . 34921 1 866 . 1 . 1 92 92 ASP H H 1 8.548 0.002 . 1 . . . . A 92 ASP H . 34921 1 867 . 1 . 1 92 92 ASP HA H 1 4.875 0.005 . 1 . . . . A 92 ASP HA . 34921 1 868 . 1 . 1 92 92 ASP HB2 H 1 2.656 0.002 . 2 . . . . A 92 ASP HB2 . 34921 1 869 . 1 . 1 92 92 ASP HB3 H 1 2.341 0.004 . 2 . . . . A 92 ASP HB3 . 34921 1 870 . 1 . 1 92 92 ASP C C 13 179.981 0.000 . 1 . . . . A 92 ASP C . 34921 1 871 . 1 . 1 92 92 ASP CA C 13 51.957 0.082 . 1 . . . . A 92 ASP CA . 34921 1 872 . 1 . 1 92 92 ASP CB C 13 40.660 0.138 . 1 . . . . A 92 ASP CB . 34921 1 873 . 1 . 1 92 92 ASP N N 15 117.354 0.028 . 1 . . . . A 92 ASP N . 34921 1 874 . 1 . 1 93 93 PRO HA H 1 4.353 0.000 . 1 . . . . A 93 PRO HA . 34921 1 875 . 1 . 1 93 93 PRO HB2 H 1 1.843 0.000 . 2 . . . . A 93 PRO HB2 . 34921 1 876 . 1 . 1 93 93 PRO HB3 H 1 2.610 0.000 . 2 . . . . A 93 PRO HB3 . 34921 1 877 . 1 . 1 93 93 PRO HG3 H 1 1.711 0.000 . 2 . . . . A 93 PRO HG3 . 34921 1 878 . 1 . 1 93 93 PRO HD2 H 1 3.303 0.000 . 2 . . . . A 93 PRO HD2 . 34921 1 879 . 1 . 1 93 93 PRO HD3 H 1 3.610 0.000 . 2 . . . . A 93 PRO HD3 . 34921 1 880 . 1 . 1 93 93 PRO C C 13 174.180 0.000 . 1 . . . . A 93 PRO C . 34921 1 881 . 1 . 1 93 93 PRO CA C 13 63.775 0.000 . 1 . . . . A 93 PRO CA . 34921 1 882 . 1 . 1 93 93 PRO CB C 13 33.166 0.000 . 1 . . . . A 93 PRO CB . 34921 1 883 . 1 . 1 93 93 PRO CG C 13 27.155 0.000 . 1 . . . . A 93 PRO CG . 34921 1 884 . 1 . 1 93 93 PRO CD C 13 50.114 0.000 . 1 . . . . A 93 PRO CD . 34921 1 885 . 1 . 1 94 94 ASN H H 1 8.726 0.000 . 1 . . . . A 94 ASN H . 34921 1 886 . 1 . 1 94 94 ASN HA H 1 5.031 0.000 . 1 . . . . A 94 ASN HA . 34921 1 887 . 1 . 1 94 94 ASN HB2 H 1 2.826 0.000 . 2 . . . . A 94 ASN HB2 . 34921 1 888 . 1 . 1 94 94 ASN HB3 H 1 2.928 0.000 . 2 . . . . A 94 ASN HB3 . 34921 1 889 . 1 . 1 94 94 ASN HD21 H 1 6.779 0.000 . 2 . . . . A 94 ASN HD21 . 34921 1 890 . 1 . 1 94 94 ASN C C 13 178.255 0.000 . 1 . . . . A 94 ASN C . 34921 1 891 . 1 . 1 94 94 ASN CA C 13 52.693 0.000 . 1 . . . . A 94 ASN CA . 34921 1 892 . 1 . 1 94 94 ASN CB C 13 39.701 0.000 . 1 . . . . A 94 ASN CB . 34921 1 893 . 1 . 1 94 94 ASN N N 15 119.911 0.000 . 1 . . . . A 94 ASN N . 34921 1 894 . 1 . 1 95 95 SER H H 1 7.653 0.002 . 1 . . . . A 95 SER H . 34921 1 895 . 1 . 1 95 95 SER HA H 1 4.793 0.003 . 1 . . . . A 95 SER HA . 34921 1 896 . 1 . 1 95 95 SER HB2 H 1 3.744 0.002 . 2 . . . . A 95 SER HB2 . 34921 1 897 . 1 . 1 95 95 SER HB3 H 1 3.642 0.004 . 2 . . . . A 95 SER HB3 . 34921 1 898 . 1 . 1 95 95 SER C C 13 179.240 0.011 . 1 . . . . A 95 SER C . 34921 1 899 . 1 . 1 95 95 SER CA C 13 57.066 0.009 . 1 . . . . A 95 SER CA . 34921 1 900 . 1 . 1 95 95 SER CB C 13 64.162 0.000 . 1 . . . . A 95 SER CB . 34921 1 901 . 1 . 1 95 95 SER N N 15 116.075 0.038 . 1 . . . . A 95 SER N . 34921 1 902 . 1 . 1 96 96 VAL H H 1 8.728 0.000 . 1 . . . . A 96 VAL H . 34921 1 903 . 1 . 1 96 96 VAL HA H 1 4.714 0.000 . 1 . . . . A 96 VAL HA . 34921 1 904 . 1 . 1 96 96 VAL HB H 1 1.641 0.000 . 1 . . . . A 96 VAL HB . 34921 1 905 . 1 . 1 96 96 VAL HG11 H 1 0.192 0.000 . 2 . . . . A 96 VAL HG11 . 34921 1 906 . 1 . 1 96 96 VAL HG12 H 1 0.192 0.000 . 2 . . . . A 96 VAL HG12 . 34921 1 907 . 1 . 1 96 96 VAL HG13 H 1 0.192 0.000 . 2 . . . . A 96 VAL HG13 . 34921 1 908 . 1 . 1 96 96 VAL HG21 H 1 0.330 0.000 . 2 . . . . A 96 VAL HG21 . 34921 1 909 . 1 . 1 96 96 VAL HG22 H 1 0.330 0.000 . 2 . . . . A 96 VAL HG22 . 34921 1 910 . 1 . 1 96 96 VAL HG23 H 1 0.330 0.000 . 2 . . . . A 96 VAL HG23 . 34921 1 911 . 1 . 1 96 96 VAL C C 13 178.508 0.000 . 1 . . . . A 96 VAL C . 34921 1 912 . 1 . 1 96 96 VAL CA C 13 60.694 0.000 . 1 . . . . A 96 VAL CA . 34921 1 913 . 1 . 1 96 96 VAL CB C 13 35.985 0.000 . 1 . . . . A 96 VAL CB . 34921 1 914 . 1 . 1 96 96 VAL CG1 C 13 21.139 0.000 . 1 . . . . A 96 VAL CG1 . 34921 1 915 . 1 . 1 96 96 VAL CG2 C 13 21.137 0.000 . 1 . . . . A 96 VAL CG2 . 34921 1 916 . 1 . 1 96 96 VAL N N 15 125.505 0.000 . 1 . . . . A 96 VAL N . 34921 1 917 . 1 . 1 97 97 GLU H H 1 9.001 0.000 . 1 . . . . A 97 GLU H . 34921 1 918 . 1 . 1 97 97 GLU HA H 1 4.745 0.000 . 1 . . . . A 97 GLU HA . 34921 1 919 . 1 . 1 97 97 GLU HB2 H 1 1.721 0.000 . 2 . . . . A 97 GLU HB2 . 34921 1 920 . 1 . 1 97 97 GLU HB3 H 1 1.838 0.000 . 2 . . . . A 97 GLU HB3 . 34921 1 921 . 1 . 1 97 97 GLU HG2 H 1 1.804 0.000 . 2 . . . . A 97 GLU HG2 . 34921 1 922 . 1 . 1 97 97 GLU HG3 H 1 1.973 0.000 . 2 . . . . A 97 GLU HG3 . 34921 1 923 . 1 . 1 97 97 GLU C C 13 177.678 0.000 . 1 . . . . A 97 GLU C . 34921 1 924 . 1 . 1 97 97 GLU CA C 13 54.449 0.000 . 1 . . . . A 97 GLU CA . 34921 1 925 . 1 . 1 97 97 GLU CB C 13 33.063 0.000 . 1 . . . . A 97 GLU CB . 34921 1 926 . 1 . 1 97 97 GLU CG C 13 36.458 0.000 . 1 . . . . A 97 GLU CG . 34921 1 927 . 1 . 1 97 97 GLU N N 15 128.353 0.000 . 1 . . . . A 97 GLU N . 34921 1 928 . 1 . 1 98 98 VAL H H 1 8.770 0.000 . 1 . . . . A 98 VAL H . 34921 1 929 . 1 . 1 98 98 VAL HA H 1 3.945 0.000 . 1 . . . . A 98 VAL HA . 34921 1 930 . 1 . 1 98 98 VAL HB H 1 1.997 0.000 . 1 . . . . A 98 VAL HB . 34921 1 931 . 1 . 1 98 98 VAL HG11 H 1 0.951 0.000 . 2 . . . . A 98 VAL HG11 . 34921 1 932 . 1 . 1 98 98 VAL HG12 H 1 0.951 0.000 . 2 . . . . A 98 VAL HG12 . 34921 1 933 . 1 . 1 98 98 VAL HG13 H 1 0.951 0.000 . 2 . . . . A 98 VAL HG13 . 34921 1 934 . 1 . 1 98 98 VAL HG21 H 1 0.811 0.000 . 2 . . . . A 98 VAL HG21 . 34921 1 935 . 1 . 1 98 98 VAL HG22 H 1 0.811 0.000 . 2 . . . . A 98 VAL HG22 . 34921 1 936 . 1 . 1 98 98 VAL HG23 H 1 0.811 0.000 . 2 . . . . A 98 VAL HG23 . 34921 1 937 . 1 . 1 98 98 VAL C C 13 177.218 0.000 . 1 . . . . A 98 VAL C . 34921 1 938 . 1 . 1 98 98 VAL CA C 13 62.657 0.000 . 1 . . . . A 98 VAL CA . 34921 1 939 . 1 . 1 98 98 VAL CB C 13 32.115 0.000 . 1 . . . . A 98 VAL CB . 34921 1 940 . 1 . 1 98 98 VAL CG1 C 13 22.794 0.000 . 1 . . . . A 98 VAL CG1 . 34921 1 941 . 1 . 1 98 98 VAL CG2 C 13 22.754 0.000 . 1 . . . . A 98 VAL CG2 . 34921 1 942 . 1 . 1 98 98 VAL N N 15 127.932 0.000 . 1 . . . . A 98 VAL N . 34921 1 943 . 1 . 1 99 99 LEU H H 1 8.156 0.000 . 1 . . . . A 99 LEU H . 34921 1 944 . 1 . 1 99 99 LEU HA H 1 4.505 0.000 . 1 . . . . A 99 LEU HA . 34921 1 945 . 1 . 1 99 99 LEU HB2 H 1 1.440 0.000 . 2 . . . . A 99 LEU HB2 . 34921 1 946 . 1 . 1 99 99 LEU HB3 H 1 1.595 0.000 . 2 . . . . A 99 LEU HB3 . 34921 1 947 . 1 . 1 99 99 LEU HG H 1 1.353 0.000 . 1 . . . . A 99 LEU HG . 34921 1 948 . 1 . 1 99 99 LEU HD11 H 1 0.628 0.000 . 2 . . . . A 99 LEU HD11 . 34921 1 949 . 1 . 1 99 99 LEU HD12 H 1 0.628 0.000 . 2 . . . . A 99 LEU HD12 . 34921 1 950 . 1 . 1 99 99 LEU HD13 H 1 0.628 0.000 . 2 . . . . A 99 LEU HD13 . 34921 1 951 . 1 . 1 99 99 LEU HD21 H 1 0.615 0.000 . 2 . . . . A 99 LEU HD21 . 34921 1 952 . 1 . 1 99 99 LEU HD22 H 1 0.615 0.000 . 2 . . . . A 99 LEU HD22 . 34921 1 953 . 1 . 1 99 99 LEU HD23 H 1 0.615 0.000 . 2 . . . . A 99 LEU HD23 . 34921 1 954 . 1 . 1 99 99 LEU C C 13 175.588 0.000 . 1 . . . . A 99 LEU C . 34921 1 955 . 1 . 1 99 99 LEU CA C 13 54.952 0.000 . 1 . . . . A 99 LEU CA . 34921 1 956 . 1 . 1 99 99 LEU CB C 13 41.360 0.000 . 1 . . . . A 99 LEU CB . 34921 1 957 . 1 . 1 99 99 LEU CD1 C 13 21.692 0.000 . 1 . . . . A 99 LEU CD1 . 34921 1 958 . 1 . 1 99 99 LEU CD2 C 13 25.517 0.000 . 1 . . . . A 99 LEU CD2 . 34921 1 959 . 1 . 1 99 99 LEU N N 15 122.757 0.000 . 1 . . . . A 99 LEU N . 34921 1 960 . 1 . 1 100 100 CYS H H 1 7.801 0.000 . 1 . . . . A 100 CYS H . 34921 1 961 . 1 . 1 100 100 CYS HA H 1 4.823 0.000 . 1 . . . . A 100 CYS HA . 34921 1 962 . 1 . 1 100 100 CYS HB2 H 1 3.106 0.000 . 2 . . . . A 100 CYS HB2 . 34921 1 963 . 1 . 1 100 100 CYS HB3 H 1 3.417 0.000 . 2 . . . . A 100 CYS HB3 . 34921 1 964 . 1 . 1 100 100 CYS C C 13 181.040 0.000 . 1 . . . . A 100 CYS C . 34921 1 965 . 1 . 1 100 100 CYS CA C 13 54.127 0.000 . 1 . . . . A 100 CYS CA . 34921 1 966 . 1 . 1 100 100 CYS CB C 13 44.129 0.000 . 1 . . . . A 100 CYS CB . 34921 1 967 . 1 . 1 100 100 CYS N N 15 111.981 0.000 . 1 . . . . A 100 CYS N . 34921 1 968 . 1 . 1 101 101 HIS H H 1 9.023 0.000 . 1 . . . . A 101 HIS H . 34921 1 969 . 1 . 1 101 101 HIS HA H 1 4.458 0.000 . 1 . . . . A 101 HIS HA . 34921 1 970 . 1 . 1 101 101 HIS HB2 H 1 2.631 0.000 . 2 . . . . A 101 HIS HB2 . 34921 1 971 . 1 . 1 101 101 HIS HB3 H 1 3.425 0.000 . 2 . . . . A 101 HIS HB3 . 34921 1 972 . 1 . 1 101 101 HIS HE1 H 1 7.868 0.000 . 1 . . . . A 101 HIS HE1 . 34921 1 973 . 1 . 1 101 101 HIS C C 13 180.835 0.000 . 1 . . . . A 101 HIS C . 34921 1 974 . 1 . 1 101 101 HIS CA C 13 55.571 0.000 . 1 . . . . A 101 HIS CA . 34921 1 975 . 1 . 1 101 101 HIS CB C 13 30.492 0.000 . 1 . . . . A 101 HIS CB . 34921 1 976 . 1 . 1 101 101 HIS CE1 C 13 137.330 0.000 . 1 . . . . A 101 HIS CE1 . 34921 1 977 . 1 . 1 101 101 HIS N N 15 120.900 0.000 . 1 . . . . A 101 HIS N . 34921 1 978 . 1 . 1 102 102 CYS H H 1 8.311 0.000 . 1 . . . . A 102 CYS H . 34921 1 979 . 1 . 1 102 102 CYS HA H 1 5.110 0.000 . 1 . . . . A 102 CYS HA . 34921 1 980 . 1 . 1 102 102 CYS HB2 H 1 2.011 0.000 . 2 . . . . A 102 CYS HB2 . 34921 1 981 . 1 . 1 102 102 CYS HB3 H 1 2.021 0.000 . 2 . . . . A 102 CYS HB3 . 34921 1 982 . 1 . 1 102 102 CYS CA C 13 49.586 0.000 . 1 . . . . A 102 CYS CA . 34921 1 983 . 1 . 1 102 102 CYS CB C 13 39.180 0.000 . 1 . . . . A 102 CYS CB . 34921 1 984 . 1 . 1 102 102 CYS N N 15 103.460 0.000 . 1 . . . . A 102 CYS N . 34921 1 985 . 1 . 1 103 103 PRO HA H 1 4.102 0.000 . 1 . . . . A 103 PRO HA . 34921 1 986 . 1 . 1 103 103 PRO HB2 H 1 2.110 0.000 . 2 . . . . A 103 PRO HB2 . 34921 1 987 . 1 . 1 103 103 PRO HB3 H 1 2.207 0.000 . 2 . . . . A 103 PRO HB3 . 34921 1 988 . 1 . 1 103 103 PRO HG3 H 1 1.820 0.000 . 2 . . . . A 103 PRO HG3 . 34921 1 989 . 1 . 1 103 103 PRO HD2 H 1 3.340 0.000 . 2 . . . . A 103 PRO HD2 . 34921 1 990 . 1 . 1 103 103 PRO HD3 H 1 3.751 0.000 . 2 . . . . A 103 PRO HD3 . 34921 1 991 . 1 . 1 103 103 PRO C C 13 176.278 0.000 . 1 . . . . A 103 PRO C . 34921 1 992 . 1 . 1 103 103 PRO CA C 13 63.035 0.000 . 1 . . . . A 103 PRO CA . 34921 1 993 . 1 . 1 103 103 PRO CB C 13 33.140 0.000 . 1 . . . . A 103 PRO CB . 34921 1 994 . 1 . 1 103 103 PRO CG C 13 27.146 0.000 . 1 . . . . A 103 PRO CG . 34921 1 995 . 1 . 1 103 103 PRO CD C 13 51.732 0.000 . 1 . . . . A 103 PRO CD . 34921 1 996 . 1 . 1 104 104 SER H H 1 8.357 0.000 . 1 . . . . A 104 SER H . 34921 1 997 . 1 . 1 104 104 SER HA H 1 4.190 0.000 . 1 . . . . A 104 SER HA . 34921 1 998 . 1 . 1 104 104 SER HB2 H 1 4.002 0.000 . 2 . . . . A 104 SER HB2 . 34921 1 999 . 1 . 1 104 104 SER C C 13 177.899 0.000 . 1 . . . . A 104 SER C . 34921 1 1000 . 1 . 1 104 104 SER CA C 13 61.493 0.000 . 1 . . . . A 104 SER CA . 34921 1 1001 . 1 . 1 104 104 SER CB C 13 63.454 0.000 . 1 . . . . A 104 SER CB . 34921 1 1002 . 1 . 1 104 104 SER N N 15 111.333 0.000 . 1 . . . . A 104 SER N . 34921 1 1003 . 1 . 1 105 105 ASP H H 1 8.669 0.000 . 1 . . . . A 105 ASP H . 34921 1 1004 . 1 . 1 105 105 ASP HB3 H 1 2.823 0.000 . 2 . . . . A 105 ASP HB3 . 34921 1 1005 . 1 . 1 105 105 ASP C C 13 177.721 0.000 . 1 . . . . A 105 ASP C . 34921 1 1006 . 1 . 1 105 105 ASP CA C 13 53.742 0.000 . 1 . . . . A 105 ASP CA . 34921 1 1007 . 1 . 1 105 105 ASP CB C 13 39.224 0.000 . 1 . . . . A 105 ASP CB . 34921 1 1008 . 1 . 1 105 105 ASP N N 15 118.517 0.000 . 1 . . . . A 105 ASP N . 34921 1 1009 . 1 . 1 106 106 LYS H H 1 8.339 0.000 . 1 . . . . A 106 LYS H . 34921 1 1010 . 1 . 1 106 106 LYS HA H 1 4.518 0.000 . 1 . . . . A 106 LYS HA . 34921 1 1011 . 1 . 1 106 106 LYS HB2 H 1 1.384 0.000 . 2 . . . . A 106 LYS HB2 . 34921 1 1012 . 1 . 1 106 106 LYS HB3 H 1 1.492 0.000 . 2 . . . . A 106 LYS HB3 . 34921 1 1013 . 1 . 1 106 106 LYS HG2 H 1 0.976 0.000 . 2 . . . . A 106 LYS HG2 . 34921 1 1014 . 1 . 1 106 106 LYS HG3 H 1 1.237 0.000 . 2 . . . . A 106 LYS HG3 . 34921 1 1015 . 1 . 1 106 106 LYS HD2 H 1 1.352 0.000 . 2 . . . . A 106 LYS HD2 . 34921 1 1016 . 1 . 1 106 106 LYS HD3 H 1 1.356 0.000 . 2 . . . . A 106 LYS HD3 . 34921 1 1017 . 1 . 1 106 106 LYS HE2 H 1 2.824 0.000 . 2 . . . . A 106 LYS HE2 . 34921 1 1018 . 1 . 1 106 106 LYS HE3 H 1 2.877 0.000 . 2 . . . . A 106 LYS HE3 . 34921 1 1019 . 1 . 1 106 106 LYS C C 13 178.015 0.000 . 1 . . . . A 106 LYS C . 34921 1 1020 . 1 . 1 106 106 LYS CA C 13 55.645 0.000 . 1 . . . . A 106 LYS CA . 34921 1 1021 . 1 . 1 106 106 LYS CB C 13 38.084 0.000 . 1 . . . . A 106 LYS CB . 34921 1 1022 . 1 . 1 106 106 LYS CG C 13 26.647 0.000 . 1 . . . . A 106 LYS CG . 34921 1 1023 . 1 . 1 106 106 LYS CD C 13 30.459 0.000 . 1 . . . . A 106 LYS CD . 34921 1 1024 . 1 . 1 106 106 LYS CE C 13 42.435 0.000 . 1 . . . . A 106 LYS CE . 34921 1 1025 . 1 . 1 106 106 LYS N N 15 122.232 0.000 . 1 . . . . A 106 LYS N . 34921 1 1026 . 1 . 1 107 107 ILE H H 1 8.721 0.000 . 1 . . . . A 107 ILE H . 34921 1 1027 . 1 . 1 107 107 ILE HA H 1 4.749 0.000 . 1 . . . . A 107 ILE HA . 34921 1 1028 . 1 . 1 107 107 ILE HB H 1 1.792 0.000 . 1 . . . . A 107 ILE HB . 34921 1 1029 . 1 . 1 107 107 ILE HG12 H 1 1.059 0.000 . 2 . . . . A 107 ILE HG12 . 34921 1 1030 . 1 . 1 107 107 ILE HG13 H 1 1.625 0.000 . 2 . . . . A 107 ILE HG13 . 34921 1 1031 . 1 . 1 107 107 ILE HG21 H 1 0.896 0.000 . 1 . . . . A 107 ILE HG21 . 34921 1 1032 . 1 . 1 107 107 ILE HG22 H 1 0.896 0.000 . 1 . . . . A 107 ILE HG22 . 34921 1 1033 . 1 . 1 107 107 ILE HG23 H 1 0.896 0.000 . 1 . . . . A 107 ILE HG23 . 34921 1 1034 . 1 . 1 107 107 ILE HD11 H 1 1.052 0.000 . 1 . . . . A 107 ILE HD11 . 34921 1 1035 . 1 . 1 107 107 ILE HD12 H 1 1.052 0.000 . 1 . . . . A 107 ILE HD12 . 34921 1 1036 . 1 . 1 107 107 ILE HD13 H 1 1.052 0.000 . 1 . . . . A 107 ILE HD13 . 34921 1 1037 . 1 . 1 107 107 ILE C C 13 177.447 0.000 . 1 . . . . A 107 ILE C . 34921 1 1038 . 1 . 1 107 107 ILE CA C 13 58.986 0.000 . 1 . . . . A 107 ILE CA . 34921 1 1039 . 1 . 1 107 107 ILE CB C 13 42.974 0.000 . 1 . . . . A 107 ILE CB . 34921 1 1040 . 1 . 1 107 107 ILE CG1 C 13 25.491 0.000 . 1 . . . . A 107 ILE CG1 . 34921 1 1041 . 1 . 1 107 107 ILE CG2 C 13 18.947 0.000 . 1 . . . . A 107 ILE CG2 . 34921 1 1042 . 1 . 1 107 107 ILE CD1 C 13 15.129 0.000 . 1 . . . . A 107 ILE CD1 . 34921 1 1043 . 1 . 1 107 107 ILE N N 15 113.834 0.000 . 1 . . . . A 107 ILE N . 34921 1 1044 . 1 . 1 108 108 TYR H H 1 7.755 0.000 . 1 . . . . A 108 TYR H . 34921 1 1045 . 1 . 1 108 108 TYR HA H 1 5.810 0.000 . 1 . . . . A 108 TYR HA . 34921 1 1046 . 1 . 1 108 108 TYR HB2 H 1 2.611 0.000 . 2 . . . . A 108 TYR HB2 . 34921 1 1047 . 1 . 1 108 108 TYR HB3 H 1 3.482 0.000 . 2 . . . . A 108 TYR HB3 . 34921 1 1048 . 1 . 1 108 108 TYR HD1 H 1 6.723 0.000 . 1 . . . . A 108 TYR HD1 . 34921 1 1049 . 1 . 1 108 108 TYR HE1 H 1 6.725 0.000 . 1 . . . . A 108 TYR HE1 . 34921 1 1050 . 1 . 1 108 108 TYR HE2 H 1 6.729 0.000 . 1 . . . . A 108 TYR HE2 . 34921 1 1051 . 1 . 1 108 108 TYR C C 13 178.508 0.000 . 1 . . . . A 108 TYR C . 34921 1 1052 . 1 . 1 108 108 TYR CA C 13 56.691 0.000 . 1 . . . . A 108 TYR CA . 34921 1 1053 . 1 . 1 108 108 TYR CB C 13 38.081 0.000 . 1 . . . . A 108 TYR CB . 34921 1 1054 . 1 . 1 108 108 TYR CE1 C 13 117.951 0.000 . 1 . . . . A 108 TYR CE1 . 34921 1 1055 . 1 . 1 108 108 TYR N N 15 119.446 0.000 . 1 . . . . A 108 TYR N . 34921 1 1056 . 1 . 1 109 109 LEU H H 1 9.352 0.000 . 1 . . . . A 109 LEU H . 34921 1 1057 . 1 . 1 109 109 LEU HA H 1 5.521 0.000 . 1 . . . . A 109 LEU HA . 34921 1 1058 . 1 . 1 109 109 LEU HB2 H 1 1.256 0.000 . 2 . . . . A 109 LEU HB2 . 34921 1 1059 . 1 . 1 109 109 LEU HB3 H 1 1.791 0.000 . 2 . . . . A 109 LEU HB3 . 34921 1 1060 . 1 . 1 109 109 LEU HG H 1 1.714 0.000 . 1 . . . . A 109 LEU HG . 34921 1 1061 . 1 . 1 109 109 LEU HD11 H 1 1.241 0.000 . 2 . . . . A 109 LEU HD11 . 34921 1 1062 . 1 . 1 109 109 LEU HD12 H 1 1.241 0.000 . 2 . . . . A 109 LEU HD12 . 34921 1 1063 . 1 . 1 109 109 LEU HD13 H 1 1.241 0.000 . 2 . . . . A 109 LEU HD13 . 34921 1 1064 . 1 . 1 109 109 LEU HD21 H 1 0.827 0.000 . 2 . . . . A 109 LEU HD21 . 34921 1 1065 . 1 . 1 109 109 LEU HD22 H 1 0.827 0.000 . 2 . . . . A 109 LEU HD22 . 34921 1 1066 . 1 . 1 109 109 LEU HD23 H 1 0.827 0.000 . 2 . . . . A 109 LEU HD23 . 34921 1 1067 . 1 . 1 109 109 LEU C C 13 176.661 0.000 . 1 . . . . A 109 LEU C . 34921 1 1068 . 1 . 1 109 109 LEU CA C 13 53.351 0.000 . 1 . . . . A 109 LEU CA . 34921 1 1069 . 1 . 1 109 109 LEU CB C 13 47.903 0.000 . 1 . . . . A 109 LEU CB . 34921 1 1070 . 1 . 1 109 109 LEU CG C 13 26.580 0.000 . 1 . . . . A 109 LEU CG . 34921 1 1071 . 1 . 1 109 109 LEU CD1 C 13 23.369 0.000 . 1 . . . . A 109 LEU CD1 . 34921 1 1072 . 1 . 1 109 109 LEU CD2 C 13 27.151 0.000 . 1 . . . . A 109 LEU CD2 . 34921 1 1073 . 1 . 1 109 109 LEU N N 15 128.401 0.000 . 1 . . . . A 109 LEU N . 34921 1 1074 . 1 . 1 110 110 TRP H H 1 7.724 0.000 . 1 . . . . A 110 TRP H . 34921 1 1075 . 1 . 1 110 110 TRP HA H 1 3.842 0.000 . 1 . . . . A 110 TRP HA . 34921 1 1076 . 1 . 1 110 110 TRP HB2 H 1 2.345 0.000 . 2 . . . . A 110 TRP HB2 . 34921 1 1077 . 1 . 1 110 110 TRP HB3 H 1 3.183 0.000 . 2 . . . . A 110 TRP HB3 . 34921 1 1078 . 1 . 1 110 110 TRP HD1 H 1 6.820 0.000 . 1 . . . . A 110 TRP HD1 . 34921 1 1079 . 1 . 1 110 110 TRP HE1 H 1 9.704 0.000 . 1 . . . . A 110 TRP HE1 . 34921 1 1080 . 1 . 1 110 110 TRP HE3 H 1 6.745 0.000 . 1 . . . . A 110 TRP HE3 . 34921 1 1081 . 1 . 1 110 110 TRP HZ2 H 1 7.327 0.000 . 1 . . . . A 110 TRP HZ2 . 34921 1 1082 . 1 . 1 110 110 TRP HZ3 H 1 6.517 0.000 . 1 . . . . A 110 TRP HZ3 . 34921 1 1083 . 1 . 1 110 110 TRP HH2 H 1 6.907 0.000 . 1 . . . . A 110 TRP HH2 . 34921 1 1084 . 1 . 1 110 110 TRP C C 13 176.699 0.000 . 1 . . . . A 110 TRP C . 34921 1 1085 . 1 . 1 110 110 TRP CA C 13 57.803 0.000 . 1 . . . . A 110 TRP CA . 34921 1 1086 . 1 . 1 110 110 TRP CB C 13 28.758 0.000 . 1 . . . . A 110 TRP CB . 34921 1 1087 . 1 . 1 110 110 TRP CD1 C 13 126.835 0.000 . 1 . . . . A 110 TRP CD1 . 34921 1 1088 . 1 . 1 110 110 TRP CE3 C 13 124.232 0.000 . 1 . . . . A 110 TRP CE3 . 34921 1 1089 . 1 . 1 110 110 TRP CZ2 C 13 113.523 0.000 . 1 . . . . A 110 TRP CZ2 . 34921 1 1090 . 1 . 1 110 110 TRP CZ3 C 13 120.689 0.000 . 1 . . . . A 110 TRP CZ3 . 34921 1 1091 . 1 . 1 110 110 TRP CH2 C 13 124.477 0.000 . 1 . . . . A 110 TRP CH2 . 34921 1 1092 . 1 . 1 110 110 TRP N N 15 127.950 0.000 . 1 . . . . A 110 TRP N . 34921 1 1093 . 1 . 1 110 110 TRP NE1 N 15 128.836 0.000 . 1 . . . . A 110 TRP NE1 . 34921 1 1094 . 1 . 1 111 111 ILE H H 1 7.315 0.003 . 1 . . . . A 111 ILE H . 34921 1 1095 . 1 . 1 111 111 ILE HA H 1 4.682 0.003 . 1 . . . . A 111 ILE HA . 34921 1 1096 . 1 . 1 111 111 ILE HB H 1 1.775 0.003 . 1 . . . . A 111 ILE HB . 34921 1 1097 . 1 . 1 111 111 ILE HG12 H 1 0.987 0.001 . 2 . . . . A 111 ILE HG12 . 34921 1 1098 . 1 . 1 111 111 ILE HG21 H 1 0.795 0.003 . 1 . . . . A 111 ILE HG21 . 34921 1 1099 . 1 . 1 111 111 ILE HG22 H 1 0.795 0.003 . 1 . . . . A 111 ILE HG22 . 34921 1 1100 . 1 . 1 111 111 ILE HG23 H 1 0.795 0.003 . 1 . . . . A 111 ILE HG23 . 34921 1 1101 . 1 . 1 111 111 ILE HD11 H 1 0.498 0.002 . 1 . . . . A 111 ILE HD11 . 34921 1 1102 . 1 . 1 111 111 ILE HD12 H 1 0.498 0.002 . 1 . . . . A 111 ILE HD12 . 34921 1 1103 . 1 . 1 111 111 ILE HD13 H 1 0.498 0.002 . 1 . . . . A 111 ILE HD13 . 34921 1 1104 . 1 . 1 111 111 ILE C C 13 175.726 0.000 . 1 . . . . A 111 ILE C . 34921 1 1105 . 1 . 1 111 111 ILE CA C 13 58.579 0.074 . 1 . . . . A 111 ILE CA . 34921 1 1106 . 1 . 1 111 111 ILE CB C 13 42.265 0.095 . 1 . . . . A 111 ILE CB . 34921 1 1107 . 1 . 1 111 111 ILE CG1 C 13 26.050 0.000 . 1 . . . . A 111 ILE CG1 . 34921 1 1108 . 1 . 1 111 111 ILE CG2 C 13 17.860 0.000 . 1 . . . . A 111 ILE CG2 . 34921 1 1109 . 1 . 1 111 111 ILE CD1 C 13 14.830 0.066 . 1 . . . . A 111 ILE CD1 . 34921 1 1110 . 1 . 1 111 111 ILE N N 15 120.564 0.019 . 1 . . . . A 111 ILE N . 34921 1 1111 . 1 . 1 113 113 ARG H H 1 6.030 0.004 . 1 . . . . A 113 ARG H . 34921 1 1112 . 1 . 1 113 113 ARG HA H 1 3.924 0.005 . 1 . . . . A 113 ARG HA . 34921 1 1113 . 1 . 1 113 113 ARG HB2 H 1 1.671 0.002 . 2 . . . . A 113 ARG HB2 . 34921 1 1114 . 1 . 1 113 113 ARG HB3 H 1 0.732 0.013 . 2 . . . . A 113 ARG HB3 . 34921 1 1115 . 1 . 1 113 113 ARG HG2 H 1 1.288 0.002 . 2 . . . . A 113 ARG HG2 . 34921 1 1116 . 1 . 1 113 113 ARG HD2 H 1 3.064 0.005 . 2 . . . . A 113 ARG HD2 . 34921 1 1117 . 1 . 1 113 113 ARG HD3 H 1 3.128 0.014 . 2 . . . . A 113 ARG HD3 . 34921 1 1118 . 1 . 1 113 113 ARG C C 13 176.651 0.016 . 1 . . . . A 113 ARG C . 34921 1 1119 . 1 . 1 113 113 ARG CA C 13 57.015 0.146 . 1 . . . . A 113 ARG CA . 34921 1 1120 . 1 . 1 113 113 ARG CB C 13 30.385 0.068 . 1 . . . . A 113 ARG CB . 34921 1 1121 . 1 . 1 113 113 ARG CG C 13 27.676 0.098 . 1 . . . . A 113 ARG CG . 34921 1 1122 . 1 . 1 113 113 ARG CD C 13 42.861 0.000 . 1 . . . . A 113 ARG CD . 34921 1 1123 . 1 . 1 113 113 ARG N N 15 116.630 0.033 . 1 . . . . A 113 ARG N . 34921 1 1124 . 1 . 1 114 114 GLY H H 1 7.967 0.000 . 1 . . . . A 114 GLY H . 34921 1 1125 . 1 . 1 114 114 GLY HA2 H 1 3.414 0.000 . 2 . . . . A 114 GLY HA2 . 34921 1 1126 . 1 . 1 114 114 GLY HA3 H 1 4.056 0.000 . 2 . . . . A 114 GLY HA3 . 34921 1 1127 . 1 . 1 114 114 GLY C C 13 179.781 0.000 . 1 . . . . A 114 GLY C . 34921 1 1128 . 1 . 1 114 114 GLY CA C 13 46.196 0.000 . 1 . . . . A 114 GLY CA . 34921 1 1129 . 1 . 1 114 114 GLY N N 15 105.346 0.000 . 1 . . . . A 114 GLY N . 34921 1 1130 . 1 . 1 115 115 TYR H H 1 5.763 0.000 . 1 . . . . A 115 TYR H . 34921 1 1131 . 1 . 1 115 115 TYR HA H 1 4.337 0.000 . 1 . . . . A 115 TYR HA . 34921 1 1132 . 1 . 1 115 115 TYR HB2 H 1 3.279 0.000 . 2 . . . . A 115 TYR HB2 . 34921 1 1133 . 1 . 1 115 115 TYR HB3 H 1 3.338 0.000 . 2 . . . . A 115 TYR HB3 . 34921 1 1134 . 1 . 1 115 115 TYR HD1 H 1 6.676 0.000 . 1 . . . . A 115 TYR HD1 . 34921 1 1135 . 1 . 1 115 115 TYR HD2 H 1 6.680 0.000 . 1 . . . . A 115 TYR HD2 . 34921 1 1136 . 1 . 1 115 115 TYR HE1 H 1 6.539 0.000 . 1 . . . . A 115 TYR HE1 . 34921 1 1137 . 1 . 1 115 115 TYR HE2 H 1 6.543 0.000 . 1 . . . . A 115 TYR HE2 . 34921 1 1138 . 1 . 1 115 115 TYR C C 13 179.235 0.000 . 1 . . . . A 115 TYR C . 34921 1 1139 . 1 . 1 115 115 TYR CA C 13 55.648 0.000 . 1 . . . . A 115 TYR CA . 34921 1 1140 . 1 . 1 115 115 TYR CB C 13 38.650 0.000 . 1 . . . . A 115 TYR CB . 34921 1 1141 . 1 . 1 115 115 TYR CD1 C 13 133.509 0.000 . 1 . . . . A 115 TYR CD1 . 34921 1 1142 . 1 . 1 115 115 TYR CE1 C 13 117.880 0.000 . 1 . . . . A 115 TYR CE1 . 34921 1 1143 . 1 . 1 115 115 TYR N N 15 113.879 0.000 . 1 . . . . A 115 TYR N . 34921 1 1144 . 1 . 1 116 116 TYR H H 1 9.372 0.000 . 1 . . . . A 116 TYR H . 34921 1 1145 . 1 . 1 116 116 TYR HA H 1 5.135 0.000 . 1 . . . . A 116 TYR HA . 34921 1 1146 . 1 . 1 116 116 TYR HB2 H 1 2.736 0.000 . 2 . . . . A 116 TYR HB2 . 34921 1 1147 . 1 . 1 116 116 TYR HB3 H 1 2.888 0.000 . 2 . . . . A 116 TYR HB3 . 34921 1 1148 . 1 . 1 116 116 TYR HD1 H 1 6.533 0.000 . 1 . . . . A 116 TYR HD1 . 34921 1 1149 . 1 . 1 116 116 TYR HE1 H 1 6.755 0.000 . 1 . . . . A 116 TYR HE1 . 34921 1 1150 . 1 . 1 116 116 TYR HE2 H 1 6.766 0.000 . 1 . . . . A 116 TYR HE2 . 34921 1 1151 . 1 . 1 116 116 TYR C C 13 175.760 0.000 . 1 . . . . A 116 TYR C . 34921 1 1152 . 1 . 1 116 116 TYR CA C 13 59.379 0.000 . 1 . . . . A 116 TYR CA . 34921 1 1153 . 1 . 1 116 116 TYR CB C 13 42.004 0.000 . 1 . . . . A 116 TYR CB . 34921 1 1154 . 1 . 1 116 116 TYR CE1 C 13 120.649 0.000 . 1 . . . . A 116 TYR CE1 . 34921 1 1155 . 1 . 1 116 116 TYR N N 15 116.618 0.000 . 1 . . . . A 116 TYR N . 34921 1 1156 . 1 . 1 117 117 ILE H H 1 8.804 0.000 . 1 . . . . A 117 ILE H . 34921 1 1157 . 1 . 1 117 117 ILE HA H 1 4.942 0.000 . 1 . . . . A 117 ILE HA . 34921 1 1158 . 1 . 1 117 117 ILE HB H 1 1.927 0.000 . 1 . . . . A 117 ILE HB . 34921 1 1159 . 1 . 1 117 117 ILE HG12 H 1 1.255 0.000 . 2 . . . . A 117 ILE HG12 . 34921 1 1160 . 1 . 1 117 117 ILE HG13 H 1 1.258 0.000 . 2 . . . . A 117 ILE HG13 . 34921 1 1161 . 1 . 1 117 117 ILE HG21 H 1 0.978 0.000 . 1 . . . . A 117 ILE HG21 . 34921 1 1162 . 1 . 1 117 117 ILE HG22 H 1 0.978 0.000 . 1 . . . . A 117 ILE HG22 . 34921 1 1163 . 1 . 1 117 117 ILE HG23 H 1 0.978 0.000 . 1 . . . . A 117 ILE HG23 . 34921 1 1164 . 1 . 1 117 117 ILE HD11 H 1 0.978 0.000 . 1 . . . . A 117 ILE HD11 . 34921 1 1165 . 1 . 1 117 117 ILE HD12 H 1 0.978 0.000 . 1 . . . . A 117 ILE HD12 . 34921 1 1166 . 1 . 1 117 117 ILE HD13 H 1 0.978 0.000 . 1 . . . . A 117 ILE HD13 . 34921 1 1167 . 1 . 1 117 117 ILE C C 13 179.295 0.000 . 1 . . . . A 117 ILE C . 34921 1 1168 . 1 . 1 117 117 ILE CA C 13 59.967 0.000 . 1 . . . . A 117 ILE CA . 34921 1 1169 . 1 . 1 117 117 ILE CB C 13 41.872 0.000 . 1 . . . . A 117 ILE CB . 34921 1 1170 . 1 . 1 117 117 ILE CG1 C 13 24.898 0.000 . 1 . . . . A 117 ILE CG1 . 34921 1 1171 . 1 . 1 117 117 ILE CG2 C 13 18.959 0.000 . 1 . . . . A 117 ILE CG2 . 34921 1 1172 . 1 . 1 117 117 ILE CD1 C 13 18.968 0.000 . 1 . . . . A 117 ILE CD1 . 34921 1 1173 . 1 . 1 117 117 ILE N N 15 115.705 0.000 . 1 . . . . A 117 ILE N . 34921 1 1174 . 1 . 1 118 118 CYS H H 1 9.615 0.000 . 1 . . . . A 118 CYS H . 34921 1 1175 . 1 . 1 118 118 CYS HA H 1 5.691 0.000 . 1 . . . . A 118 CYS HA . 34921 1 1176 . 1 . 1 118 118 CYS HB2 H 1 2.549 0.000 . 2 . . . . A 118 CYS HB2 . 34921 1 1177 . 1 . 1 118 118 CYS HB3 H 1 2.824 0.000 . 2 . . . . A 118 CYS HB3 . 34921 1 1178 . 1 . 1 118 118 CYS C C 13 178.363 0.000 . 1 . . . . A 118 CYS C . 34921 1 1179 . 1 . 1 118 118 CYS CA C 13 54.434 0.000 . 1 . . . . A 118 CYS CA . 34921 1 1180 . 1 . 1 118 118 CYS CB C 13 39.181 0.000 . 1 . . . . A 118 CYS CB . 34921 1 1181 . 1 . 1 118 118 CYS N N 15 122.145 0.000 . 1 . . . . A 118 CYS N . 34921 1 1182 . 1 . 1 119 119 ILE H H 1 9.553 0.000 . 1 . . . . A 119 ILE H . 34921 1 1183 . 1 . 1 119 119 ILE HA H 1 4.694 0.000 . 1 . . . . A 119 ILE HA . 34921 1 1184 . 1 . 1 119 119 ILE HB H 1 1.641 0.000 . 1 . . . . A 119 ILE HB . 34921 1 1185 . 1 . 1 119 119 ILE HG12 H 1 1.568 0.000 . 2 . . . . A 119 ILE HG12 . 34921 1 1186 . 1 . 1 119 119 ILE HG13 H 1 1.629 0.000 . 2 . . . . A 119 ILE HG13 . 34921 1 1187 . 1 . 1 119 119 ILE HG21 H 1 0.830 0.000 . 1 . . . . A 119 ILE HG21 . 34921 1 1188 . 1 . 1 119 119 ILE HG22 H 1 0.830 0.000 . 1 . . . . A 119 ILE HG22 . 34921 1 1189 . 1 . 1 119 119 ILE HG23 H 1 0.830 0.000 . 1 . . . . A 119 ILE HG23 . 34921 1 1190 . 1 . 1 119 119 ILE HD11 H 1 0.866 0.000 . 1 . . . . A 119 ILE HD11 . 34921 1 1191 . 1 . 1 119 119 ILE HD12 H 1 0.866 0.000 . 1 . . . . A 119 ILE HD12 . 34921 1 1192 . 1 . 1 119 119 ILE HD13 H 1 0.866 0.000 . 1 . . . . A 119 ILE HD13 . 34921 1 1193 . 1 . 1 119 119 ILE C C 13 179.240 0.000 . 1 . . . . A 119 ILE C . 34921 1 1194 . 1 . 1 119 119 ILE CA C 13 59.345 0.000 . 1 . . . . A 119 ILE CA . 34921 1 1195 . 1 . 1 119 119 ILE CB C 13 43.586 0.000 . 1 . . . . A 119 ILE CB . 34921 1 1196 . 1 . 1 119 119 ILE CG1 C 13 28.230 0.000 . 1 . . . . A 119 ILE CG1 . 34921 1 1197 . 1 . 1 119 119 ILE CG2 C 13 16.765 0.000 . 1 . . . . A 119 ILE CG2 . 34921 1 1198 . 1 . 1 119 119 ILE CD1 C 13 14.051 0.000 . 1 . . . . A 119 ILE CD1 . 34921 1 1199 . 1 . 1 119 119 ILE N N 15 127.939 0.000 . 1 . . . . A 119 ILE N . 34921 1 1200 . 1 . 1 120 120 THR H H 1 8.052 0.000 . 1 . . . . A 120 THR H . 34921 1 1201 . 1 . 1 120 120 THR HA H 1 4.462 0.000 . 1 . . . . A 120 THR HA . 34921 1 1202 . 1 . 1 120 120 THR HB H 1 3.934 0.000 . 1 . . . . A 120 THR HB . 34921 1 1203 . 1 . 1 120 120 THR HG21 H 1 1.328 0.000 . 1 . . . . A 120 THR HG21 . 34921 1 1204 . 1 . 1 120 120 THR HG22 H 1 1.328 0.000 . 1 . . . . A 120 THR HG22 . 34921 1 1205 . 1 . 1 120 120 THR HG23 H 1 1.328 0.000 . 1 . . . . A 120 THR HG23 . 34921 1 1206 . 1 . 1 120 120 THR C C 13 180.258 0.000 . 1 . . . . A 120 THR C . 34921 1 1207 . 1 . 1 120 120 THR CA C 13 62.158 0.000 . 1 . . . . A 120 THR CA . 34921 1 1208 . 1 . 1 120 120 THR CB C 13 69.836 0.000 . 1 . . . . A 120 THR CB . 34921 1 1209 . 1 . 1 120 120 THR CG2 C 13 21.671 0.000 . 1 . . . . A 120 THR CG2 . 34921 1 1210 . 1 . 1 120 120 THR N N 15 123.700 0.000 . 1 . . . . A 120 THR N . 34921 1 1211 . 1 . 1 121 121 PRO HA H 1 4.390 0.000 . 1 . . . . A 121 PRO HA . 34921 1 1212 . 1 . 1 121 121 PRO HB2 H 1 2.012 0.000 . 2 . . . . A 121 PRO HB2 . 34921 1 1213 . 1 . 1 121 121 PRO HB3 H 1 2.283 0.000 . 2 . . . . A 121 PRO HB3 . 34921 1 1214 . 1 . 1 121 121 PRO HG2 H 1 2.015 0.000 . 2 . . . . A 121 PRO HG2 . 34921 1 1215 . 1 . 1 121 121 PRO HG3 H 1 2.177 0.000 . 2 . . . . A 121 PRO HG3 . 34921 1 1216 . 1 . 1 121 121 PRO HD2 H 1 3.929 0.000 . 2 . . . . A 121 PRO HD2 . 34921 1 1217 . 1 . 1 121 121 PRO HD3 H 1 3.932 0.000 . 2 . . . . A 121 PRO HD3 . 34921 1 1218 . 1 . 1 121 121 PRO CA C 13 61.571 0.000 . 1 . . . . A 121 PRO CA . 34921 1 1219 . 1 . 1 121 121 PRO CB C 13 31.523 0.000 . 1 . . . . A 121 PRO CB . 34921 1 1220 . 1 . 1 121 121 PRO CG C 13 27.717 0.000 . 1 . . . . A 121 PRO CG . 34921 1 1221 . 1 . 1 121 121 PRO CD C 13 51.200 0.000 . 1 . . . . A 121 PRO CD . 34921 1 1222 . 1 . 1 122 122 PRO HA H 1 4.371 0.000 . 1 . . . . A 122 PRO HA . 34921 1 1223 . 1 . 1 122 122 PRO HB2 H 1 1.652 0.000 . 2 . . . . A 122 PRO HB2 . 34921 1 1224 . 1 . 1 122 122 PRO HB3 H 1 2.138 0.000 . 2 . . . . A 122 PRO HB3 . 34921 1 1225 . 1 . 1 122 122 PRO HG2 H 1 1.650 0.000 . 2 . . . . A 122 PRO HG2 . 34921 1 1226 . 1 . 1 122 122 PRO HG3 H 1 1.779 0.000 . 2 . . . . A 122 PRO HG3 . 34921 1 1227 . 1 . 1 122 122 PRO HD2 H 1 3.717 0.000 . 2 . . . . A 122 PRO HD2 . 34921 1 1228 . 1 . 1 122 122 PRO HD3 H 1 3.857 0.000 . 2 . . . . A 122 PRO HD3 . 34921 1 1229 . 1 . 1 122 122 PRO C C 13 176.025 0.000 . 1 . . . . A 122 PRO C . 34921 1 1230 . 1 . 1 122 122 PRO CA C 13 63.097 0.000 . 1 . . . . A 122 PRO CA . 34921 1 1231 . 1 . 1 122 122 PRO CB C 13 32.246 0.000 . 1 . . . . A 122 PRO CB . 34921 1 1232 . 1 . 1 122 122 PRO CG C 13 27.161 0.000 . 1 . . . . A 122 PRO CG . 34921 1 1233 . 1 . 1 122 122 PRO CD C 13 51.198 0.000 . 1 . . . . A 122 PRO CD . 34921 1 1234 . 1 . 1 123 123 GLN H H 1 8.270 0.002 . 1 . . . . A 123 GLN H . 34921 1 1235 . 1 . 1 123 123 GLN HA H 1 4.669 0.004 . 1 . . . . A 123 GLN HA . 34921 1 1236 . 1 . 1 123 123 GLN HB2 H 1 1.920 0.003 . 2 . . . . A 123 GLN HB2 . 34921 1 1237 . 1 . 1 123 123 GLN HB3 H 1 2.122 0.000 . 2 . . . . A 123 GLN HB3 . 34921 1 1238 . 1 . 1 123 123 GLN HG2 H 1 2.393 0.000 . 2 . . . . A 123 GLN HG2 . 34921 1 1239 . 1 . 1 123 123 GLN C C 13 179.233 0.000 . 1 . . . . A 123 GLN C . 34921 1 1240 . 1 . 1 123 123 GLN CA C 13 53.105 0.133 . 1 . . . . A 123 GLN CA . 34921 1 1241 . 1 . 1 123 123 GLN CB C 13 29.459 0.129 . 1 . . . . A 123 GLN CB . 34921 1 1242 . 1 . 1 123 123 GLN CG C 13 33.699 0.000 . 1 . . . . A 123 GLN CG . 34921 1 1243 . 1 . 1 123 123 GLN N N 15 121.843 0.016 . 1 . . . . A 123 GLN N . 34921 1 1244 . 1 . 1 124 124 PRO HA H 1 4.663 0.000 . 1 . . . . A 124 PRO HA . 34921 1 1245 . 1 . 1 124 124 PRO HB2 H 1 2.391 0.000 . 2 . . . . A 124 PRO HB2 . 34921 1 1246 . 1 . 1 124 124 PRO HB3 H 1 2.392 0.000 . 2 . . . . A 124 PRO HB3 . 34921 1 1247 . 1 . 1 124 124 PRO HG2 H 1 1.914 0.000 . 2 . . . . A 124 PRO HG2 . 34921 1 1248 . 1 . 1 124 124 PRO HG3 H 1 2.123 0.000 . 2 . . . . A 124 PRO HG3 . 34921 1 1249 . 1 . 1 124 124 PRO HD2 H 1 3.684 0.000 . 2 . . . . A 124 PRO HD2 . 34921 1 1250 . 1 . 1 124 124 PRO HD3 H 1 4.759 0.000 . 2 . . . . A 124 PRO HD3 . 34921 1 1251 . 1 . 1 124 124 PRO CB C 13 33.700 0.000 . 1 . . . . A 124 PRO CB . 34921 1 1252 . 1 . 1 124 124 PRO CG C 13 29.343 0.000 . 1 . . . . A 124 PRO CG . 34921 1 1253 . 1 . 1 124 124 PRO CD C 13 50.588 0.000 . 1 . . . . A 124 PRO CD . 34921 1 stop_ save_