data_34585 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34585 _Entry.Title ; Solution Structure of RoxP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-19 _Entry.Accession_date 2020-12-19 _Entry.Last_release_date 2021-03-19 _Entry.Original_release_date 2021-03-19 _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 K. Stoedkilde K. . . . 34585 2 J. Nielsen J. T. . . 34585 3 F. Mulder F. A.A. . . 34585 4 C. Andersen C. B.F. . . 34585 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Antioxidant . 34585 I2-set . 34585 Ig-like . 34585 'UNKNOWN FUNCTION' . 34585 reductase . 34585 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34585 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 573 34585 '15N chemical shifts' 138 34585 '1H chemical shifts' 902 34585 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-03-24 2020-12-19 update BMRB 'update entry citation' 34585 1 . . 2021-11-19 2020-12-19 original author 'original release' 34585 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7BCJ 'BMRB Entry Tracking System' 34585 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34585 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35223541 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution Structure of the Cutibacterium acnes-Specific Protein RoxP and Insights Into Its Antioxidant Activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Cell Infect. Microbiol.' _Citation.Journal_name_full 'Frontiers in cellular and infection microbiology' _Citation.Journal_volume 12 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2235-2988 _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 803004 _Citation.Page_last 803004 _Citation.Year 2022 _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 K. Stoedkilde K. . . . 34585 1 2 J. Nielsen J. T. . . 34585 1 3 S. Petersen S. V. . . 34585 1 4 B. Paetzold B. . . . 34585 1 5 H. Brueggemann H. . . . 34585 1 6 F. Mulder F. A.A. . . 34585 1 7 C. Andersen C. B.F. . . 34585 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34585 _Assembly.ID 1 _Assembly.Name 'Radical Oxygenase of Propionibacterium acnes' _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 . . . . . . 34585 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34585 _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 ; MTPIDESQLPVGPQVSVTDS AQHTGPFAASSPLTITVKPG APCVRADGYQESMVTRVLDD KGHQVWTGTFDESKLIGGTG LGTATFHVGSPAAAFNFHGS ERTTYRTLSYCAYPHYVNGT RERLSQVSVKTFMVDPALNL EHHHHHH ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15977.760 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34585 1 2 . THR . 34585 1 3 . PRO . 34585 1 4 . ILE . 34585 1 5 . ASP . 34585 1 6 . GLU . 34585 1 7 . SER . 34585 1 8 . GLN . 34585 1 9 . LEU . 34585 1 10 . PRO . 34585 1 11 . VAL . 34585 1 12 . GLY . 34585 1 13 . PRO . 34585 1 14 . GLN . 34585 1 15 . VAL . 34585 1 16 . SER . 34585 1 17 . VAL . 34585 1 18 . THR . 34585 1 19 . ASP . 34585 1 20 . SER . 34585 1 21 . ALA . 34585 1 22 . GLN . 34585 1 23 . HIS . 34585 1 24 . THR . 34585 1 25 . GLY . 34585 1 26 . PRO . 34585 1 27 . PHE . 34585 1 28 . ALA . 34585 1 29 . ALA . 34585 1 30 . SER . 34585 1 31 . SER . 34585 1 32 . PRO . 34585 1 33 . LEU . 34585 1 34 . THR . 34585 1 35 . ILE . 34585 1 36 . THR . 34585 1 37 . VAL . 34585 1 38 . LYS . 34585 1 39 . PRO . 34585 1 40 . GLY . 34585 1 41 . ALA . 34585 1 42 . PRO . 34585 1 43 . CYS . 34585 1 44 . VAL . 34585 1 45 . ARG . 34585 1 46 . ALA . 34585 1 47 . ASP . 34585 1 48 . GLY . 34585 1 49 . TYR . 34585 1 50 . GLN . 34585 1 51 . GLU . 34585 1 52 . SER . 34585 1 53 . MET . 34585 1 54 . VAL . 34585 1 55 . THR . 34585 1 56 . ARG . 34585 1 57 . VAL . 34585 1 58 . LEU . 34585 1 59 . ASP . 34585 1 60 . ASP . 34585 1 61 . LYS . 34585 1 62 . GLY . 34585 1 63 . HIS . 34585 1 64 . GLN . 34585 1 65 . VAL . 34585 1 66 . TRP . 34585 1 67 . THR . 34585 1 68 . GLY . 34585 1 69 . THR . 34585 1 70 . PHE . 34585 1 71 . ASP . 34585 1 72 . GLU . 34585 1 73 . SER . 34585 1 74 . LYS . 34585 1 75 . LEU . 34585 1 76 . ILE . 34585 1 77 . GLY . 34585 1 78 . GLY . 34585 1 79 . THR . 34585 1 80 . GLY . 34585 1 81 . LEU . 34585 1 82 . GLY . 34585 1 83 . THR . 34585 1 84 . ALA . 34585 1 85 . THR . 34585 1 86 . PHE . 34585 1 87 . HIS . 34585 1 88 . VAL . 34585 1 89 . GLY . 34585 1 90 . SER . 34585 1 91 . PRO . 34585 1 92 . ALA . 34585 1 93 . ALA . 34585 1 94 . ALA . 34585 1 95 . PHE . 34585 1 96 . ASN . 34585 1 97 . PHE . 34585 1 98 . HIS . 34585 1 99 . GLY . 34585 1 100 . SER . 34585 1 101 . GLU . 34585 1 102 . ARG . 34585 1 103 . THR . 34585 1 104 . THR . 34585 1 105 . TYR . 34585 1 106 . ARG . 34585 1 107 . THR . 34585 1 108 . LEU . 34585 1 109 . SER . 34585 1 110 . TYR . 34585 1 111 . CYS . 34585 1 112 . ALA . 34585 1 113 . TYR . 34585 1 114 . PRO . 34585 1 115 . HIS . 34585 1 116 . TYR . 34585 1 117 . VAL . 34585 1 118 . ASN . 34585 1 119 . GLY . 34585 1 120 . THR . 34585 1 121 . ARG . 34585 1 122 . GLU . 34585 1 123 . ARG . 34585 1 124 . LEU . 34585 1 125 . SER . 34585 1 126 . GLN . 34585 1 127 . VAL . 34585 1 128 . SER . 34585 1 129 . VAL . 34585 1 130 . LYS . 34585 1 131 . THR . 34585 1 132 . PHE . 34585 1 133 . MET . 34585 1 134 . VAL . 34585 1 135 . ASP . 34585 1 136 . PRO . 34585 1 137 . ALA . 34585 1 138 . LEU . 34585 1 139 . ASN . 34585 1 140 . LEU . 34585 1 141 . GLU . 34585 1 142 . HIS . 34585 1 143 . HIS . 34585 1 144 . HIS . 34585 1 145 . HIS . 34585 1 146 . HIS . 34585 1 147 . HIS . 34585 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34585 1 . THR 2 2 34585 1 . PRO 3 3 34585 1 . ILE 4 4 34585 1 . ASP 5 5 34585 1 . GLU 6 6 34585 1 . SER 7 7 34585 1 . GLN 8 8 34585 1 . LEU 9 9 34585 1 . PRO 10 10 34585 1 . VAL 11 11 34585 1 . GLY 12 12 34585 1 . PRO 13 13 34585 1 . GLN 14 14 34585 1 . VAL 15 15 34585 1 . SER 16 16 34585 1 . VAL 17 17 34585 1 . THR 18 18 34585 1 . ASP 19 19 34585 1 . SER 20 20 34585 1 . ALA 21 21 34585 1 . GLN 22 22 34585 1 . HIS 23 23 34585 1 . THR 24 24 34585 1 . GLY 25 25 34585 1 . PRO 26 26 34585 1 . PHE 27 27 34585 1 . ALA 28 28 34585 1 . ALA 29 29 34585 1 . SER 30 30 34585 1 . SER 31 31 34585 1 . PRO 32 32 34585 1 . LEU 33 33 34585 1 . THR 34 34 34585 1 . ILE 35 35 34585 1 . THR 36 36 34585 1 . VAL 37 37 34585 1 . LYS 38 38 34585 1 . PRO 39 39 34585 1 . GLY 40 40 34585 1 . ALA 41 41 34585 1 . PRO 42 42 34585 1 . CYS 43 43 34585 1 . VAL 44 44 34585 1 . ARG 45 45 34585 1 . ALA 46 46 34585 1 . ASP 47 47 34585 1 . GLY 48 48 34585 1 . TYR 49 49 34585 1 . GLN 50 50 34585 1 . GLU 51 51 34585 1 . SER 52 52 34585 1 . MET 53 53 34585 1 . VAL 54 54 34585 1 . THR 55 55 34585 1 . ARG 56 56 34585 1 . VAL 57 57 34585 1 . LEU 58 58 34585 1 . ASP 59 59 34585 1 . ASP 60 60 34585 1 . LYS 61 61 34585 1 . GLY 62 62 34585 1 . HIS 63 63 34585 1 . GLN 64 64 34585 1 . VAL 65 65 34585 1 . TRP 66 66 34585 1 . THR 67 67 34585 1 . GLY 68 68 34585 1 . THR 69 69 34585 1 . PHE 70 70 34585 1 . ASP 71 71 34585 1 . GLU 72 72 34585 1 . SER 73 73 34585 1 . LYS 74 74 34585 1 . LEU 75 75 34585 1 . ILE 76 76 34585 1 . GLY 77 77 34585 1 . GLY 78 78 34585 1 . THR 79 79 34585 1 . GLY 80 80 34585 1 . LEU 81 81 34585 1 . GLY 82 82 34585 1 . THR 83 83 34585 1 . ALA 84 84 34585 1 . THR 85 85 34585 1 . PHE 86 86 34585 1 . HIS 87 87 34585 1 . VAL 88 88 34585 1 . GLY 89 89 34585 1 . SER 90 90 34585 1 . PRO 91 91 34585 1 . ALA 92 92 34585 1 . ALA 93 93 34585 1 . ALA 94 94 34585 1 . PHE 95 95 34585 1 . ASN 96 96 34585 1 . PHE 97 97 34585 1 . HIS 98 98 34585 1 . GLY 99 99 34585 1 . SER 100 100 34585 1 . GLU 101 101 34585 1 . ARG 102 102 34585 1 . THR 103 103 34585 1 . THR 104 104 34585 1 . TYR 105 105 34585 1 . ARG 106 106 34585 1 . THR 107 107 34585 1 . LEU 108 108 34585 1 . SER 109 109 34585 1 . TYR 110 110 34585 1 . CYS 111 111 34585 1 . ALA 112 112 34585 1 . TYR 113 113 34585 1 . PRO 114 114 34585 1 . HIS 115 115 34585 1 . TYR 116 116 34585 1 . VAL 117 117 34585 1 . ASN 118 118 34585 1 . GLY 119 119 34585 1 . THR 120 120 34585 1 . ARG 121 121 34585 1 . GLU 122 122 34585 1 . ARG 123 123 34585 1 . LEU 124 124 34585 1 . SER 125 125 34585 1 . GLN 126 126 34585 1 . VAL 127 127 34585 1 . SER 128 128 34585 1 . VAL 129 129 34585 1 . LYS 130 130 34585 1 . THR 131 131 34585 1 . PHE 132 132 34585 1 . MET 133 133 34585 1 . VAL 134 134 34585 1 . ASP 135 135 34585 1 . PRO 136 136 34585 1 . ALA 137 137 34585 1 . LEU 138 138 34585 1 . ASN 139 139 34585 1 . LEU 140 140 34585 1 . GLU 141 141 34585 1 . HIS 142 142 34585 1 . HIS 143 143 34585 1 . HIS 144 144 34585 1 . HIS 145 145 34585 1 . HIS 146 146 34585 1 . HIS 147 147 34585 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 34585 _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 . 267747 . . 'Cutibacterium acnes (strain DSM 16379 / KPA171202)' 'Cutibacterium acnes' . . Bacteria . Cutibacterium acnes 'DSM 16379 / KPA171202' . . . . . . . . . . 'PPA1939, cbac_10500' . 34585 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 34585 _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 BL21(DE3)' . . 469008 . . . . . Plasmid . . pET22b . . . 34585 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34585 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-98% 13C; U-98% 15N] RoxP, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 RoxP '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 34585 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 34585 _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' 0 . M 34585 1 pH 5.8 . pH 34585 1 pressure 1 . atm 34585 1 temperature 298 . K 34585 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34585 _Software.ID 1 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen Y, Bax A' . . 34585 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 34585 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34585 _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' . . 34585 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34585 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34585 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34585 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34585 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34585 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34585 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34585 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34585 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34585 _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 AM . 950 . . . 34585 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 34585 _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-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 4 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 5 '2D HBCBCGCDHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 6 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 12 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 1 14 '4D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34585 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 34585 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; DSS methyl group is referenced to 0.00ppm and used to reference all indirect dimensions via nmrPipe script for conversion of the Bruker data. ; 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 0.0 na indirect 0.25144953 . . . . . 34585 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 34585 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . 34585 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 34585 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 34585 1 2 '2D 1H-15N HSQC' . . . 34585 1 3 '3D HNCO' . . . 34585 1 4 '2D 1H-15N TROSY' . . . 34585 1 5 '2D HBCBCGCDHD' . . . 34585 1 6 '2D HBCBCGCDCEHE' . . . 34585 1 7 '3D HNCACB' . . . 34585 1 8 '3D H(CCO)NH' . . . 34585 1 9 '3D HN(CA)CO' . . . 34585 1 10 '3D C(CO)NH' . . . 34585 1 11 '3D HCCH-TOCSY' . . . 34585 1 12 '3D 15N-separated NOESY' . . . 34585 1 13 '3D 1H-13C NOESY aliphatic' . . . 34585 1 14 '4D 13C-separated NOESY' . . . 34585 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 1 1 MET HE1 H 1 2.080 0.020 . 1 . . . . A 23 MET HE1 . 34585 1 2 . 1 . 1 1 1 MET HE2 H 1 2.080 0.020 . 1 . . . . A 23 MET HE2 . 34585 1 3 . 1 . 1 1 1 MET HE3 H 1 2.080 0.020 . 1 . . . . A 23 MET HE3 . 34585 1 4 . 1 . 1 1 1 MET CE C 13 17.071 0.400 . 1 . . . . A 23 MET CE . 34585 1 5 . 1 . 1 2 2 THR H H 1 8.220 0.020 . 1 . . . . A 24 THR H . 34585 1 6 . 1 . 1 2 2 THR HA H 1 4.656 0.020 . 1 . . . . A 24 THR HA . 34585 1 7 . 1 . 1 2 2 THR HB H 1 4.153 0.020 . 1 . . . . A 24 THR HB . 34585 1 8 . 1 . 1 2 2 THR HG21 H 1 1.291 0.020 . 1 . . . . A 24 THR HG21 . 34585 1 9 . 1 . 1 2 2 THR HG22 H 1 1.291 0.020 . 1 . . . . A 24 THR HG22 . 34585 1 10 . 1 . 1 2 2 THR HG23 H 1 1.291 0.020 . 1 . . . . A 24 THR HG23 . 34585 1 11 . 1 . 1 2 2 THR CA C 13 60.347 0.400 . 1 . . . . A 24 THR CA . 34585 1 12 . 1 . 1 2 2 THR CB C 13 69.858 0.400 . 1 . . . . A 24 THR CB . 34585 1 13 . 1 . 1 2 2 THR CG2 C 13 21.730 0.400 . 1 . . . . A 24 THR CG2 . 34585 1 14 . 1 . 1 3 3 PRO HA H 1 4.428 0.020 . 1 . . . . A 25 PRO HA . 34585 1 15 . 1 . 1 3 3 PRO HB2 H 1 1.912 0.020 . 2 . . . . A 25 PRO HB2 . 34585 1 16 . 1 . 1 3 3 PRO HB3 H 1 2.309 0.020 . 2 . . . . A 25 PRO HB3 . 34585 1 17 . 1 . 1 3 3 PRO HG2 H 1 1.982 0.020 . 2 . . . . A 25 PRO HG2 . 34585 1 18 . 1 . 1 3 3 PRO HG3 H 1 2.061 0.020 . 2 . . . . A 25 PRO HG3 . 34585 1 19 . 1 . 1 3 3 PRO HD2 H 1 3.747 0.020 . 2 . . . . A 25 PRO HD2 . 34585 1 20 . 1 . 1 3 3 PRO HD3 H 1 3.889 0.020 . 2 . . . . A 25 PRO HD3 . 34585 1 21 . 1 . 1 3 3 PRO C C 13 176.850 0.400 . 1 . . . . A 25 PRO C . 34585 1 22 . 1 . 1 3 3 PRO CA C 13 63.101 0.400 . 1 . . . . A 25 PRO CA . 34585 1 23 . 1 . 1 3 3 PRO CB C 13 32.236 0.400 . 1 . . . . A 25 PRO CB . 34585 1 24 . 1 . 1 3 3 PRO CG C 13 27.503 0.400 . 1 . . . . A 25 PRO CG . 34585 1 25 . 1 . 1 3 3 PRO CD C 13 51.173 0.400 . 1 . . . . A 25 PRO CD . 34585 1 26 . 1 . 1 4 4 ILE H H 1 8.155 0.020 . 1 . . . . A 26 ILE H . 34585 1 27 . 1 . 1 4 4 ILE HA H 1 4.093 0.020 . 1 . . . . A 26 ILE HA . 34585 1 28 . 1 . 1 4 4 ILE HB H 1 1.800 0.020 . 1 . . . . A 26 ILE HB . 34585 1 29 . 1 . 1 4 4 ILE HG12 H 1 1.180 0.020 . 2 . . . . A 26 ILE HG12 . 34585 1 30 . 1 . 1 4 4 ILE HG13 H 1 1.455 0.020 . 2 . . . . A 26 ILE HG13 . 34585 1 31 . 1 . 1 4 4 ILE HG21 H 1 0.855 0.020 . 1 . . . . A 26 ILE HG21 . 34585 1 32 . 1 . 1 4 4 ILE HG22 H 1 0.855 0.020 . 1 . . . . A 26 ILE HG22 . 34585 1 33 . 1 . 1 4 4 ILE HG23 H 1 0.855 0.020 . 1 . . . . A 26 ILE HG23 . 34585 1 34 . 1 . 1 4 4 ILE HD11 H 1 0.851 0.020 . 1 . . . . A 26 ILE HD11 . 34585 1 35 . 1 . 1 4 4 ILE HD12 H 1 0.851 0.020 . 1 . . . . A 26 ILE HD12 . 34585 1 36 . 1 . 1 4 4 ILE HD13 H 1 0.851 0.020 . 1 . . . . A 26 ILE HD13 . 34585 1 37 . 1 . 1 4 4 ILE C C 13 175.836 0.400 . 1 . . . . A 26 ILE C . 34585 1 38 . 1 . 1 4 4 ILE CA C 13 61.303 0.400 . 1 . . . . A 26 ILE CA . 34585 1 39 . 1 . 1 4 4 ILE CB C 13 39.026 0.400 . 1 . . . . A 26 ILE CB . 34585 1 40 . 1 . 1 4 4 ILE CG1 C 13 27.620 0.400 . 1 . . . . A 26 ILE CG1 . 34585 1 41 . 1 . 1 4 4 ILE N N 15 120.727 0.400 . 1 . . . . A 26 ILE N . 34585 1 42 . 1 . 1 5 5 ASP H H 1 8.169 0.020 . 1 . . . . A 27 ASP H . 34585 1 43 . 1 . 1 5 5 ASP HA H 1 4.622 0.020 . 1 . . . . A 27 ASP HA . 34585 1 44 . 1 . 1 5 5 ASP HB2 H 1 2.642 0.020 . 2 . . . . A 27 ASP HB2 . 34585 1 45 . 1 . 1 5 5 ASP HB3 H 1 2.724 0.020 . 2 . . . . A 27 ASP HB3 . 34585 1 46 . 1 . 1 5 5 ASP C C 13 177.116 0.400 . 1 . . . . A 27 ASP C . 34585 1 47 . 1 . 1 5 5 ASP CA C 13 53.992 0.400 . 1 . . . . A 27 ASP CA . 34585 1 48 . 1 . 1 5 5 ASP CB C 13 41.446 0.400 . 1 . . . . A 27 ASP CB . 34585 1 49 . 1 . 1 5 5 ASP N N 15 124.084 0.400 . 1 . . . . A 27 ASP N . 34585 1 50 . 1 . 1 6 6 GLU H H 1 8.490 0.020 . 1 . . . . A 28 GLU H . 34585 1 51 . 1 . 1 6 6 GLU HA H 1 4.005 0.020 . 1 . . . . A 28 GLU HA . 34585 1 52 . 1 . 1 6 6 GLU HB2 H 1 1.949 0.020 . 2 . . . . A 28 GLU HB2 . 34585 1 53 . 1 . 1 6 6 GLU HB3 H 1 2.175 0.020 . 2 . . . . A 28 GLU HB3 . 34585 1 54 . 1 . 1 6 6 GLU HG2 H 1 2.330 0.020 . 2 . . . . A 28 GLU HG2 . 34585 1 55 . 1 . 1 6 6 GLU HG3 H 1 2.332 0.020 . 2 . . . . A 28 GLU HG3 . 34585 1 56 . 1 . 1 6 6 GLU C C 13 177.541 0.400 . 1 . . . . A 28 GLU C . 34585 1 57 . 1 . 1 6 6 GLU CA C 13 58.288 0.400 . 1 . . . . A 28 GLU CA . 34585 1 58 . 1 . 1 6 6 GLU CB C 13 29.795 0.400 . 1 . . . . A 28 GLU CB . 34585 1 59 . 1 . 1 6 6 GLU CG C 13 35.851 0.400 . 1 . . . . A 28 GLU CG . 34585 1 60 . 1 . 1 6 6 GLU N N 15 124.015 0.400 . 1 . . . . A 28 GLU N . 34585 1 61 . 1 . 1 7 7 SER H H 1 8.164 0.020 . 1 . . . . A 29 SER H . 34585 1 62 . 1 . 1 7 7 SER HA H 1 4.168 0.020 . 1 . . . . A 29 SER HA . 34585 1 63 . 1 . 1 7 7 SER HB2 H 1 3.968 0.020 . 2 . . . . A 29 SER HB2 . 34585 1 64 . 1 . 1 7 7 SER HB3 H 1 3.972 0.020 . 2 . . . . A 29 SER HB3 . 34585 1 65 . 1 . 1 7 7 SER C C 13 175.232 0.400 . 1 . . . . A 29 SER C . 34585 1 66 . 1 . 1 7 7 SER CA C 13 60.579 0.400 . 1 . . . . A 29 SER CA . 34585 1 67 . 1 . 1 7 7 SER CB C 13 63.162 0.400 . 1 . . . . A 29 SER CB . 34585 1 68 . 1 . 1 7 7 SER N N 15 112.124 0.400 . 1 . . . . A 29 SER N . 34585 1 69 . 1 . 1 8 8 GLN H H 1 7.804 0.020 . 1 . . . . A 30 GLN H . 34585 1 70 . 1 . 1 8 8 GLN HA H 1 4.340 0.020 . 1 . . . . A 30 GLN HA . 34585 1 71 . 1 . 1 8 8 GLN HB2 H 1 1.968 0.020 . 2 . . . . A 30 GLN HB2 . 34585 1 72 . 1 . 1 8 8 GLN HB3 H 1 2.290 0.020 . 2 . . . . A 30 GLN HB3 . 34585 1 73 . 1 . 1 8 8 GLN HG2 H 1 2.316 0.020 . 2 . . . . A 30 GLN HG2 . 34585 1 74 . 1 . 1 8 8 GLN HG3 H 1 2.345 0.020 . 2 . . . . A 30 GLN HG3 . 34585 1 75 . 1 . 1 8 8 GLN HE21 H 1 7.505 0.020 . 2 . . . . A 30 GLN HE21 . 34585 1 76 . 1 . 1 8 8 GLN HE22 H 1 6.798 0.020 . 2 . . . . A 30 GLN HE22 . 34585 1 77 . 1 . 1 8 8 GLN C C 13 176.416 0.400 . 1 . . . . A 30 GLN C . 34585 1 78 . 1 . 1 8 8 GLN CA C 13 55.396 0.400 . 1 . . . . A 30 GLN CA . 34585 1 79 . 1 . 1 8 8 GLN CB C 13 29.267 0.400 . 1 . . . . A 30 GLN CB . 34585 1 80 . 1 . 1 8 8 GLN CG C 13 34.052 0.400 . 1 . . . . A 30 GLN CG . 34585 1 81 . 1 . 1 8 8 GLN N N 15 118.913 0.400 . 1 . . . . A 30 GLN N . 34585 1 82 . 1 . 1 8 8 GLN NE2 N 15 112.595 0.400 . 1 . . . . A 30 GLN NE2 . 34585 1 83 . 1 . 1 9 9 LEU H H 1 7.615 0.020 . 1 . . . . A 31 LEU H . 34585 1 84 . 1 . 1 9 9 LEU HA H 1 4.608 0.020 . 1 . . . . A 31 LEU HA . 34585 1 85 . 1 . 1 9 9 LEU HB2 H 1 1.088 0.020 . 2 . . . . A 31 LEU HB2 . 34585 1 86 . 1 . 1 9 9 LEU HB3 H 1 1.875 0.020 . 2 . . . . A 31 LEU HB3 . 34585 1 87 . 1 . 1 9 9 LEU HG H 1 1.597 0.020 . 1 . . . . A 31 LEU HG . 34585 1 88 . 1 . 1 9 9 LEU HD11 H 1 0.739 0.020 . 2 . . . . A 31 LEU HD11 . 34585 1 89 . 1 . 1 9 9 LEU HD12 H 1 0.739 0.020 . 2 . . . . A 31 LEU HD12 . 34585 1 90 . 1 . 1 9 9 LEU HD13 H 1 0.739 0.020 . 2 . . . . A 31 LEU HD13 . 34585 1 91 . 1 . 1 9 9 LEU HD21 H 1 0.670 0.020 . 2 . . . . A 31 LEU HD21 . 34585 1 92 . 1 . 1 9 9 LEU HD22 H 1 0.670 0.020 . 2 . . . . A 31 LEU HD22 . 34585 1 93 . 1 . 1 9 9 LEU HD23 H 1 0.670 0.020 . 2 . . . . A 31 LEU HD23 . 34585 1 94 . 1 . 1 9 9 LEU C C 13 174.878 0.400 . 1 . . . . A 31 LEU C . 34585 1 95 . 1 . 1 9 9 LEU CA C 13 53.136 0.400 . 1 . . . . A 31 LEU CA . 34585 1 96 . 1 . 1 9 9 LEU CB C 13 42.941 0.400 . 1 . . . . A 31 LEU CB . 34585 1 97 . 1 . 1 9 9 LEU CG C 13 27.108 0.400 . 1 . . . . A 31 LEU CG . 34585 1 98 . 1 . 1 9 9 LEU CD1 C 13 23.165 0.400 . 2 . . . . A 31 LEU CD1 . 34585 1 99 . 1 . 1 9 9 LEU CD2 C 13 25.898 0.400 . 2 . . . . A 31 LEU CD2 . 34585 1 100 . 1 . 1 9 9 LEU N N 15 122.116 0.400 . 1 . . . . A 31 LEU N . 34585 1 101 . 1 . 1 10 10 PRO HA H 1 4.430 0.020 . 1 . . . . A 32 PRO HA . 34585 1 102 . 1 . 1 10 10 PRO HB2 H 1 1.829 0.020 . 2 . . . . A 32 PRO HB2 . 34585 1 103 . 1 . 1 10 10 PRO HB3 H 1 2.292 0.020 . 2 . . . . A 32 PRO HB3 . 34585 1 104 . 1 . 1 10 10 PRO HG2 H 1 2.070 0.020 . 2 . . . . A 32 PRO HG2 . 34585 1 105 . 1 . 1 10 10 PRO HG3 H 1 2.187 0.020 . 2 . . . . A 32 PRO HG3 . 34585 1 106 . 1 . 1 10 10 PRO HD2 H 1 3.751 0.020 . 2 . . . . A 32 PRO HD2 . 34585 1 107 . 1 . 1 10 10 PRO HD3 H 1 3.886 0.020 . 2 . . . . A 32 PRO HD3 . 34585 1 108 . 1 . 1 10 10 PRO C C 13 174.858 0.400 . 1 . . . . A 32 PRO C . 34585 1 109 . 1 . 1 10 10 PRO CA C 13 62.676 0.400 . 1 . . . . A 32 PRO CA . 34585 1 110 . 1 . 1 10 10 PRO CB C 13 32.689 0.400 . 1 . . . . A 32 PRO CB . 34585 1 111 . 1 . 1 10 10 PRO CG C 13 27.810 0.400 . 1 . . . . A 32 PRO CG . 34585 1 112 . 1 . 1 10 10 PRO CD C 13 50.959 0.400 . 1 . . . . A 32 PRO CD . 34585 1 113 . 1 . 1 11 11 VAL H H 1 7.902 0.020 . 1 . . . . A 33 VAL H . 34585 1 114 . 1 . 1 11 11 VAL HA H 1 3.765 0.020 . 1 . . . . A 33 VAL HA . 34585 1 115 . 1 . 1 11 11 VAL HB H 1 2.211 0.020 . 1 . . . . A 33 VAL HB . 34585 1 116 . 1 . 1 11 11 VAL HG11 H 1 1.009 0.020 . 2 . . . . A 33 VAL HG11 . 34585 1 117 . 1 . 1 11 11 VAL HG12 H 1 1.009 0.020 . 2 . . . . A 33 VAL HG12 . 34585 1 118 . 1 . 1 11 11 VAL HG13 H 1 1.009 0.020 . 2 . . . . A 33 VAL HG13 . 34585 1 119 . 1 . 1 11 11 VAL HG21 H 1 1.059 0.020 . 2 . . . . A 33 VAL HG21 . 34585 1 120 . 1 . 1 11 11 VAL HG22 H 1 1.059 0.020 . 2 . . . . A 33 VAL HG22 . 34585 1 121 . 1 . 1 11 11 VAL HG23 H 1 1.059 0.020 . 2 . . . . A 33 VAL HG23 . 34585 1 122 . 1 . 1 11 11 VAL C C 13 174.733 0.400 . 1 . . . . A 33 VAL C . 34585 1 123 . 1 . 1 11 11 VAL CA C 13 62.861 0.400 . 1 . . . . A 33 VAL CA . 34585 1 124 . 1 . 1 11 11 VAL CB C 13 32.502 0.400 . 1 . . . . A 33 VAL CB . 34585 1 125 . 1 . 1 11 11 VAL CG1 C 13 19.532 0.400 . 2 . . . . A 33 VAL CG1 . 34585 1 126 . 1 . 1 11 11 VAL CG2 C 13 20.964 0.400 . 2 . . . . A 33 VAL CG2 . 34585 1 127 . 1 . 1 11 11 VAL N N 15 116.891 0.400 . 1 . . . . A 33 VAL N . 34585 1 128 . 1 . 1 12 12 GLY H H 1 8.063 0.020 . 1 . . . . A 34 GLY H . 34585 1 129 . 1 . 1 12 12 GLY HA2 H 1 3.615 0.020 . 2 . . . . A 34 GLY HA2 . 34585 1 130 . 1 . 1 12 12 GLY HA3 H 1 4.164 0.020 . 2 . . . . A 34 GLY HA3 . 34585 1 131 . 1 . 1 12 12 GLY C C 13 172.142 0.400 . 1 . . . . A 34 GLY C . 34585 1 132 . 1 . 1 12 12 GLY CA C 13 45.011 0.400 . 1 . . . . A 34 GLY CA . 34585 1 133 . 1 . 1 12 12 GLY N N 15 107.181 0.400 . 1 . . . . A 34 GLY N . 34585 1 134 . 1 . 1 13 13 PRO HA H 1 4.771 0.020 . 1 . . . . A 35 PRO HA . 34585 1 135 . 1 . 1 13 13 PRO HB2 H 1 1.684 0.020 . 2 . . . . A 35 PRO HB2 . 34585 1 136 . 1 . 1 13 13 PRO HB3 H 1 1.837 0.020 . 2 . . . . A 35 PRO HB3 . 34585 1 137 . 1 . 1 13 13 PRO HG2 H 1 1.450 0.020 . 2 . . . . A 35 PRO HG2 . 34585 1 138 . 1 . 1 13 13 PRO HG3 H 1 1.450 0.020 . 2 . . . . A 35 PRO HG3 . 34585 1 139 . 1 . 1 13 13 PRO HD2 H 1 3.434 0.020 . 2 . . . . A 35 PRO HD2 . 34585 1 140 . 1 . 1 13 13 PRO HD3 H 1 3.847 0.020 . 2 . . . . A 35 PRO HD3 . 34585 1 141 . 1 . 1 13 13 PRO C C 13 177.649 0.400 . 1 . . . . A 35 PRO C . 34585 1 142 . 1 . 1 13 13 PRO CA C 13 61.640 0.400 . 1 . . . . A 35 PRO CA . 34585 1 143 . 1 . 1 13 13 PRO CB C 13 35.127 0.400 . 1 . . . . A 35 PRO CB . 34585 1 144 . 1 . 1 13 13 PRO CG C 13 27.400 0.400 . 1 . . . . A 35 PRO CG . 34585 1 145 . 1 . 1 13 13 PRO CD C 13 49.728 0.400 . 1 . . . . A 35 PRO CD . 34585 1 146 . 1 . 1 14 14 GLN H H 1 8.780 0.020 . 1 . . . . A 36 GLN H . 34585 1 147 . 1 . 1 14 14 GLN HA H 1 4.557 0.020 . 1 . . . . A 36 GLN HA . 34585 1 148 . 1 . 1 14 14 GLN HB2 H 1 1.978 0.020 . 2 . . . . A 36 GLN HB2 . 34585 1 149 . 1 . 1 14 14 GLN HB3 H 1 2.070 0.020 . 2 . . . . A 36 GLN HB3 . 34585 1 150 . 1 . 1 14 14 GLN HG2 H 1 2.331 0.020 . 2 . . . . A 36 GLN HG2 . 34585 1 151 . 1 . 1 14 14 GLN HG3 H 1 2.428 0.020 . 2 . . . . A 36 GLN HG3 . 34585 1 152 . 1 . 1 14 14 GLN HE21 H 1 6.810 0.020 . 2 . . . . A 36 GLN HE21 . 34585 1 153 . 1 . 1 14 14 GLN HE22 H 1 7.545 0.020 . 2 . . . . A 36 GLN HE22 . 34585 1 154 . 1 . 1 14 14 GLN C C 13 175.848 0.400 . 1 . . . . A 36 GLN C . 34585 1 155 . 1 . 1 14 14 GLN CA C 13 55.556 0.400 . 1 . . . . A 36 GLN CA . 34585 1 156 . 1 . 1 14 14 GLN CB C 13 29.933 0.400 . 1 . . . . A 36 GLN CB . 34585 1 157 . 1 . 1 14 14 GLN CG C 13 33.904 0.400 . 1 . . . . A 36 GLN CG . 34585 1 158 . 1 . 1 14 14 GLN N N 15 119.612 0.400 . 1 . . . . A 36 GLN N . 34585 1 159 . 1 . 1 14 14 GLN NE2 N 15 112.245 0.400 . 1 . . . . A 36 GLN NE2 . 34585 1 160 . 1 . 1 15 15 VAL H H 1 8.696 0.020 . 1 . . . . A 37 VAL H . 34585 1 161 . 1 . 1 15 15 VAL HA H 1 4.986 0.020 . 1 . . . . A 37 VAL HA . 34585 1 162 . 1 . 1 15 15 VAL HB H 1 1.714 0.020 . 1 . . . . A 37 VAL HB . 34585 1 163 . 1 . 1 15 15 VAL HG11 H 1 0.745 0.020 . 2 . . . . A 37 VAL HG11 . 34585 1 164 . 1 . 1 15 15 VAL HG12 H 1 0.745 0.020 . 2 . . . . A 37 VAL HG12 . 34585 1 165 . 1 . 1 15 15 VAL HG13 H 1 0.745 0.020 . 2 . . . . A 37 VAL HG13 . 34585 1 166 . 1 . 1 15 15 VAL HG21 H 1 0.861 0.020 . 2 . . . . A 37 VAL HG21 . 34585 1 167 . 1 . 1 15 15 VAL HG22 H 1 0.861 0.020 . 2 . . . . A 37 VAL HG22 . 34585 1 168 . 1 . 1 15 15 VAL HG23 H 1 0.861 0.020 . 2 . . . . A 37 VAL HG23 . 34585 1 169 . 1 . 1 15 15 VAL C C 13 174.737 0.400 . 1 . . . . A 37 VAL C . 34585 1 170 . 1 . 1 15 15 VAL CA C 13 61.395 0.400 . 1 . . . . A 37 VAL CA . 34585 1 171 . 1 . 1 15 15 VAL CB C 13 35.128 0.400 . 1 . . . . A 37 VAL CB . 34585 1 172 . 1 . 1 15 15 VAL CG1 C 13 20.272 0.400 . 2 . . . . A 37 VAL CG1 . 34585 1 173 . 1 . 1 15 15 VAL CG2 C 13 21.409 0.400 . 2 . . . . A 37 VAL CG2 . 34585 1 174 . 1 . 1 15 15 VAL N N 15 127.649 0.400 . 1 . . . . A 37 VAL N . 34585 1 175 . 1 . 1 16 16 SER H H 1 8.790 0.020 . 1 . . . . A 38 SER H . 34585 1 176 . 1 . 1 16 16 SER HA H 1 4.838 0.020 . 1 . . . . A 38 SER HA . 34585 1 177 . 1 . 1 16 16 SER HB2 H 1 3.694 0.020 . 2 . . . . A 38 SER HB2 . 34585 1 178 . 1 . 1 16 16 SER HB3 H 1 3.695 0.020 . 2 . . . . A 38 SER HB3 . 34585 1 179 . 1 . 1 16 16 SER C C 13 172.902 0.400 . 1 . . . . A 38 SER C . 34585 1 180 . 1 . 1 16 16 SER CA C 13 56.525 0.400 . 1 . . . . A 38 SER CA . 34585 1 181 . 1 . 1 16 16 SER CB C 13 65.671 0.400 . 1 . . . . A 38 SER CB . 34585 1 182 . 1 . 1 16 16 SER N N 15 120.599 0.400 . 1 . . . . A 38 SER N . 34585 1 183 . 1 . 1 17 17 VAL H H 1 8.592 0.020 . 1 . . . . A 39 VAL H . 34585 1 184 . 1 . 1 17 17 VAL HA H 1 4.721 0.020 . 1 . . . . A 39 VAL HA . 34585 1 185 . 1 . 1 17 17 VAL HB H 1 1.837 0.020 . 1 . . . . A 39 VAL HB . 34585 1 186 . 1 . 1 17 17 VAL HG11 H 1 0.666 0.020 . 2 . . . . A 39 VAL HG11 . 34585 1 187 . 1 . 1 17 17 VAL HG12 H 1 0.666 0.020 . 2 . . . . A 39 VAL HG12 . 34585 1 188 . 1 . 1 17 17 VAL HG13 H 1 0.666 0.020 . 2 . . . . A 39 VAL HG13 . 34585 1 189 . 1 . 1 17 17 VAL HG21 H 1 -0.058 0.020 . 2 . . . . A 39 VAL HG21 . 34585 1 190 . 1 . 1 17 17 VAL HG22 H 1 -0.058 0.020 . 2 . . . . A 39 VAL HG22 . 34585 1 191 . 1 . 1 17 17 VAL HG23 H 1 -0.058 0.020 . 2 . . . . A 39 VAL HG23 . 34585 1 192 . 1 . 1 17 17 VAL C C 13 175.151 0.400 . 1 . . . . A 39 VAL C . 34585 1 193 . 1 . 1 17 17 VAL CA C 13 61.638 0.400 . 1 . . . . A 39 VAL CA . 34585 1 194 . 1 . 1 17 17 VAL CB C 13 32.729 0.400 . 1 . . . . A 39 VAL CB . 34585 1 195 . 1 . 1 17 17 VAL CG1 C 13 19.966 0.400 . 2 . . . . A 39 VAL CG1 . 34585 1 196 . 1 . 1 17 17 VAL CG2 C 13 20.242 0.400 . 2 . . . . A 39 VAL CG2 . 34585 1 197 . 1 . 1 17 17 VAL N N 15 126.424 0.400 . 1 . . . . A 39 VAL N . 34585 1 198 . 1 . 1 18 18 THR H H 1 8.604 0.020 . 1 . . . . A 40 THR H . 34585 1 199 . 1 . 1 18 18 THR HA H 1 5.550 0.020 . 1 . . . . A 40 THR HA . 34585 1 200 . 1 . 1 18 18 THR HB H 1 4.222 0.020 . 1 . . . . A 40 THR HB . 34585 1 201 . 1 . 1 18 18 THR HG21 H 1 0.931 0.020 . 1 . . . . A 40 THR HG21 . 34585 1 202 . 1 . 1 18 18 THR HG22 H 1 0.931 0.020 . 1 . . . . A 40 THR HG22 . 34585 1 203 . 1 . 1 18 18 THR HG23 H 1 0.931 0.020 . 1 . . . . A 40 THR HG23 . 34585 1 204 . 1 . 1 18 18 THR C C 13 173.333 0.400 . 1 . . . . A 40 THR C . 34585 1 205 . 1 . 1 18 18 THR CA C 13 58.828 0.400 . 1 . . . . A 40 THR CA . 34585 1 206 . 1 . 1 18 18 THR CB C 13 73.574 0.400 . 1 . . . . A 40 THR CB . 34585 1 207 . 1 . 1 18 18 THR CG2 C 13 21.193 0.400 . 1 . . . . A 40 THR CG2 . 34585 1 208 . 1 . 1 18 18 THR N N 15 115.710 0.400 . 1 . . . . A 40 THR N . 34585 1 209 . 1 . 1 19 19 ASP H H 1 7.918 0.020 . 1 . . . . A 41 ASP H . 34585 1 210 . 1 . 1 19 19 ASP HA H 1 5.127 0.020 . 1 . . . . A 41 ASP HA . 34585 1 211 . 1 . 1 19 19 ASP HB2 H 1 2.612 0.020 . 2 . . . . A 41 ASP HB2 . 34585 1 212 . 1 . 1 19 19 ASP HB3 H 1 3.306 0.020 . 2 . . . . A 41 ASP HB3 . 34585 1 213 . 1 . 1 19 19 ASP C C 13 179.804 0.400 . 1 . . . . A 41 ASP C . 34585 1 214 . 1 . 1 19 19 ASP CA C 13 51.962 0.400 . 1 . . . . A 41 ASP CA . 34585 1 215 . 1 . 1 19 19 ASP CB C 13 41.727 0.400 . 1 . . . . A 41 ASP CB . 34585 1 216 . 1 . 1 19 19 ASP N N 15 117.650 0.400 . 1 . . . . A 41 ASP N . 34585 1 217 . 1 . 1 20 20 SER H H 1 8.202 0.020 . 1 . . . . A 42 SER H . 34585 1 218 . 1 . 1 20 20 SER HA H 1 4.163 0.020 . 1 . . . . A 42 SER HA . 34585 1 219 . 1 . 1 20 20 SER HB2 H 1 3.850 0.020 . 2 . . . . A 42 SER HB2 . 34585 1 220 . 1 . 1 20 20 SER HB3 H 1 3.977 0.020 . 2 . . . . A 42 SER HB3 . 34585 1 221 . 1 . 1 20 20 SER C C 13 174.487 0.400 . 1 . . . . A 42 SER C . 34585 1 222 . 1 . 1 20 20 SER CA C 13 60.764 0.400 . 1 . . . . A 42 SER CA . 34585 1 223 . 1 . 1 20 20 SER CB C 13 63.091 0.400 . 1 . . . . A 42 SER CB . 34585 1 224 . 1 . 1 20 20 SER N N 15 113.853 0.400 . 1 . . . . A 42 SER N . 34585 1 225 . 1 . 1 21 21 ALA H H 1 7.873 0.020 . 1 . . . . A 43 ALA H . 34585 1 226 . 1 . 1 21 21 ALA HA H 1 4.475 0.020 . 1 . . . . A 43 ALA HA . 34585 1 227 . 1 . 1 21 21 ALA HB1 H 1 1.144 0.020 . 1 . . . . A 43 ALA HB1 . 34585 1 228 . 1 . 1 21 21 ALA HB2 H 1 1.144 0.020 . 1 . . . . A 43 ALA HB2 . 34585 1 229 . 1 . 1 21 21 ALA HB3 H 1 1.144 0.020 . 1 . . . . A 43 ALA HB3 . 34585 1 230 . 1 . 1 21 21 ALA C C 13 175.945 0.400 . 1 . . . . A 43 ALA C . 34585 1 231 . 1 . 1 21 21 ALA CA C 13 51.228 0.400 . 1 . . . . A 43 ALA CA . 34585 1 232 . 1 . 1 21 21 ALA CB C 13 18.682 0.400 . 1 . . . . A 43 ALA CB . 34585 1 233 . 1 . 1 21 21 ALA N N 15 124.894 0.400 . 1 . . . . A 43 ALA N . 34585 1 234 . 1 . 1 22 22 GLN H H 1 8.040 0.020 . 1 . . . . A 44 GLN H . 34585 1 235 . 1 . 1 22 22 GLN HA H 1 3.722 0.020 . 1 . . . . A 44 GLN HA . 34585 1 236 . 1 . 1 22 22 GLN HB3 H 1 2.333 0.020 . 2 . . . . A 44 GLN HB3 . 34585 1 237 . 1 . 1 22 22 GLN HG2 H 1 2.222 0.020 . 2 . . . . A 44 GLN HG2 . 34585 1 238 . 1 . 1 22 22 GLN HG3 H 1 2.263 0.020 . 2 . . . . A 44 GLN HG3 . 34585 1 239 . 1 . 1 22 22 GLN HE21 H 1 7.359 0.020 . 2 . . . . A 44 GLN HE21 . 34585 1 240 . 1 . 1 22 22 GLN HE22 H 1 6.647 0.020 . 2 . . . . A 44 GLN HE22 . 34585 1 241 . 1 . 1 22 22 GLN C C 13 175.405 0.400 . 1 . . . . A 44 GLN C . 34585 1 242 . 1 . 1 22 22 GLN CA C 13 57.318 0.400 . 1 . . . . A 44 GLN CA . 34585 1 243 . 1 . 1 22 22 GLN CB C 13 25.514 0.400 . 1 . . . . A 44 GLN CB . 34585 1 244 . 1 . 1 22 22 GLN CG C 13 34.264 0.400 . 1 . . . . A 44 GLN CG . 34585 1 245 . 1 . 1 22 22 GLN N N 15 110.346 0.400 . 1 . . . . A 44 GLN N . 34585 1 246 . 1 . 1 22 22 GLN NE2 N 15 112.096 0.400 . 1 . . . . A 44 GLN NE2 . 34585 1 247 . 1 . 1 23 23 HIS H H 1 8.662 0.020 . 1 . . . . A 45 HIS H . 34585 1 248 . 1 . 1 23 23 HIS HA H 1 5.081 0.020 . 1 . . . . A 45 HIS HA . 34585 1 249 . 1 . 1 23 23 HIS HB2 H 1 3.536 0.020 . 2 . . . . A 45 HIS HB2 . 34585 1 250 . 1 . 1 23 23 HIS HB3 H 1 3.537 0.020 . 2 . . . . A 45 HIS HB3 . 34585 1 251 . 1 . 1 23 23 HIS HD2 H 1 7.276 0.020 . 1 . . . . A 45 HIS HD2 . 34585 1 252 . 1 . 1 23 23 HIS HE1 H 1 8.495 0.020 . 1 . . . . A 45 HIS HE1 . 34585 1 253 . 1 . 1 23 23 HIS C C 13 176.259 0.400 . 1 . . . . A 45 HIS C . 34585 1 254 . 1 . 1 23 23 HIS CA C 13 55.059 0.400 . 1 . . . . A 45 HIS CA . 34585 1 255 . 1 . 1 23 23 HIS CB C 13 29.631 0.400 . 1 . . . . A 45 HIS CB . 34585 1 256 . 1 . 1 23 23 HIS CD2 C 13 119.089 0.400 . 1 . . . . A 45 HIS CD2 . 34585 1 257 . 1 . 1 23 23 HIS CE1 C 13 136.203 0.400 . 1 . . . . A 45 HIS CE1 . 34585 1 258 . 1 . 1 23 23 HIS N N 15 118.620 0.400 . 1 . . . . A 45 HIS N . 34585 1 259 . 1 . 1 24 24 THR H H 1 8.208 0.020 . 1 . . . . A 46 THR H . 34585 1 260 . 1 . 1 24 24 THR HG21 H 1 1.286 0.020 . 1 . . . . A 46 THR HG21 . 34585 1 261 . 1 . 1 24 24 THR HG22 H 1 1.286 0.020 . 1 . . . . A 46 THR HG22 . 34585 1 262 . 1 . 1 24 24 THR HG23 H 1 1.286 0.020 . 1 . . . . A 46 THR HG23 . 34585 1 263 . 1 . 1 24 24 THR C C 13 175.317 0.400 . 1 . . . . A 46 THR C . 34585 1 264 . 1 . 1 24 24 THR CA C 13 61.689 0.400 . 1 . . . . A 46 THR CA . 34585 1 265 . 1 . 1 24 24 THR CB C 13 69.700 0.400 . 1 . . . . A 46 THR CB . 34585 1 266 . 1 . 1 24 24 THR CG2 C 13 21.300 0.400 . 1 . . . . A 46 THR CG2 . 34585 1 267 . 1 . 1 24 24 THR N N 15 107.527 0.400 . 1 . . . . A 46 THR N . 34585 1 268 . 1 . 1 25 25 GLY H H 1 8.459 0.020 . 1 . . . . A 47 GLY H . 34585 1 269 . 1 . 1 25 25 GLY HA2 H 1 2.168 0.020 . 2 . . . . A 47 GLY HA2 . 34585 1 270 . 1 . 1 25 25 GLY HA3 H 1 3.295 0.020 . 2 . . . . A 47 GLY HA3 . 34585 1 271 . 1 . 1 25 25 GLY CA C 13 43.232 0.400 . 1 . . . . A 47 GLY CA . 34585 1 272 . 1 . 1 25 25 GLY N N 15 111.101 0.400 . 1 . . . . A 47 GLY N . 34585 1 273 . 1 . 1 26 26 PRO HA H 1 4.421 0.020 . 1 . . . . A 48 PRO HA . 34585 1 274 . 1 . 1 26 26 PRO HB2 H 1 1.841 0.020 . 2 . . . . A 48 PRO HB2 . 34585 1 275 . 1 . 1 26 26 PRO HB3 H 1 2.069 0.020 . 2 . . . . A 48 PRO HB3 . 34585 1 276 . 1 . 1 26 26 PRO HG2 H 1 1.829 0.020 . 2 . . . . A 48 PRO HG2 . 34585 1 277 . 1 . 1 26 26 PRO HG3 H 1 1.849 0.020 . 2 . . . . A 48 PRO HG3 . 34585 1 278 . 1 . 1 26 26 PRO HD2 H 1 3.563 0.020 . 2 . . . . A 48 PRO HD2 . 34585 1 279 . 1 . 1 26 26 PRO HD3 H 1 3.412 0.020 . 2 . . . . A 48 PRO HD3 . 34585 1 280 . 1 . 1 26 26 PRO C C 13 175.314 0.400 . 1 . . . . A 48 PRO C . 34585 1 281 . 1 . 1 26 26 PRO CA C 13 61.856 0.400 . 1 . . . . A 48 PRO CA . 34585 1 282 . 1 . 1 26 26 PRO CB C 13 35.303 0.400 . 1 . . . . A 48 PRO CB . 34585 1 283 . 1 . 1 26 26 PRO CG C 13 25.357 0.400 . 1 . . . . A 48 PRO CG . 34585 1 284 . 1 . 1 26 26 PRO CD C 13 50.728 0.400 . 1 . . . . A 48 PRO CD . 34585 1 285 . 1 . 1 27 27 PHE H H 1 8.653 0.020 . 1 . . . . A 49 PHE H . 34585 1 286 . 1 . 1 27 27 PHE HA H 1 5.012 0.020 . 1 . . . . A 49 PHE HA . 34585 1 287 . 1 . 1 27 27 PHE HB2 H 1 2.663 0.020 . 2 . . . . A 49 PHE HB2 . 34585 1 288 . 1 . 1 27 27 PHE HB3 H 1 3.382 0.020 . 2 . . . . A 49 PHE HB3 . 34585 1 289 . 1 . 1 27 27 PHE HD1 H 1 7.230 0.020 . 1 . . . . A 49 PHE HD1 . 34585 1 290 . 1 . 1 27 27 PHE HD2 H 1 7.228 0.020 . 1 . . . . A 49 PHE HD2 . 34585 1 291 . 1 . 1 27 27 PHE HE1 H 1 6.897 0.020 . 1 . . . . A 49 PHE HE1 . 34585 1 292 . 1 . 1 27 27 PHE HE2 H 1 6.897 0.020 . 1 . . . . A 49 PHE HE2 . 34585 1 293 . 1 . 1 27 27 PHE HZ H 1 7.005 0.020 . 1 . . . . A 49 PHE HZ . 34585 1 294 . 1 . 1 27 27 PHE C C 13 174.928 0.400 . 1 . . . . A 49 PHE C . 34585 1 295 . 1 . 1 27 27 PHE CA C 13 56.987 0.400 . 1 . . . . A 49 PHE CA . 34585 1 296 . 1 . 1 27 27 PHE CB C 13 42.269 0.400 . 1 . . . . A 49 PHE CB . 34585 1 297 . 1 . 1 27 27 PHE CD1 C 13 131.671 0.400 . 3 . . . . A 49 PHE CD1 . 34585 1 298 . 1 . 1 27 27 PHE CD2 C 13 131.675 0.400 . 3 . . . . A 49 PHE CD2 . 34585 1 299 . 1 . 1 27 27 PHE CE1 C 13 131.350 0.400 . 3 . . . . A 49 PHE CE1 . 34585 1 300 . 1 . 1 27 27 PHE CE2 C 13 131.350 0.400 . 3 . . . . A 49 PHE CE2 . 34585 1 301 . 1 . 1 27 27 PHE CZ C 13 129.472 0.400 . 1 . . . . A 49 PHE CZ . 34585 1 302 . 1 . 1 27 27 PHE N N 15 121.428 0.400 . 1 . . . . A 49 PHE N . 34585 1 303 . 1 . 1 28 28 ALA H H 1 8.274 0.020 . 1 . . . . A 50 ALA H . 34585 1 304 . 1 . 1 28 28 ALA HA H 1 4.609 0.020 . 1 . . . . A 50 ALA HA . 34585 1 305 . 1 . 1 28 28 ALA HB1 H 1 1.501 0.020 . 1 . . . . A 50 ALA HB1 . 34585 1 306 . 1 . 1 28 28 ALA HB2 H 1 1.501 0.020 . 1 . . . . A 50 ALA HB2 . 34585 1 307 . 1 . 1 28 28 ALA HB3 H 1 1.501 0.020 . 1 . . . . A 50 ALA HB3 . 34585 1 308 . 1 . 1 28 28 ALA C C 13 178.839 0.400 . 1 . . . . A 50 ALA C . 34585 1 309 . 1 . 1 28 28 ALA CA C 13 51.471 0.400 . 1 . . . . A 50 ALA CA . 34585 1 310 . 1 . 1 28 28 ALA CB C 13 19.331 0.400 . 1 . . . . A 50 ALA CB . 34585 1 311 . 1 . 1 28 28 ALA N N 15 122.722 0.400 . 1 . . . . A 50 ALA N . 34585 1 312 . 1 . 1 29 29 ALA H H 1 8.502 0.020 . 1 . . . . A 51 ALA H . 34585 1 313 . 1 . 1 29 29 ALA HA H 1 3.754 0.020 . 1 . . . . A 51 ALA HA . 34585 1 314 . 1 . 1 29 29 ALA HB1 H 1 1.500 0.020 . 1 . . . . A 51 ALA HB1 . 34585 1 315 . 1 . 1 29 29 ALA HB2 H 1 1.500 0.020 . 1 . . . . A 51 ALA HB2 . 34585 1 316 . 1 . 1 29 29 ALA HB3 H 1 1.500 0.020 . 1 . . . . A 51 ALA HB3 . 34585 1 317 . 1 . 1 29 29 ALA C C 13 176.645 0.400 . 1 . . . . A 51 ALA C . 34585 1 318 . 1 . 1 29 29 ALA CA C 13 54.707 0.400 . 1 . . . . A 51 ALA CA . 34585 1 319 . 1 . 1 29 29 ALA CB C 13 19.233 0.400 . 1 . . . . A 51 ALA CB . 34585 1 320 . 1 . 1 29 29 ALA N N 15 120.865 0.400 . 1 . . . . A 51 ALA N . 34585 1 321 . 1 . 1 30 30 SER H H 1 7.313 0.020 . 1 . . . . A 52 SER H . 34585 1 322 . 1 . 1 30 30 SER HA H 1 4.507 0.020 . 1 . . . . A 52 SER HA . 34585 1 323 . 1 . 1 30 30 SER HB2 H 1 3.798 0.020 . 2 . . . . A 52 SER HB2 . 34585 1 324 . 1 . 1 30 30 SER HB3 H 1 4.146 0.020 . 2 . . . . A 52 SER HB3 . 34585 1 325 . 1 . 1 30 30 SER C C 13 175.328 0.400 . 1 . . . . A 52 SER C . 34585 1 326 . 1 . 1 30 30 SER CA C 13 56.944 0.400 . 1 . . . . A 52 SER CA . 34585 1 327 . 1 . 1 30 30 SER CB C 13 64.079 0.400 . 1 . . . . A 52 SER CB . 34585 1 328 . 1 . 1 30 30 SER N N 15 103.994 0.400 . 1 . . . . A 52 SER N . 34585 1 329 . 1 . 1 31 31 SER H H 1 7.416 0.020 . 1 . . . . A 53 SER H . 34585 1 330 . 1 . 1 31 31 SER HA H 1 4.595 0.020 . 1 . . . . A 53 SER HA . 34585 1 331 . 1 . 1 31 31 SER HB2 H 1 3.876 0.020 . 2 . . . . A 53 SER HB2 . 34585 1 332 . 1 . 1 31 31 SER HB3 H 1 3.888 0.020 . 2 . . . . A 53 SER HB3 . 34585 1 333 . 1 . 1 31 31 SER C C 13 170.929 0.400 . 1 . . . . A 53 SER C . 34585 1 334 . 1 . 1 31 31 SER CA C 13 57.579 0.400 . 1 . . . . A 53 SER CA . 34585 1 335 . 1 . 1 31 31 SER CB C 13 63.963 0.400 . 1 . . . . A 53 SER CB . 34585 1 336 . 1 . 1 31 31 SER N N 15 122.222 0.400 . 1 . . . . A 53 SER N . 34585 1 337 . 1 . 1 32 32 PRO HA H 1 3.608 0.020 . 1 . . . . A 54 PRO HA . 34585 1 338 . 1 . 1 32 32 PRO HB2 H 1 1.779 0.020 . 2 . . . . A 54 PRO HB2 . 34585 1 339 . 1 . 1 32 32 PRO HB3 H 1 2.069 0.020 . 2 . . . . A 54 PRO HB3 . 34585 1 340 . 1 . 1 32 32 PRO HG2 H 1 2.142 0.020 . 2 . . . . A 54 PRO HG2 . 34585 1 341 . 1 . 1 32 32 PRO HG3 H 1 1.867 0.020 . 2 . . . . A 54 PRO HG3 . 34585 1 342 . 1 . 1 32 32 PRO HD2 H 1 3.705 0.020 . 2 . . . . A 54 PRO HD2 . 34585 1 343 . 1 . 1 32 32 PRO HD3 H 1 4.214 0.020 . 2 . . . . A 54 PRO HD3 . 34585 1 344 . 1 . 1 32 32 PRO C C 13 177.312 0.400 . 1 . . . . A 54 PRO C . 34585 1 345 . 1 . 1 32 32 PRO CA C 13 62.485 0.400 . 1 . . . . A 54 PRO CA . 34585 1 346 . 1 . 1 32 32 PRO CB C 13 31.936 0.400 . 1 . . . . A 54 PRO CB . 34585 1 347 . 1 . 1 32 32 PRO CG C 13 28.265 0.400 . 1 . . . . A 54 PRO CG . 34585 1 348 . 1 . 1 32 32 PRO CD C 13 50.710 0.400 . 1 . . . . A 54 PRO CD . 34585 1 349 . 1 . 1 33 33 LEU H H 1 7.559 0.020 . 1 . . . . A 55 LEU H . 34585 1 350 . 1 . 1 33 33 LEU HA H 1 4.605 0.020 . 1 . . . . A 55 LEU HA . 34585 1 351 . 1 . 1 33 33 LEU HB2 H 1 1.169 0.020 . 2 . . . . A 55 LEU HB2 . 34585 1 352 . 1 . 1 33 33 LEU HB3 H 1 0.351 0.020 . 2 . . . . A 55 LEU HB3 . 34585 1 353 . 1 . 1 33 33 LEU HG H 1 1.327 0.020 . 1 . . . . A 55 LEU HG . 34585 1 354 . 1 . 1 33 33 LEU HD11 H 1 -0.734 0.020 . 2 . . . . A 55 LEU HD11 . 34585 1 355 . 1 . 1 33 33 LEU HD12 H 1 -0.734 0.020 . 2 . . . . A 55 LEU HD12 . 34585 1 356 . 1 . 1 33 33 LEU HD13 H 1 -0.734 0.020 . 2 . . . . A 55 LEU HD13 . 34585 1 357 . 1 . 1 33 33 LEU HD21 H 1 -0.067 0.020 . 2 . . . . A 55 LEU HD21 . 34585 1 358 . 1 . 1 33 33 LEU HD22 H 1 -0.067 0.020 . 2 . . . . A 55 LEU HD22 . 34585 1 359 . 1 . 1 33 33 LEU HD23 H 1 -0.067 0.020 . 2 . . . . A 55 LEU HD23 . 34585 1 360 . 1 . 1 33 33 LEU C C 13 177.260 0.400 . 1 . . . . A 55 LEU C . 34585 1 361 . 1 . 1 33 33 LEU CA C 13 53.422 0.400 . 1 . . . . A 55 LEU CA . 34585 1 362 . 1 . 1 33 33 LEU CB C 13 43.509 0.400 . 1 . . . . A 55 LEU CB . 34585 1 363 . 1 . 1 33 33 LEU CG C 13 25.845 0.400 . 1 . . . . A 55 LEU CG . 34585 1 364 . 1 . 1 33 33 LEU CD1 C 13 20.451 0.400 . 2 . . . . A 55 LEU CD1 . 34585 1 365 . 1 . 1 33 33 LEU CD2 C 13 25.858 0.400 . 2 . . . . A 55 LEU CD2 . 34585 1 366 . 1 . 1 33 33 LEU N N 15 123.988 0.400 . 1 . . . . A 55 LEU N . 34585 1 367 . 1 . 1 34 34 THR H H 1 8.967 0.020 . 1 . . . . A 56 THR H . 34585 1 368 . 1 . 1 34 34 THR HA H 1 4.790 0.020 . 1 . . . . A 56 THR HA . 34585 1 369 . 1 . 1 34 34 THR HB H 1 3.595 0.020 . 1 . . . . A 56 THR HB . 34585 1 370 . 1 . 1 34 34 THR HG21 H 1 0.722 0.020 . 1 . . . . A 56 THR HG21 . 34585 1 371 . 1 . 1 34 34 THR HG22 H 1 0.722 0.020 . 1 . . . . A 56 THR HG22 . 34585 1 372 . 1 . 1 34 34 THR HG23 H 1 0.722 0.020 . 1 . . . . A 56 THR HG23 . 34585 1 373 . 1 . 1 34 34 THR C C 13 173.064 0.400 . 1 . . . . A 56 THR C . 34585 1 374 . 1 . 1 34 34 THR CA C 13 61.614 0.400 . 1 . . . . A 56 THR CA . 34585 1 375 . 1 . 1 34 34 THR CB C 13 71.400 0.400 . 1 . . . . A 56 THR CB . 34585 1 376 . 1 . 1 34 34 THR CG2 C 13 21.122 0.400 . 1 . . . . A 56 THR CG2 . 34585 1 377 . 1 . 1 34 34 THR N N 15 119.486 0.400 . 1 . . . . A 56 THR N . 34585 1 378 . 1 . 1 35 35 ILE H H 1 8.870 0.020 . 1 . . . . A 57 ILE H . 34585 1 379 . 1 . 1 35 35 ILE HA H 1 4.849 0.020 . 1 . . . . A 57 ILE HA . 34585 1 380 . 1 . 1 35 35 ILE HB H 1 1.631 0.020 . 1 . . . . A 57 ILE HB . 34585 1 381 . 1 . 1 35 35 ILE HG12 H 1 1.230 0.020 . 2 . . . . A 57 ILE HG12 . 34585 1 382 . 1 . 1 35 35 ILE HG13 H 1 0.710 0.020 . 2 . . . . A 57 ILE HG13 . 34585 1 383 . 1 . 1 35 35 ILE HG21 H 1 0.750 0.020 . 1 . . . . A 57 ILE HG21 . 34585 1 384 . 1 . 1 35 35 ILE HG22 H 1 0.750 0.020 . 1 . . . . A 57 ILE HG22 . 34585 1 385 . 1 . 1 35 35 ILE HG23 H 1 0.750 0.020 . 1 . . . . A 57 ILE HG23 . 34585 1 386 . 1 . 1 35 35 ILE HD11 H 1 0.352 0.020 . 1 . . . . A 57 ILE HD11 . 34585 1 387 . 1 . 1 35 35 ILE HD12 H 1 0.352 0.020 . 1 . . . . A 57 ILE HD12 . 34585 1 388 . 1 . 1 35 35 ILE HD13 H 1 0.352 0.020 . 1 . . . . A 57 ILE HD13 . 34585 1 389 . 1 . 1 35 35 ILE C C 13 174.621 0.400 . 1 . . . . A 57 ILE C . 34585 1 390 . 1 . 1 35 35 ILE CA C 13 60.491 0.400 . 1 . . . . A 57 ILE CA . 34585 1 391 . 1 . 1 35 35 ILE CB C 13 40.257 0.400 . 1 . . . . A 57 ILE CB . 34585 1 392 . 1 . 1 35 35 ILE CG1 C 13 27.330 0.400 . 1 . . . . A 57 ILE CG1 . 34585 1 393 . 1 . 1 35 35 ILE CG2 C 13 16.881 0.400 . 1 . . . . A 57 ILE CG2 . 34585 1 394 . 1 . 1 35 35 ILE CD1 C 13 13.396 0.400 . 1 . . . . A 57 ILE CD1 . 34585 1 395 . 1 . 1 35 35 ILE N N 15 126.756 0.400 . 1 . . . . A 57 ILE N . 34585 1 396 . 1 . 1 36 36 THR H H 1 8.990 0.020 . 1 . . . . A 58 THR H . 34585 1 397 . 1 . 1 36 36 THR HA H 1 4.840 0.020 . 1 . . . . A 58 THR HA . 34585 1 398 . 1 . 1 36 36 THR HB H 1 3.812 0.020 . 1 . . . . A 58 THR HB . 34585 1 399 . 1 . 1 36 36 THR HG21 H 1 0.944 0.020 . 1 . . . . A 58 THR HG21 . 34585 1 400 . 1 . 1 36 36 THR HG22 H 1 0.944 0.020 . 1 . . . . A 58 THR HG22 . 34585 1 401 . 1 . 1 36 36 THR HG23 H 1 0.944 0.020 . 1 . . . . A 58 THR HG23 . 34585 1 402 . 1 . 1 36 36 THR C C 13 173.844 0.400 . 1 . . . . A 58 THR C . 34585 1 403 . 1 . 1 36 36 THR CA C 13 61.856 0.400 . 1 . . . . A 58 THR CA . 34585 1 404 . 1 . 1 36 36 THR CB C 13 69.559 0.400 . 1 . . . . A 58 THR CB . 34585 1 405 . 1 . 1 36 36 THR CG2 C 13 21.356 0.400 . 1 . . . . A 58 THR CG2 . 34585 1 406 . 1 . 1 36 36 THR N N 15 124.767 0.400 . 1 . . . . A 58 THR N . 34585 1 407 . 1 . 1 37 37 VAL H H 1 9.195 0.020 . 1 . . . . A 59 VAL H . 34585 1 408 . 1 . 1 37 37 VAL HA H 1 4.590 0.020 . 1 . . . . A 59 VAL HA . 34585 1 409 . 1 . 1 37 37 VAL HB H 1 2.050 0.020 . 1 . . . . A 59 VAL HB . 34585 1 410 . 1 . 1 37 37 VAL HG11 H 1 0.975 0.020 . 2 . . . . A 59 VAL HG11 . 34585 1 411 . 1 . 1 37 37 VAL HG12 H 1 0.975 0.020 . 2 . . . . A 59 VAL HG12 . 34585 1 412 . 1 . 1 37 37 VAL HG13 H 1 0.975 0.020 . 2 . . . . A 59 VAL HG13 . 34585 1 413 . 1 . 1 37 37 VAL HG21 H 1 0.769 0.020 . 2 . . . . A 59 VAL HG21 . 34585 1 414 . 1 . 1 37 37 VAL HG22 H 1 0.769 0.020 . 2 . . . . A 59 VAL HG22 . 34585 1 415 . 1 . 1 37 37 VAL HG23 H 1 0.769 0.020 . 2 . . . . A 59 VAL HG23 . 34585 1 416 . 1 . 1 37 37 VAL C C 13 173.682 0.400 . 1 . . . . A 59 VAL C . 34585 1 417 . 1 . 1 37 37 VAL CA C 13 61.389 0.400 . 1 . . . . A 59 VAL CA . 34585 1 418 . 1 . 1 37 37 VAL CB C 13 34.528 0.400 . 1 . . . . A 59 VAL CB . 34585 1 419 . 1 . 1 37 37 VAL CG1 C 13 21.224 0.400 . 2 . . . . A 59 VAL CG1 . 34585 1 420 . 1 . 1 37 37 VAL CG2 C 13 23.434 0.400 . 2 . . . . A 59 VAL CG2 . 34585 1 421 . 1 . 1 37 37 VAL N N 15 127.292 0.400 . 1 . . . . A 59 VAL N . 34585 1 422 . 1 . 1 38 38 LYS H H 1 9.043 0.020 . 1 . . . . A 60 LYS H . 34585 1 423 . 1 . 1 38 38 LYS HA H 1 4.957 0.020 . 1 . . . . A 60 LYS HA . 34585 1 424 . 1 . 1 38 38 LYS HB2 H 1 1.594 0.020 . 2 . . . . A 60 LYS HB2 . 34585 1 425 . 1 . 1 38 38 LYS HB3 H 1 1.829 0.020 . 2 . . . . A 60 LYS HB3 . 34585 1 426 . 1 . 1 38 38 LYS HG2 H 1 1.291 0.020 . 2 . . . . A 60 LYS HG2 . 34585 1 427 . 1 . 1 38 38 LYS HG3 H 1 1.333 0.020 . 2 . . . . A 60 LYS HG3 . 34585 1 428 . 1 . 1 38 38 LYS HD2 H 1 1.582 0.020 . 2 . . . . A 60 LYS HD2 . 34585 1 429 . 1 . 1 38 38 LYS HD3 H 1 1.582 0.020 . 2 . . . . A 60 LYS HD3 . 34585 1 430 . 1 . 1 38 38 LYS HE2 H 1 2.910 0.020 . 2 . . . . A 60 LYS HE2 . 34585 1 431 . 1 . 1 38 38 LYS HE3 H 1 2.912 0.020 . 2 . . . . A 60 LYS HE3 . 34585 1 432 . 1 . 1 38 38 LYS C C 13 173.734 0.400 . 1 . . . . A 60 LYS C . 34585 1 433 . 1 . 1 38 38 LYS CA C 13 52.504 0.400 . 1 . . . . A 60 LYS CA . 34585 1 434 . 1 . 1 38 38 LYS CB C 13 34.891 0.400 . 1 . . . . A 60 LYS CB . 34585 1 435 . 1 . 1 38 38 LYS CG C 13 24.866 0.400 . 1 . . . . A 60 LYS CG . 34585 1 436 . 1 . 1 38 38 LYS CD C 13 29.542 0.400 . 1 . . . . A 60 LYS CD . 34585 1 437 . 1 . 1 38 38 LYS CE C 13 42.292 0.400 . 1 . . . . A 60 LYS CE . 34585 1 438 . 1 . 1 38 38 LYS N N 15 129.054 0.400 . 1 . . . . A 60 LYS N . 34585 1 439 . 1 . 1 39 39 PRO HA H 1 4.025 0.020 . 1 . . . . A 61 PRO HA . 34585 1 440 . 1 . 1 39 39 PRO HB2 H 1 2.596 0.020 . 2 . . . . A 61 PRO HB2 . 34585 1 441 . 1 . 1 39 39 PRO HB3 H 1 2.596 0.020 . 2 . . . . A 61 PRO HB3 . 34585 1 442 . 1 . 1 39 39 PRO HG2 H 1 1.989 0.020 . 2 . . . . A 61 PRO HG2 . 34585 1 443 . 1 . 1 39 39 PRO HG3 H 1 2.060 0.020 . 2 . . . . A 61 PRO HG3 . 34585 1 444 . 1 . 1 39 39 PRO HD2 H 1 3.416 0.020 . 2 . . . . A 61 PRO HD2 . 34585 1 445 . 1 . 1 39 39 PRO HD3 H 1 4.029 0.020 . 2 . . . . A 61 PRO HD3 . 34585 1 446 . 1 . 1 39 39 PRO C C 13 175.758 0.400 . 1 . . . . A 61 PRO C . 34585 1 447 . 1 . 1 39 39 PRO CA C 13 64.545 0.400 . 1 . . . . A 61 PRO CA . 34585 1 448 . 1 . 1 39 39 PRO CB C 13 32.964 0.400 . 1 . . . . A 61 PRO CB . 34585 1 449 . 1 . 1 39 39 PRO CG C 13 27.836 0.400 . 1 . . . . A 61 PRO CG . 34585 1 450 . 1 . 1 39 39 PRO CD C 13 52.175 0.400 . 1 . . . . A 61 PRO CD . 34585 1 451 . 1 . 1 40 40 GLY H H 1 9.512 0.020 . 1 . . . . A 62 GLY H . 34585 1 452 . 1 . 1 40 40 GLY HA2 H 1 4.158 0.020 . 2 . . . . A 62 GLY HA2 . 34585 1 453 . 1 . 1 40 40 GLY HA3 H 1 3.480 0.020 . 2 . . . . A 62 GLY HA3 . 34585 1 454 . 1 . 1 40 40 GLY C C 13 171.995 0.400 . 1 . . . . A 62 GLY C . 34585 1 455 . 1 . 1 40 40 GLY CA C 13 45.030 0.400 . 1 . . . . A 62 GLY CA . 34585 1 456 . 1 . 1 40 40 GLY N N 15 113.482 0.400 . 1 . . . . A 62 GLY N . 34585 1 457 . 1 . 1 41 41 ALA H H 1 7.720 0.020 . 1 . . . . A 63 ALA H . 34585 1 458 . 1 . 1 41 41 ALA HA H 1 4.590 0.020 . 1 . . . . A 63 ALA HA . 34585 1 459 . 1 . 1 41 41 ALA HB1 H 1 1.430 0.020 . 1 . . . . A 63 ALA HB1 . 34585 1 460 . 1 . 1 41 41 ALA HB2 H 1 1.430 0.020 . 1 . . . . A 63 ALA HB2 . 34585 1 461 . 1 . 1 41 41 ALA HB3 H 1 1.430 0.020 . 1 . . . . A 63 ALA HB3 . 34585 1 462 . 1 . 1 41 41 ALA C C 13 173.980 0.400 . 1 . . . . A 63 ALA C . 34585 1 463 . 1 . 1 41 41 ALA CA C 13 49.264 0.400 . 1 . . . . A 63 ALA CA . 34585 1 464 . 1 . 1 41 41 ALA CB C 13 20.734 0.400 . 1 . . . . A 63 ALA CB . 34585 1 465 . 1 . 1 41 41 ALA N N 15 122.043 0.400 . 1 . . . . A 63 ALA N . 34585 1 466 . 1 . 1 42 42 PRO HA H 1 3.853 0.020 . 1 . . . . A 64 PRO HA . 34585 1 467 . 1 . 1 42 42 PRO HB2 H 1 1.915 0.020 . 2 . . . . A 64 PRO HB2 . 34585 1 468 . 1 . 1 42 42 PRO HB3 H 1 2.619 0.020 . 2 . . . . A 64 PRO HB3 . 34585 1 469 . 1 . 1 42 42 PRO HG2 H 1 2.226 0.020 . 2 . . . . A 64 PRO HG2 . 34585 1 470 . 1 . 1 42 42 PRO HD2 H 1 3.576 0.020 . 2 . . . . A 64 PRO HD2 . 34585 1 471 . 1 . 1 42 42 PRO HD3 H 1 3.853 0.020 . 2 . . . . A 64 PRO HD3 . 34585 1 472 . 1 . 1 42 42 PRO C C 13 176.850 0.400 . 1 . . . . A 64 PRO C . 34585 1 473 . 1 . 1 42 42 PRO CA C 13 64.633 0.400 . 1 . . . . A 64 PRO CA . 34585 1 474 . 1 . 1 42 42 PRO CB C 13 32.390 0.400 . 1 . . . . A 64 PRO CB . 34585 1 475 . 1 . 1 42 42 PRO CG C 13 28.245 0.400 . 1 . . . . A 64 PRO CG . 34585 1 476 . 1 . 1 42 42 PRO CD C 13 50.101 0.400 . 1 . . . . A 64 PRO CD . 34585 1 477 . 1 . 1 43 43 CYS H H 1 9.602 0.020 . 1 . . . . A 65 CYS H . 34585 1 478 . 1 . 1 43 43 CYS HA H 1 5.297 0.020 . 1 . . . . A 65 CYS HA . 34585 1 479 . 1 . 1 43 43 CYS HB2 H 1 2.618 0.020 . 2 . . . . A 65 CYS HB2 . 34585 1 480 . 1 . 1 43 43 CYS HB3 H 1 3.352 0.020 . 2 . . . . A 65 CYS HB3 . 34585 1 481 . 1 . 1 43 43 CYS C C 13 172.485 0.400 . 1 . . . . A 65 CYS C . 34585 1 482 . 1 . 1 43 43 CYS CA C 13 53.026 0.400 . 1 . . . . A 65 CYS CA . 34585 1 483 . 1 . 1 43 43 CYS CB C 13 33.005 0.400 . 1 . . . . A 65 CYS CB . 34585 1 484 . 1 . 1 43 43 CYS N N 15 127.318 0.400 . 1 . . . . A 65 CYS N . 34585 1 485 . 1 . 1 44 44 VAL H H 1 7.073 0.020 . 1 . . . . A 66 VAL H . 34585 1 486 . 1 . 1 44 44 VAL HA H 1 5.140 0.020 . 1 . . . . A 66 VAL HA . 34585 1 487 . 1 . 1 44 44 VAL HB H 1 1.957 0.020 . 1 . . . . A 66 VAL HB . 34585 1 488 . 1 . 1 44 44 VAL HG11 H 1 0.613 0.020 . 2 . . . . A 66 VAL HG11 . 34585 1 489 . 1 . 1 44 44 VAL HG12 H 1 0.613 0.020 . 2 . . . . A 66 VAL HG12 . 34585 1 490 . 1 . 1 44 44 VAL HG13 H 1 0.613 0.020 . 2 . . . . A 66 VAL HG13 . 34585 1 491 . 1 . 1 44 44 VAL HG21 H 1 0.697 0.020 . 2 . . . . A 66 VAL HG21 . 34585 1 492 . 1 . 1 44 44 VAL HG22 H 1 0.697 0.020 . 2 . . . . A 66 VAL HG22 . 34585 1 493 . 1 . 1 44 44 VAL HG23 H 1 0.697 0.020 . 2 . . . . A 66 VAL HG23 . 34585 1 494 . 1 . 1 44 44 VAL C C 13 174.880 0.400 . 1 . . . . A 66 VAL C . 34585 1 495 . 1 . 1 44 44 VAL CA C 13 57.930 0.400 . 1 . . . . A 66 VAL CA . 34585 1 496 . 1 . 1 44 44 VAL CB C 13 36.821 0.400 . 1 . . . . A 66 VAL CB . 34585 1 497 . 1 . 1 44 44 VAL CG1 C 13 22.002 0.400 . 2 . . . . A 66 VAL CG1 . 34585 1 498 . 1 . 1 44 44 VAL CG2 C 13 18.121 0.400 . 2 . . . . A 66 VAL CG2 . 34585 1 499 . 1 . 1 44 44 VAL N N 15 116.381 0.400 . 1 . . . . A 66 VAL N . 34585 1 500 . 1 . 1 45 45 ARG H H 1 8.638 0.020 . 1 . . . . A 67 ARG H . 34585 1 501 . 1 . 1 45 45 ARG HA H 1 4.683 0.020 . 1 . . . . A 67 ARG HA . 34585 1 502 . 1 . 1 45 45 ARG HB2 H 1 2.058 0.020 . 2 . . . . A 67 ARG HB2 . 34585 1 503 . 1 . 1 45 45 ARG HB3 H 1 2.354 0.020 . 2 . . . . A 67 ARG HB3 . 34585 1 504 . 1 . 1 45 45 ARG HG2 H 1 2.086 0.020 . 2 . . . . A 67 ARG HG2 . 34585 1 505 . 1 . 1 45 45 ARG HG3 H 1 1.984 0.020 . 2 . . . . A 67 ARG HG3 . 34585 1 506 . 1 . 1 45 45 ARG HD2 H 1 3.451 0.020 . 2 . . . . A 67 ARG HD2 . 34585 1 507 . 1 . 1 45 45 ARG HD3 H 1 3.322 0.020 . 2 . . . . A 67 ARG HD3 . 34585 1 508 . 1 . 1 45 45 ARG HE H 1 8.472 0.020 . 1 . . . . A 67 ARG HE . 34585 1 509 . 1 . 1 45 45 ARG C C 13 177.910 0.400 . 1 . . . . A 67 ARG C . 34585 1 510 . 1 . 1 45 45 ARG CA C 13 55.044 0.400 . 1 . . . . A 67 ARG CA . 34585 1 511 . 1 . 1 45 45 ARG CB C 13 31.839 0.400 . 1 . . . . A 67 ARG CB . 34585 1 512 . 1 . 1 45 45 ARG CG C 13 27.115 0.400 . 1 . . . . A 67 ARG CG . 34585 1 513 . 1 . 1 45 45 ARG CD C 13 44.248 0.400 . 1 . . . . A 67 ARG CD . 34585 1 514 . 1 . 1 45 45 ARG N N 15 119.445 0.400 . 1 . . . . A 67 ARG N . 34585 1 515 . 1 . 1 45 45 ARG NE N 15 86.173 0.400 . 1 . . . . A 67 ARG NE . 34585 1 516 . 1 . 1 46 46 ALA H H 1 8.423 0.020 . 1 . . . . A 68 ALA H . 34585 1 517 . 1 . 1 46 46 ALA HA H 1 4.139 0.020 . 1 . . . . A 68 ALA HA . 34585 1 518 . 1 . 1 46 46 ALA HB1 H 1 1.501 0.020 . 1 . . . . A 68 ALA HB1 . 34585 1 519 . 1 . 1 46 46 ALA HB2 H 1 1.501 0.020 . 1 . . . . A 68 ALA HB2 . 34585 1 520 . 1 . 1 46 46 ALA HB3 H 1 1.501 0.020 . 1 . . . . A 68 ALA HB3 . 34585 1 521 . 1 . 1 46 46 ALA C C 13 178.144 0.400 . 1 . . . . A 68 ALA C . 34585 1 522 . 1 . 1 46 46 ALA CA C 13 55.821 0.400 . 1 . . . . A 68 ALA CA . 34585 1 523 . 1 . 1 46 46 ALA CB C 13 18.737 0.400 . 1 . . . . A 68 ALA CB . 34585 1 524 . 1 . 1 46 46 ALA N N 15 122.720 0.400 . 1 . . . . A 68 ALA N . 34585 1 525 . 1 . 1 47 47 ASP H H 1 7.912 0.020 . 1 . . . . A 69 ASP H . 34585 1 526 . 1 . 1 47 47 ASP HA H 1 4.545 0.020 . 1 . . . . A 69 ASP HA . 34585 1 527 . 1 . 1 47 47 ASP HB2 H 1 2.647 0.020 . 2 . . . . A 69 ASP HB2 . 34585 1 528 . 1 . 1 47 47 ASP HB3 H 1 3.129 0.020 . 2 . . . . A 69 ASP HB3 . 34585 1 529 . 1 . 1 47 47 ASP C C 13 177.349 0.400 . 1 . . . . A 69 ASP C . 34585 1 530 . 1 . 1 47 47 ASP CA C 13 53.427 0.400 . 1 . . . . A 69 ASP CA . 34585 1 531 . 1 . 1 47 47 ASP CB C 13 39.903 0.400 . 1 . . . . A 69 ASP CB . 34585 1 532 . 1 . 1 47 47 ASP N N 15 114.034 0.400 . 1 . . . . A 69 ASP N . 34585 1 533 . 1 . 1 48 48 GLY H H 1 8.316 0.020 . 1 . . . . A 70 GLY H . 34585 1 534 . 1 . 1 48 48 GLY HA2 H 1 3.448 0.020 . 2 . . . . A 70 GLY HA2 . 34585 1 535 . 1 . 1 48 48 GLY HA3 H 1 4.309 0.020 . 2 . . . . A 70 GLY HA3 . 34585 1 536 . 1 . 1 48 48 GLY C C 13 173.889 0.400 . 1 . . . . A 70 GLY C . 34585 1 537 . 1 . 1 48 48 GLY CA C 13 45.020 0.400 . 1 . . . . A 70 GLY CA . 34585 1 538 . 1 . 1 48 48 GLY N N 15 108.117 0.400 . 1 . . . . A 70 GLY N . 34585 1 539 . 1 . 1 49 49 TYR H H 1 7.667 0.020 . 1 . . . . A 71 TYR H . 34585 1 540 . 1 . 1 49 49 TYR HA H 1 4.198 0.020 . 1 . . . . A 71 TYR HA . 34585 1 541 . 1 . 1 49 49 TYR HB2 H 1 2.913 0.020 . 2 . . . . A 71 TYR HB2 . 34585 1 542 . 1 . 1 49 49 TYR HB3 H 1 3.016 0.020 . 2 . . . . A 71 TYR HB3 . 34585 1 543 . 1 . 1 49 49 TYR HD1 H 1 7.115 0.020 . 1 . . . . A 71 TYR HD1 . 34585 1 544 . 1 . 1 49 49 TYR HD2 H 1 7.116 0.020 . 1 . . . . A 71 TYR HD2 . 34585 1 545 . 1 . 1 49 49 TYR HE1 H 1 6.853 0.020 . 1 . . . . A 71 TYR HE1 . 34585 1 546 . 1 . 1 49 49 TYR HE2 H 1 6.853 0.020 . 1 . . . . A 71 TYR HE2 . 34585 1 547 . 1 . 1 49 49 TYR C C 13 175.713 0.400 . 1 . . . . A 71 TYR C . 34585 1 548 . 1 . 1 49 49 TYR CA C 13 59.768 0.400 . 1 . . . . A 71 TYR CA . 34585 1 549 . 1 . 1 49 49 TYR CB C 13 38.704 0.400 . 1 . . . . A 71 TYR CB . 34585 1 550 . 1 . 1 49 49 TYR CD1 C 13 133.727 0.400 . 3 . . . . A 71 TYR CD1 . 34585 1 551 . 1 . 1 49 49 TYR CD2 C 13 133.727 0.400 . 3 . . . . A 71 TYR CD2 . 34585 1 552 . 1 . 1 49 49 TYR CE1 C 13 118.164 0.400 . 3 . . . . A 71 TYR CE1 . 34585 1 553 . 1 . 1 49 49 TYR CE2 C 13 118.159 0.400 . 3 . . . . A 71 TYR CE2 . 34585 1 554 . 1 . 1 49 49 TYR N N 15 122.544 0.400 . 1 . . . . A 71 TYR N . 34585 1 555 . 1 . 1 50 50 GLN H H 1 7.851 0.020 . 1 . . . . A 72 GLN H . 34585 1 556 . 1 . 1 50 50 GLN HA H 1 4.452 0.020 . 1 . . . . A 72 GLN HA . 34585 1 557 . 1 . 1 50 50 GLN HB2 H 1 1.476 0.020 . 2 . . . . A 72 GLN HB2 . 34585 1 558 . 1 . 1 50 50 GLN HB3 H 1 1.847 0.020 . 2 . . . . A 72 GLN HB3 . 34585 1 559 . 1 . 1 50 50 GLN HG2 H 1 1.637 0.020 . 2 . . . . A 72 GLN HG2 . 34585 1 560 . 1 . 1 50 50 GLN HG3 H 1 2.389 0.020 . 2 . . . . A 72 GLN HG3 . 34585 1 561 . 1 . 1 50 50 GLN HE21 H 1 6.824 0.020 . 2 . . . . A 72 GLN HE21 . 34585 1 562 . 1 . 1 50 50 GLN HE22 H 1 7.208 0.020 . 2 . . . . A 72 GLN HE22 . 34585 1 563 . 1 . 1 50 50 GLN C C 13 175.692 0.400 . 1 . . . . A 72 GLN C . 34585 1 564 . 1 . 1 50 50 GLN CA C 13 57.094 0.400 . 1 . . . . A 72 GLN CA . 34585 1 565 . 1 . 1 50 50 GLN CB C 13 31.020 0.400 . 1 . . . . A 72 GLN CB . 34585 1 566 . 1 . 1 50 50 GLN CG C 13 35.191 0.400 . 1 . . . . A 72 GLN CG . 34585 1 567 . 1 . 1 50 50 GLN N N 15 124.799 0.400 . 1 . . . . A 72 GLN N . 34585 1 568 . 1 . 1 50 50 GLN NE2 N 15 110.458 0.400 . 1 . . . . A 72 GLN NE2 . 34585 1 569 . 1 . 1 51 51 GLU H H 1 7.685 0.020 . 1 . . . . A 73 GLU H . 34585 1 570 . 1 . 1 51 51 GLU HA H 1 4.843 0.020 . 1 . . . . A 73 GLU HA . 34585 1 571 . 1 . 1 51 51 GLU HB2 H 1 1.828 0.020 . 2 . . . . A 73 GLU HB2 . 34585 1 572 . 1 . 1 51 51 GLU HB3 H 1 1.958 0.020 . 2 . . . . A 73 GLU HB3 . 34585 1 573 . 1 . 1 51 51 GLU HG2 H 1 2.339 0.020 . 2 . . . . A 73 GLU HG2 . 34585 1 574 . 1 . 1 51 51 GLU HG3 H 1 2.428 0.020 . 2 . . . . A 73 GLU HG3 . 34585 1 575 . 1 . 1 51 51 GLU C C 13 174.119 0.400 . 1 . . . . A 73 GLU C . 34585 1 576 . 1 . 1 51 51 GLU CA C 13 54.304 0.400 . 1 . . . . A 73 GLU CA . 34585 1 577 . 1 . 1 51 51 GLU CB C 13 24.777 0.400 . 1 . . . . A 73 GLU CB . 34585 1 578 . 1 . 1 51 51 GLU N N 15 120.960 0.400 . 1 . . . . A 73 GLU N . 34585 1 579 . 1 . 1 52 52 SER H H 1 7.987 0.020 . 1 . . . . A 74 SER H . 34585 1 580 . 1 . 1 52 52 SER HA H 1 5.664 0.020 . 1 . . . . A 74 SER HA . 34585 1 581 . 1 . 1 52 52 SER HB2 H 1 3.565 0.020 . 2 . . . . A 74 SER HB2 . 34585 1 582 . 1 . 1 52 52 SER HB3 H 1 3.632 0.020 . 2 . . . . A 74 SER HB3 . 34585 1 583 . 1 . 1 52 52 SER C C 13 173.101 0.400 . 1 . . . . A 74 SER C . 34585 1 584 . 1 . 1 52 52 SER CA C 13 58.462 0.400 . 1 . . . . A 74 SER CA . 34585 1 585 . 1 . 1 52 52 SER CB C 13 66.612 0.400 . 1 . . . . A 74 SER CB . 34585 1 586 . 1 . 1 52 52 SER N N 15 113.469 0.400 . 1 . . . . A 74 SER N . 34585 1 587 . 1 . 1 53 53 MET H H 1 9.193 0.020 . 1 . . . . A 75 MET H . 34585 1 588 . 1 . 1 53 53 MET HA H 1 5.553 0.020 . 1 . . . . A 75 MET HA . 34585 1 589 . 1 . 1 53 53 MET HB2 H 1 1.882 0.020 . 2 . . . . A 75 MET HB2 . 34585 1 590 . 1 . 1 53 53 MET HB3 H 1 2.095 0.020 . 2 . . . . A 75 MET HB3 . 34585 1 591 . 1 . 1 53 53 MET HG2 H 1 2.531 0.020 . 2 . . . . A 75 MET HG2 . 34585 1 592 . 1 . 1 53 53 MET HG3 H 1 2.799 0.020 . 2 . . . . A 75 MET HG3 . 34585 1 593 . 1 . 1 53 53 MET HE1 H 1 1.802 0.020 . 1 . . . . A 75 MET HE1 . 34585 1 594 . 1 . 1 53 53 MET HE2 H 1 1.802 0.020 . 1 . . . . A 75 MET HE2 . 34585 1 595 . 1 . 1 53 53 MET HE3 H 1 1.802 0.020 . 1 . . . . A 75 MET HE3 . 34585 1 596 . 1 . 1 53 53 MET C C 13 175.289 0.400 . 1 . . . . A 75 MET C . 34585 1 597 . 1 . 1 53 53 MET CA C 13 52.535 0.400 . 1 . . . . A 75 MET CA . 34585 1 598 . 1 . 1 53 53 MET CB C 13 31.404 0.400 . 1 . . . . A 75 MET CB . 34585 1 599 . 1 . 1 53 53 MET CG C 13 31.995 0.400 . 1 . . . . A 75 MET CG . 34585 1 600 . 1 . 1 53 53 MET CE C 13 15.784 0.400 . 1 . . . . A 75 MET CE . 34585 1 601 . 1 . 1 53 53 MET N N 15 118.842 0.400 . 1 . . . . A 75 MET N . 34585 1 602 . 1 . 1 54 54 VAL H H 1 9.115 0.020 . 1 . . . . A 76 VAL H . 34585 1 603 . 1 . 1 54 54 VAL HA H 1 4.619 0.020 . 1 . . . . A 76 VAL HA . 34585 1 604 . 1 . 1 54 54 VAL HB H 1 1.150 0.020 . 1 . . . . A 76 VAL HB . 34585 1 605 . 1 . 1 54 54 VAL HG11 H 1 0.606 0.020 . 2 . . . . A 76 VAL HG11 . 34585 1 606 . 1 . 1 54 54 VAL HG12 H 1 0.606 0.020 . 2 . . . . A 76 VAL HG12 . 34585 1 607 . 1 . 1 54 54 VAL HG13 H 1 0.606 0.020 . 2 . . . . A 76 VAL HG13 . 34585 1 608 . 1 . 1 54 54 VAL HG21 H 1 0.818 0.020 . 2 . . . . A 76 VAL HG21 . 34585 1 609 . 1 . 1 54 54 VAL HG22 H 1 0.818 0.020 . 2 . . . . A 76 VAL HG22 . 34585 1 610 . 1 . 1 54 54 VAL HG23 H 1 0.818 0.020 . 2 . . . . A 76 VAL HG23 . 34585 1 611 . 1 . 1 54 54 VAL C C 13 175.037 0.400 . 1 . . . . A 76 VAL C . 34585 1 612 . 1 . 1 54 54 VAL CA C 13 61.280 0.400 . 1 . . . . A 76 VAL CA . 34585 1 613 . 1 . 1 54 54 VAL CB C 13 34.924 0.400 . 1 . . . . A 76 VAL CB . 34585 1 614 . 1 . 1 54 54 VAL CG1 C 13 20.765 0.400 . 2 . . . . A 76 VAL CG1 . 34585 1 615 . 1 . 1 54 54 VAL CG2 C 13 21.788 0.400 . 2 . . . . A 76 VAL CG2 . 34585 1 616 . 1 . 1 54 54 VAL N N 15 126.878 0.400 . 1 . . . . A 76 VAL N . 34585 1 617 . 1 . 1 55 55 THR H H 1 8.201 0.020 . 1 . . . . A 77 THR H . 34585 1 618 . 1 . 1 55 55 THR HA H 1 5.379 0.020 . 1 . . . . A 77 THR HA . 34585 1 619 . 1 . 1 55 55 THR HB H 1 3.254 0.020 . 1 . . . . A 77 THR HB . 34585 1 620 . 1 . 1 55 55 THR HG21 H 1 0.839 0.020 . 1 . . . . A 77 THR HG21 . 34585 1 621 . 1 . 1 55 55 THR HG22 H 1 0.839 0.020 . 1 . . . . A 77 THR HG22 . 34585 1 622 . 1 . 1 55 55 THR HG23 H 1 0.839 0.020 . 1 . . . . A 77 THR HG23 . 34585 1 623 . 1 . 1 55 55 THR C C 13 173.499 0.400 . 1 . . . . A 77 THR C . 34585 1 624 . 1 . 1 55 55 THR CA C 13 61.365 0.400 . 1 . . . . A 77 THR CA . 34585 1 625 . 1 . 1 55 55 THR CB C 13 71.983 0.400 . 1 . . . . A 77 THR CB . 34585 1 626 . 1 . 1 55 55 THR CG2 C 13 21.594 0.400 . 1 . . . . A 77 THR CG2 . 34585 1 627 . 1 . 1 55 55 THR N N 15 120.149 0.400 . 1 . . . . A 77 THR N . 34585 1 628 . 1 . 1 56 56 ARG H H 1 9.398 0.020 . 1 . . . . A 78 ARG H . 34585 1 629 . 1 . 1 56 56 ARG HA H 1 5.002 0.020 . 1 . . . . A 78 ARG HA . 34585 1 630 . 1 . 1 56 56 ARG HB2 H 1 1.688 0.020 . 2 . . . . A 78 ARG HB2 . 34585 1 631 . 1 . 1 56 56 ARG HB3 H 1 1.769 0.020 . 2 . . . . A 78 ARG HB3 . 34585 1 632 . 1 . 1 56 56 ARG HG2 H 1 1.554 0.020 . 2 . . . . A 78 ARG HG2 . 34585 1 633 . 1 . 1 56 56 ARG HG3 H 1 1.552 0.020 . 2 . . . . A 78 ARG HG3 . 34585 1 634 . 1 . 1 56 56 ARG HD2 H 1 3.250 0.020 . 2 . . . . A 78 ARG HD2 . 34585 1 635 . 1 . 1 56 56 ARG HD3 H 1 3.428 0.020 . 2 . . . . A 78 ARG HD3 . 34585 1 636 . 1 . 1 56 56 ARG HE H 1 7.213 0.020 . 1 . . . . A 78 ARG HE . 34585 1 637 . 1 . 1 56 56 ARG C C 13 174.357 0.400 . 1 . . . . A 78 ARG C . 34585 1 638 . 1 . 1 56 56 ARG CA C 13 54.735 0.400 . 1 . . . . A 78 ARG CA . 34585 1 639 . 1 . 1 56 56 ARG CB C 13 34.188 0.400 . 1 . . . . A 78 ARG CB . 34585 1 640 . 1 . 1 56 56 ARG CG C 13 27.687 0.400 . 1 . . . . A 78 ARG CG . 34585 1 641 . 1 . 1 56 56 ARG CD C 13 44.058 0.400 . 1 . . . . A 78 ARG CD . 34585 1 642 . 1 . 1 56 56 ARG N N 15 126.436 0.400 . 1 . . . . A 78 ARG N . 34585 1 643 . 1 . 1 56 56 ARG NE N 15 83.701 0.400 . 1 . . . . A 78 ARG NE . 34585 1 644 . 1 . 1 57 57 VAL H H 1 9.033 0.020 . 1 . . . . A 79 VAL H . 34585 1 645 . 1 . 1 57 57 VAL HA H 1 4.853 0.020 . 1 . . . . A 79 VAL HA . 34585 1 646 . 1 . 1 57 57 VAL HB H 1 1.858 0.020 . 1 . . . . A 79 VAL HB . 34585 1 647 . 1 . 1 57 57 VAL HG11 H 1 0.858 0.020 . 2 . . . . A 79 VAL HG11 . 34585 1 648 . 1 . 1 57 57 VAL HG12 H 1 0.858 0.020 . 2 . . . . A 79 VAL HG12 . 34585 1 649 . 1 . 1 57 57 VAL HG13 H 1 0.858 0.020 . 2 . . . . A 79 VAL HG13 . 34585 1 650 . 1 . 1 57 57 VAL HG21 H 1 0.275 0.020 . 2 . . . . A 79 VAL HG21 . 34585 1 651 . 1 . 1 57 57 VAL HG22 H 1 0.275 0.020 . 2 . . . . A 79 VAL HG22 . 34585 1 652 . 1 . 1 57 57 VAL HG23 H 1 0.275 0.020 . 2 . . . . A 79 VAL HG23 . 34585 1 653 . 1 . 1 57 57 VAL C C 13 174.404 0.400 . 1 . . . . A 79 VAL C . 34585 1 654 . 1 . 1 57 57 VAL CA C 13 61.314 0.400 . 1 . . . . A 79 VAL CA . 34585 1 655 . 1 . 1 57 57 VAL CB C 13 32.712 0.400 . 1 . . . . A 79 VAL CB . 34585 1 656 . 1 . 1 57 57 VAL CG1 C 13 21.289 0.400 . 2 . . . . A 79 VAL CG1 . 34585 1 657 . 1 . 1 57 57 VAL CG2 C 13 21.440 0.400 . 2 . . . . A 79 VAL CG2 . 34585 1 658 . 1 . 1 57 57 VAL N N 15 121.622 0.400 . 1 . . . . A 79 VAL N . 34585 1 659 . 1 . 1 58 58 LEU H H 1 9.577 0.020 . 1 . . . . A 80 LEU H . 34585 1 660 . 1 . 1 58 58 LEU HA H 1 5.394 0.020 . 1 . . . . A 80 LEU HA . 34585 1 661 . 1 . 1 58 58 LEU HB2 H 1 1.704 0.020 . 2 . . . . A 80 LEU HB2 . 34585 1 662 . 1 . 1 58 58 LEU HB3 H 1 1.467 0.020 . 2 . . . . A 80 LEU HB3 . 34585 1 663 . 1 . 1 58 58 LEU HG H 1 1.580 0.020 . 1 . . . . A 80 LEU HG . 34585 1 664 . 1 . 1 58 58 LEU HD11 H 1 0.750 0.020 . 2 . . . . A 80 LEU HD11 . 34585 1 665 . 1 . 1 58 58 LEU HD12 H 1 0.750 0.020 . 2 . . . . A 80 LEU HD12 . 34585 1 666 . 1 . 1 58 58 LEU HD13 H 1 0.750 0.020 . 2 . . . . A 80 LEU HD13 . 34585 1 667 . 1 . 1 58 58 LEU HD21 H 1 0.844 0.020 . 2 . . . . A 80 LEU HD21 . 34585 1 668 . 1 . 1 58 58 LEU HD22 H 1 0.844 0.020 . 2 . . . . A 80 LEU HD22 . 34585 1 669 . 1 . 1 58 58 LEU HD23 H 1 0.844 0.020 . 2 . . . . A 80 LEU HD23 . 34585 1 670 . 1 . 1 58 58 LEU C C 13 176.998 0.400 . 1 . . . . A 80 LEU C . 34585 1 671 . 1 . 1 58 58 LEU CA C 13 53.012 0.400 . 1 . . . . A 80 LEU CA . 34585 1 672 . 1 . 1 58 58 LEU CB C 13 44.994 0.400 . 1 . . . . A 80 LEU CB . 34585 1 673 . 1 . 1 58 58 LEU CG C 13 28.200 0.400 . 1 . . . . A 80 LEU CG . 34585 1 674 . 1 . 1 58 58 LEU CD1 C 13 23.608 0.400 . 2 . . . . A 80 LEU CD1 . 34585 1 675 . 1 . 1 58 58 LEU CD2 C 13 25.287 0.400 . 2 . . . . A 80 LEU CD2 . 34585 1 676 . 1 . 1 58 58 LEU N N 15 129.240 0.400 . 1 . . . . A 80 LEU N . 34585 1 677 . 1 . 1 59 59 ASP H H 1 8.729 0.020 . 1 . . . . A 81 ASP H . 34585 1 678 . 1 . 1 59 59 ASP HA H 1 4.533 0.020 . 1 . . . . A 81 ASP HA . 34585 1 679 . 1 . 1 59 59 ASP HB2 H 1 2.724 0.020 . 2 . . . . A 81 ASP HB2 . 34585 1 680 . 1 . 1 59 59 ASP HB3 H 1 3.209 0.020 . 2 . . . . A 81 ASP HB3 . 34585 1 681 . 1 . 1 59 59 ASP C C 13 177.184 0.400 . 1 . . . . A 81 ASP C . 34585 1 682 . 1 . 1 59 59 ASP CA C 13 52.210 0.400 . 1 . . . . A 81 ASP CA . 34585 1 683 . 1 . 1 59 59 ASP CB C 13 41.220 0.400 . 1 . . . . A 81 ASP CB . 34585 1 684 . 1 . 1 59 59 ASP N N 15 119.522 0.400 . 1 . . . . A 81 ASP N . 34585 1 685 . 1 . 1 60 60 ASP H H 1 8.365 0.020 . 1 . . . . A 82 ASP H . 34585 1 686 . 1 . 1 60 60 ASP HA H 1 4.241 0.020 . 1 . . . . A 82 ASP HA . 34585 1 687 . 1 . 1 60 60 ASP HB2 H 1 2.720 0.020 . 2 . . . . A 82 ASP HB2 . 34585 1 688 . 1 . 1 60 60 ASP HB3 H 1 2.833 0.020 . 2 . . . . A 82 ASP HB3 . 34585 1 689 . 1 . 1 60 60 ASP C C 13 176.281 0.400 . 1 . . . . A 82 ASP C . 34585 1 690 . 1 . 1 60 60 ASP CA C 13 55.512 0.400 . 1 . . . . A 82 ASP CA . 34585 1 691 . 1 . 1 60 60 ASP CB C 13 39.368 0.400 . 1 . . . . A 82 ASP CB . 34585 1 692 . 1 . 1 60 60 ASP N N 15 116.904 0.400 . 1 . . . . A 82 ASP N . 34585 1 693 . 1 . 1 61 61 LYS H H 1 8.024 0.020 . 1 . . . . A 83 LYS H . 34585 1 694 . 1 . 1 61 61 LYS HA H 1 4.390 0.020 . 1 . . . . A 83 LYS HA . 34585 1 695 . 1 . 1 61 61 LYS HB2 H 1 1.609 0.020 . 2 . . . . A 83 LYS HB2 . 34585 1 696 . 1 . 1 61 61 LYS HB3 H 1 1.845 0.020 . 2 . . . . A 83 LYS HB3 . 34585 1 697 . 1 . 1 61 61 LYS HG2 H 1 1.382 0.020 . 2 . . . . A 83 LYS HG2 . 34585 1 698 . 1 . 1 61 61 LYS HG3 H 1 1.421 0.020 . 2 . . . . A 83 LYS HG3 . 34585 1 699 . 1 . 1 61 61 LYS HD2 H 1 1.604 0.020 . 2 . . . . A 83 LYS HD2 . 34585 1 700 . 1 . 1 61 61 LYS HD3 H 1 1.620 0.020 . 2 . . . . A 83 LYS HD3 . 34585 1 701 . 1 . 1 61 61 LYS HE2 H 1 2.967 0.020 . 2 . . . . A 83 LYS HE2 . 34585 1 702 . 1 . 1 61 61 LYS HE3 H 1 2.969 0.020 . 2 . . . . A 83 LYS HE3 . 34585 1 703 . 1 . 1 61 61 LYS C C 13 177.012 0.400 . 1 . . . . A 83 LYS C . 34585 1 704 . 1 . 1 61 61 LYS CA C 13 54.905 0.400 . 1 . . . . A 83 LYS CA . 34585 1 705 . 1 . 1 61 61 LYS CB C 13 32.305 0.400 . 1 . . . . A 83 LYS CB . 34585 1 706 . 1 . 1 61 61 LYS CG C 13 24.868 0.400 . 1 . . . . A 83 LYS CG . 34585 1 707 . 1 . 1 61 61 LYS CD C 13 28.399 0.400 . 1 . . . . A 83 LYS CD . 34585 1 708 . 1 . 1 61 61 LYS CE C 13 42.309 0.400 . 1 . . . . A 83 LYS CE . 34585 1 709 . 1 . 1 61 61 LYS N N 15 119.449 0.400 . 1 . . . . A 83 LYS N . 34585 1 710 . 1 . 1 62 62 GLY H H 1 8.097 0.020 . 1 . . . . A 84 GLY H . 34585 1 711 . 1 . 1 62 62 GLY HA2 H 1 3.492 0.020 . 2 . . . . A 84 GLY HA2 . 34585 1 712 . 1 . 1 62 62 GLY HA3 H 1 4.145 0.020 . 2 . . . . A 84 GLY HA3 . 34585 1 713 . 1 . 1 62 62 GLY C C 13 173.921 0.400 . 1 . . . . A 84 GLY C . 34585 1 714 . 1 . 1 62 62 GLY CA C 13 45.383 0.400 . 1 . . . . A 84 GLY CA . 34585 1 715 . 1 . 1 62 62 GLY N N 15 107.678 0.400 . 1 . . . . A 84 GLY N . 34585 1 716 . 1 . 1 63 63 HIS H H 1 8.675 0.020 . 1 . . . . A 85 HIS H . 34585 1 717 . 1 . 1 63 63 HIS HA H 1 4.713 0.020 . 1 . . . . A 85 HIS HA . 34585 1 718 . 1 . 1 63 63 HIS HB2 H 1 3.235 0.020 . 2 . . . . A 85 HIS HB2 . 34585 1 719 . 1 . 1 63 63 HIS HB3 H 1 3.294 0.020 . 2 . . . . A 85 HIS HB3 . 34585 1 720 . 1 . 1 63 63 HIS HD2 H 1 7.162 0.020 . 1 . . . . A 85 HIS HD2 . 34585 1 721 . 1 . 1 63 63 HIS C C 13 174.648 0.400 . 1 . . . . A 85 HIS C . 34585 1 722 . 1 . 1 63 63 HIS CA C 13 54.326 0.400 . 1 . . . . A 85 HIS CA . 34585 1 723 . 1 . 1 63 63 HIS CB C 13 28.557 0.400 . 1 . . . . A 85 HIS CB . 34585 1 724 . 1 . 1 63 63 HIS CD2 C 13 119.785 0.400 . 1 . . . . A 85 HIS CD2 . 34585 1 725 . 1 . 1 63 63 HIS N N 15 120.855 0.400 . 1 . . . . A 85 HIS N . 34585 1 726 . 1 . 1 64 64 GLN H H 1 8.919 0.020 . 1 . . . . A 86 GLN H . 34585 1 727 . 1 . 1 64 64 GLN HA H 1 4.641 0.020 . 1 . . . . A 86 GLN HA . 34585 1 728 . 1 . 1 64 64 GLN HB2 H 1 1.964 0.020 . 2 . . . . A 86 GLN HB2 . 34585 1 729 . 1 . 1 64 64 GLN HB3 H 1 2.070 0.020 . 2 . . . . A 86 GLN HB3 . 34585 1 730 . 1 . 1 64 64 GLN HG2 H 1 1.990 0.020 . 2 . . . . A 86 GLN HG2 . 34585 1 731 . 1 . 1 64 64 GLN HG3 H 1 2.060 0.020 . 2 . . . . A 86 GLN HG3 . 34585 1 732 . 1 . 1 64 64 GLN HE21 H 1 7.648 0.020 . 2 . . . . A 86 GLN HE21 . 34585 1 733 . 1 . 1 64 64 GLN HE22 H 1 6.795 0.020 . 2 . . . . A 86 GLN HE22 . 34585 1 734 . 1 . 1 64 64 GLN C C 13 176.165 0.400 . 1 . . . . A 86 GLN C . 34585 1 735 . 1 . 1 64 64 GLN CA C 13 57.008 0.400 . 1 . . . . A 86 GLN CA . 34585 1 736 . 1 . 1 64 64 GLN CB C 13 30.068 0.400 . 1 . . . . A 86 GLN CB . 34585 1 737 . 1 . 1 64 64 GLN CG C 13 35.034 0.400 . 1 . . . . A 86 GLN CG . 34585 1 738 . 1 . 1 64 64 GLN N N 15 126.112 0.400 . 1 . . . . A 86 GLN N . 34585 1 739 . 1 . 1 64 64 GLN NE2 N 15 113.036 0.400 . 1 . . . . A 86 GLN NE2 . 34585 1 740 . 1 . 1 65 65 VAL H H 1 9.028 0.020 . 1 . . . . A 87 VAL H . 34585 1 741 . 1 . 1 65 65 VAL HA H 1 4.665 0.020 . 1 . . . . A 87 VAL HA . 34585 1 742 . 1 . 1 65 65 VAL HB H 1 2.511 0.020 . 1 . . . . A 87 VAL HB . 34585 1 743 . 1 . 1 65 65 VAL HG11 H 1 1.215 0.020 . 2 . . . . A 87 VAL HG11 . 34585 1 744 . 1 . 1 65 65 VAL HG12 H 1 1.215 0.020 . 2 . . . . A 87 VAL HG12 . 34585 1 745 . 1 . 1 65 65 VAL HG13 H 1 1.215 0.020 . 2 . . . . A 87 VAL HG13 . 34585 1 746 . 1 . 1 65 65 VAL HG21 H 1 0.496 0.020 . 2 . . . . A 87 VAL HG21 . 34585 1 747 . 1 . 1 65 65 VAL HG22 H 1 0.496 0.020 . 2 . . . . A 87 VAL HG22 . 34585 1 748 . 1 . 1 65 65 VAL HG23 H 1 0.496 0.020 . 2 . . . . A 87 VAL HG23 . 34585 1 749 . 1 . 1 65 65 VAL C C 13 175.160 0.400 . 1 . . . . A 87 VAL C . 34585 1 750 . 1 . 1 65 65 VAL CA C 13 61.000 0.400 . 1 . . . . A 87 VAL CA . 34585 1 751 . 1 . 1 65 65 VAL CB C 13 33.411 0.400 . 1 . . . . A 87 VAL CB . 34585 1 752 . 1 . 1 65 65 VAL CG1 C 13 22.635 0.400 . 2 . . . . A 87 VAL CG1 . 34585 1 753 . 1 . 1 65 65 VAL CG2 C 13 18.878 0.400 . 2 . . . . A 87 VAL CG2 . 34585 1 754 . 1 . 1 65 65 VAL N N 15 120.051 0.400 . 1 . . . . A 87 VAL N . 34585 1 755 . 1 . 1 66 66 TRP H H 1 7.588 0.020 . 1 . . . . A 88 TRP H . 34585 1 756 . 1 . 1 66 66 TRP HA H 1 4.546 0.020 . 1 . . . . A 88 TRP HA . 34585 1 757 . 1 . 1 66 66 TRP HB2 H 1 2.705 0.020 . 2 . . . . A 88 TRP HB2 . 34585 1 758 . 1 . 1 66 66 TRP HB3 H 1 3.671 0.020 . 2 . . . . A 88 TRP HB3 . 34585 1 759 . 1 . 1 66 66 TRP HD1 H 1 7.637 0.020 . 1 . . . . A 88 TRP HD1 . 34585 1 760 . 1 . 1 66 66 TRP HE1 H 1 10.391 0.020 . 1 . . . . A 88 TRP HE1 . 34585 1 761 . 1 . 1 66 66 TRP HE3 H 1 6.410 0.020 . 1 . . . . A 88 TRP HE3 . 34585 1 762 . 1 . 1 66 66 TRP HZ2 H 1 7.386 0.020 . 1 . . . . A 88 TRP HZ2 . 34585 1 763 . 1 . 1 66 66 TRP HZ3 H 1 6.083 0.020 . 1 . . . . A 88 TRP HZ3 . 34585 1 764 . 1 . 1 66 66 TRP HH2 H 1 6.376 0.020 . 1 . . . . A 88 TRP HH2 . 34585 1 765 . 1 . 1 66 66 TRP C C 13 173.898 0.400 . 1 . . . . A 88 TRP C . 34585 1 766 . 1 . 1 66 66 TRP CA C 13 60.170 0.400 . 1 . . . . A 88 TRP CA . 34585 1 767 . 1 . 1 66 66 TRP CB C 13 32.707 0.400 . 1 . . . . A 88 TRP CB . 34585 1 768 . 1 . 1 66 66 TRP CD1 C 13 127.753 0.400 . 1 . . . . A 88 TRP CD1 . 34585 1 769 . 1 . 1 66 66 TRP CE3 C 13 122.9 0.400 . 1 . . . . A 88 TRP CE3 . 34585 1 770 . 1 . 1 66 66 TRP CZ2 C 13 114.632 0.400 . 1 . . . . A 88 TRP CZ2 . 34585 1 771 . 1 . 1 66 66 TRP CZ3 C 13 121.2 0.400 . 1 . . . . A 88 TRP CZ3 . 34585 1 772 . 1 . 1 66 66 TRP CH2 C 13 127.661 0.400 . 1 . . . . A 88 TRP CH2 . 34585 1 773 . 1 . 1 66 66 TRP N N 15 120.444 0.400 . 1 . . . . A 88 TRP N . 34585 1 774 . 1 . 1 66 66 TRP NE1 N 15 130.362 0.400 . 1 . . . . A 88 TRP NE1 . 34585 1 775 . 1 . 1 67 67 THR H H 1 7.003 0.020 . 1 . . . . A 89 THR H . 34585 1 776 . 1 . 1 67 67 THR HA H 1 3.841 0.020 . 1 . . . . A 89 THR HA . 34585 1 777 . 1 . 1 67 67 THR HB H 1 3.838 0.020 . 1 . . . . A 89 THR HB . 34585 1 778 . 1 . 1 67 67 THR HG21 H 1 0.763 0.020 . 1 . . . . A 89 THR HG21 . 34585 1 779 . 1 . 1 67 67 THR HG22 H 1 0.763 0.020 . 1 . . . . A 89 THR HG22 . 34585 1 780 . 1 . 1 67 67 THR HG23 H 1 0.763 0.020 . 1 . . . . A 89 THR HG23 . 34585 1 781 . 1 . 1 67 67 THR C C 13 181.003 0.400 . 1 . . . . A 89 THR C . 34585 1 782 . 1 . 1 67 67 THR CA C 13 69.955 0.400 . 1 . . . . A 89 THR CA . 34585 1 783 . 1 . 1 67 67 THR CB C 13 69.911 0.400 . 1 . . . . A 89 THR CB . 34585 1 784 . 1 . 1 67 67 THR CG2 C 13 19.151 0.400 . 1 . . . . A 89 THR CG2 . 34585 1 785 . 1 . 1 67 67 THR N N 15 120.231 0.400 . 1 . . . . A 89 THR N . 34585 1 786 . 1 . 1 68 68 GLY H H 1 7.793 0.020 . 1 . . . . A 90 GLY H . 34585 1 787 . 1 . 1 68 68 GLY HA2 H 1 2.787 0.020 . 2 . . . . A 90 GLY HA2 . 34585 1 788 . 1 . 1 68 68 GLY HA3 H 1 3.955 0.020 . 2 . . . . A 90 GLY HA3 . 34585 1 789 . 1 . 1 68 68 GLY C C 13 170.986 0.400 . 1 . . . . A 90 GLY C . 34585 1 790 . 1 . 1 68 68 GLY CA C 13 45.115 0.400 . 1 . . . . A 90 GLY CA . 34585 1 791 . 1 . 1 68 68 GLY N N 15 112.895 0.400 . 1 . . . . A 90 GLY N . 34585 1 792 . 1 . 1 69 69 THR H H 1 8.338 0.020 . 1 . . . . A 91 THR H . 34585 1 793 . 1 . 1 69 69 THR HA H 1 5.338 0.020 . 1 . . . . A 91 THR HA . 34585 1 794 . 1 . 1 69 69 THR HB H 1 3.941 0.020 . 1 . . . . A 91 THR HB . 34585 1 795 . 1 . 1 69 69 THR HG21 H 1 1.156 0.020 . 1 . . . . A 91 THR HG21 . 34585 1 796 . 1 . 1 69 69 THR HG22 H 1 1.156 0.020 . 1 . . . . A 91 THR HG22 . 34585 1 797 . 1 . 1 69 69 THR HG23 H 1 1.156 0.020 . 1 . . . . A 91 THR HG23 . 34585 1 798 . 1 . 1 69 69 THR C C 13 173.371 0.400 . 1 . . . . A 91 THR C . 34585 1 799 . 1 . 1 69 69 THR CA C 13 61.190 0.400 . 1 . . . . A 91 THR CA . 34585 1 800 . 1 . 1 69 69 THR CB C 13 71.907 0.400 . 1 . . . . A 91 THR CB . 34585 1 801 . 1 . 1 69 69 THR CG2 C 13 22.032 0.400 . 1 . . . . A 91 THR CG2 . 34585 1 802 . 1 . 1 69 69 THR N N 15 114.761 0.400 . 1 . . . . A 91 THR N . 34585 1 803 . 1 . 1 70 70 PHE H H 1 9.815 0.020 . 1 . . . . A 92 PHE H . 34585 1 804 . 1 . 1 70 70 PHE HA H 1 4.906 0.020 . 1 . . . . A 92 PHE HA . 34585 1 805 . 1 . 1 70 70 PHE HB2 H 1 2.773 0.020 . 2 . . . . A 92 PHE HB2 . 34585 1 806 . 1 . 1 70 70 PHE HB3 H 1 2.918 0.020 . 2 . . . . A 92 PHE HB3 . 34585 1 807 . 1 . 1 70 70 PHE HD1 H 1 7.020 0.020 . 1 . . . . A 92 PHE HD1 . 34585 1 808 . 1 . 1 70 70 PHE HD2 H 1 7.022 0.020 . 1 . . . . A 92 PHE HD2 . 34585 1 809 . 1 . 1 70 70 PHE HE1 H 1 7.114 0.020 . 1 . . . . A 92 PHE HE1 . 34585 1 810 . 1 . 1 70 70 PHE HE2 H 1 7.114 0.020 . 1 . . . . A 92 PHE HE2 . 34585 1 811 . 1 . 1 70 70 PHE C C 13 173.420 0.400 . 1 . . . . A 92 PHE C . 34585 1 812 . 1 . 1 70 70 PHE CA C 13 56.749 0.400 . 1 . . . . A 92 PHE CA . 34585 1 813 . 1 . 1 70 70 PHE CB C 13 43.197 0.400 . 1 . . . . A 92 PHE CB . 34585 1 814 . 1 . 1 70 70 PHE CD1 C 13 131.406 0.400 . 3 . . . . A 92 PHE CD1 . 34585 1 815 . 1 . 1 70 70 PHE CD2 C 13 131.459 0.400 . 3 . . . . A 92 PHE CD2 . 34585 1 816 . 1 . 1 70 70 PHE CE1 C 13 131.163 0.400 . 3 . . . . A 92 PHE CE1 . 34585 1 817 . 1 . 1 70 70 PHE CE2 C 13 131.164 0.400 . 3 . . . . A 92 PHE CE2 . 34585 1 818 . 1 . 1 70 70 PHE N N 15 127.952 0.400 . 1 . . . . A 92 PHE N . 34585 1 819 . 1 . 1 71 71 ASP H H 1 8.303 0.020 . 1 . . . . A 93 ASP H . 34585 1 820 . 1 . 1 71 71 ASP HA H 1 4.613 0.020 . 1 . . . . A 93 ASP HA . 34585 1 821 . 1 . 1 71 71 ASP HB2 H 1 2.604 0.020 . 2 . . . . A 93 ASP HB2 . 34585 1 822 . 1 . 1 71 71 ASP HB3 H 1 2.547 0.020 . 2 . . . . A 93 ASP HB3 . 34585 1 823 . 1 . 1 71 71 ASP C C 13 176.688 0.400 . 1 . . . . A 93 ASP C . 34585 1 824 . 1 . 1 71 71 ASP CA C 13 53.694 0.400 . 1 . . . . A 93 ASP CA . 34585 1 825 . 1 . 1 71 71 ASP CB C 13 40.434 0.400 . 1 . . . . A 93 ASP CB . 34585 1 826 . 1 . 1 71 71 ASP N N 15 128.061 0.400 . 1 . . . . A 93 ASP N . 34585 1 827 . 1 . 1 72 72 GLU H H 1 8.555 0.020 . 1 . . . . A 94 GLU H . 34585 1 828 . 1 . 1 72 72 GLU HA H 1 3.855 0.020 . 1 . . . . A 94 GLU HA . 34585 1 829 . 1 . 1 72 72 GLU HB2 H 1 1.445 0.020 . 2 . . . . A 94 GLU HB2 . 34585 1 830 . 1 . 1 72 72 GLU HG2 H 1 1.831 0.020 . 2 . . . . A 94 GLU HG2 . 34585 1 831 . 1 . 1 72 72 GLU C C 13 176.596 0.400 . 1 . . . . A 94 GLU C . 34585 1 832 . 1 . 1 72 72 GLU CA C 13 58.390 0.400 . 1 . . . . A 94 GLU CA . 34585 1 833 . 1 . 1 72 72 GLU CB C 13 27.588 0.400 . 1 . . . . A 94 GLU CB . 34585 1 834 . 1 . 1 72 72 GLU CG C 13 32.703 0.400 . 1 . . . . A 94 GLU CG . 34585 1 835 . 1 . 1 72 72 GLU N N 15 125.419 0.400 . 1 . . . . A 94 GLU N . 34585 1 836 . 1 . 1 73 73 SER H H 1 8.227 0.020 . 1 . . . . A 95 SER H . 34585 1 837 . 1 . 1 73 73 SER HA H 1 4.055 0.020 . 1 . . . . A 95 SER HA . 34585 1 838 . 1 . 1 73 73 SER HB2 H 1 3.845 0.020 . 2 . . . . A 95 SER HB2 . 34585 1 839 . 1 . 1 73 73 SER HB3 H 1 4.602 0.020 . 2 . . . . A 95 SER HB3 . 34585 1 840 . 1 . 1 73 73 SER C C 13 175.303 0.400 . 1 . . . . A 95 SER C . 34585 1 841 . 1 . 1 73 73 SER CA C 13 60.832 0.400 . 1 . . . . A 95 SER CA . 34585 1 842 . 1 . 1 73 73 SER CB C 13 63.070 0.400 . 1 . . . . A 95 SER CB . 34585 1 843 . 1 . 1 73 73 SER N N 15 112.332 0.400 . 1 . . . . A 95 SER N . 34585 1 844 . 1 . 1 74 74 LYS H H 1 6.897 0.020 . 1 . . . . A 96 LYS H . 34585 1 845 . 1 . 1 74 74 LYS HA H 1 4.112 0.020 . 1 . . . . A 96 LYS HA . 34585 1 846 . 1 . 1 74 74 LYS HB2 H 1 1.860 0.020 . 2 . . . . A 96 LYS HB2 . 34585 1 847 . 1 . 1 74 74 LYS HB3 H 1 1.623 0.020 . 2 . . . . A 96 LYS HB3 . 34585 1 848 . 1 . 1 74 74 LYS HG2 H 1 1.283 0.020 . 2 . . . . A 96 LYS HG2 . 34585 1 849 . 1 . 1 74 74 LYS HG3 H 1 1.386 0.020 . 2 . . . . A 96 LYS HG3 . 34585 1 850 . 1 . 1 74 74 LYS HD2 H 1 1.603 0.020 . 2 . . . . A 96 LYS HD2 . 34585 1 851 . 1 . 1 74 74 LYS HD3 H 1 1.603 0.020 . 2 . . . . A 96 LYS HD3 . 34585 1 852 . 1 . 1 74 74 LYS HE2 H 1 2.949 0.020 . 2 . . . . A 96 LYS HE2 . 34585 1 853 . 1 . 1 74 74 LYS HE3 H 1 2.958 0.020 . 2 . . . . A 96 LYS HE3 . 34585 1 854 . 1 . 1 74 74 LYS C C 13 176.608 0.400 . 1 . . . . A 96 LYS C . 34585 1 855 . 1 . 1 74 74 LYS CA C 13 56.499 0.400 . 1 . . . . A 96 LYS CA . 34585 1 856 . 1 . 1 74 74 LYS CB C 13 31.968 0.400 . 1 . . . . A 96 LYS CB . 34585 1 857 . 1 . 1 74 74 LYS CG C 13 24.915 0.400 . 1 . . . . A 96 LYS CG . 34585 1 858 . 1 . 1 74 74 LYS CD C 13 28.401 0.400 . 1 . . . . A 96 LYS CD . 34585 1 859 . 1 . 1 74 74 LYS CE C 13 42.287 0.400 . 1 . . . . A 96 LYS CE . 34585 1 860 . 1 . 1 74 74 LYS N N 15 119.603 0.400 . 1 . . . . A 96 LYS N . 34585 1 861 . 1 . 1 75 75 LEU H H 1 7.435 0.020 . 1 . . . . A 97 LEU H . 34585 1 862 . 1 . 1 75 75 LEU HA H 1 4.491 0.020 . 1 . . . . A 97 LEU HA . 34585 1 863 . 1 . 1 75 75 LEU HB2 H 1 2.035 0.020 . 2 . . . . A 97 LEU HB2 . 34585 1 864 . 1 . 1 75 75 LEU HB3 H 1 1.612 0.020 . 2 . . . . A 97 LEU HB3 . 34585 1 865 . 1 . 1 75 75 LEU HG H 1 1.617 0.020 . 1 . . . . A 97 LEU HG . 34585 1 866 . 1 . 1 75 75 LEU HD11 H 1 0.978 0.020 . 2 . . . . A 97 LEU HD11 . 34585 1 867 . 1 . 1 75 75 LEU HD12 H 1 0.978 0.020 . 2 . . . . A 97 LEU HD12 . 34585 1 868 . 1 . 1 75 75 LEU HD13 H 1 0.978 0.020 . 2 . . . . A 97 LEU HD13 . 34585 1 869 . 1 . 1 75 75 LEU HD21 H 1 1.077 0.020 . 2 . . . . A 97 LEU HD21 . 34585 1 870 . 1 . 1 75 75 LEU HD22 H 1 1.077 0.020 . 2 . . . . A 97 LEU HD22 . 34585 1 871 . 1 . 1 75 75 LEU HD23 H 1 1.077 0.020 . 2 . . . . A 97 LEU HD23 . 34585 1 872 . 1 . 1 75 75 LEU C C 13 176.421 0.400 . 1 . . . . A 97 LEU C . 34585 1 873 . 1 . 1 75 75 LEU CA C 13 54.111 0.400 . 1 . . . . A 97 LEU CA . 34585 1 874 . 1 . 1 75 75 LEU CB C 13 39.997 0.400 . 1 . . . . A 97 LEU CB . 34585 1 875 . 1 . 1 75 75 LEU CG C 13 27.459 0.400 . 1 . . . . A 97 LEU CG . 34585 1 876 . 1 . 1 75 75 LEU CD1 C 13 23.930 0.400 . 2 . . . . A 97 LEU CD1 . 34585 1 877 . 1 . 1 75 75 LEU CD2 C 13 25.357 0.400 . 2 . . . . A 97 LEU CD2 . 34585 1 878 . 1 . 1 75 75 LEU N N 15 121.633 0.400 . 1 . . . . A 97 LEU N . 34585 1 879 . 1 . 1 76 76 ILE H H 1 8.206 0.020 . 1 . . . . A 98 ILE H . 34585 1 880 . 1 . 1 76 76 ILE HA H 1 3.875 0.020 . 1 . . . . A 98 ILE HA . 34585 1 881 . 1 . 1 76 76 ILE HB H 1 1.872 0.020 . 1 . . . . A 98 ILE HB . 34585 1 882 . 1 . 1 76 76 ILE HG12 H 1 1.351 0.020 . 2 . . . . A 98 ILE HG12 . 34585 1 883 . 1 . 1 76 76 ILE HG13 H 1 1.585 0.020 . 2 . . . . A 98 ILE HG13 . 34585 1 884 . 1 . 1 76 76 ILE HG21 H 1 0.918 0.020 . 1 . . . . A 98 ILE HG21 . 34585 1 885 . 1 . 1 76 76 ILE HG22 H 1 0.918 0.020 . 1 . . . . A 98 ILE HG22 . 34585 1 886 . 1 . 1 76 76 ILE HG23 H 1 0.918 0.020 . 1 . . . . A 98 ILE HG23 . 34585 1 887 . 1 . 1 76 76 ILE HD11 H 1 0.899 0.020 . 1 . . . . A 98 ILE HD11 . 34585 1 888 . 1 . 1 76 76 ILE HD12 H 1 0.899 0.020 . 1 . . . . A 98 ILE HD12 . 34585 1 889 . 1 . 1 76 76 ILE HD13 H 1 0.899 0.020 . 1 . . . . A 98 ILE HD13 . 34585 1 890 . 1 . 1 76 76 ILE C C 13 178.277 0.400 . 1 . . . . A 98 ILE C . 34585 1 891 . 1 . 1 76 76 ILE CA C 13 62.330 0.400 . 1 . . . . A 98 ILE CA . 34585 1 892 . 1 . 1 76 76 ILE CB C 13 36.736 0.400 . 1 . . . . A 98 ILE CB . 34585 1 893 . 1 . 1 76 76 ILE CG1 C 13 27.568 0.400 . 1 . . . . A 98 ILE CG1 . 34585 1 894 . 1 . 1 76 76 ILE CG2 C 13 17.217 0.400 . 1 . . . . A 98 ILE CG2 . 34585 1 895 . 1 . 1 76 76 ILE CD1 C 13 11.736 0.400 . 1 . . . . A 98 ILE CD1 . 34585 1 896 . 1 . 1 76 76 ILE N N 15 126.927 0.400 . 1 . . . . A 98 ILE N . 34585 1 897 . 1 . 1 77 77 GLY H H 1 9.134 0.020 . 1 . . . . A 99 GLY H . 34585 1 898 . 1 . 1 77 77 GLY HA2 H 1 3.770 0.020 . 2 . . . . A 99 GLY HA2 . 34585 1 899 . 1 . 1 77 77 GLY HA3 H 1 4.149 0.020 . 2 . . . . A 99 GLY HA3 . 34585 1 900 . 1 . 1 77 77 GLY C C 13 175.335 0.400 . 1 . . . . A 99 GLY C . 34585 1 901 . 1 . 1 77 77 GLY CA C 13 45.402 0.400 . 1 . . . . A 99 GLY CA . 34585 1 902 . 1 . 1 77 77 GLY N N 15 116.513 0.400 . 1 . . . . A 99 GLY N . 34585 1 903 . 1 . 1 78 78 GLY H H 1 8.027 0.020 . 1 . . . . A 100 GLY H . 34585 1 904 . 1 . 1 78 78 GLY HA2 H 1 3.991 0.020 . 2 . . . . A 100 GLY HA2 . 34585 1 905 . 1 . 1 78 78 GLY HA3 H 1 4.129 0.020 . 2 . . . . A 100 GLY HA3 . 34585 1 906 . 1 . 1 78 78 GLY C C 13 174.143 0.400 . 1 . . . . A 100 GLY C . 34585 1 907 . 1 . 1 78 78 GLY CA C 13 45.556 0.400 . 1 . . . . A 100 GLY CA . 34585 1 908 . 1 . 1 78 78 GLY N N 15 107.066 0.400 . 1 . . . . A 100 GLY N . 34585 1 909 . 1 . 1 79 79 THR H H 1 8.515 0.020 . 1 . . . . A 101 THR H . 34585 1 910 . 1 . 1 79 79 THR HA H 1 4.358 0.020 . 1 . . . . A 101 THR HA . 34585 1 911 . 1 . 1 79 79 THR HB H 1 4.407 0.020 . 1 . . . . A 101 THR HB . 34585 1 912 . 1 . 1 79 79 THR HG21 H 1 1.142 0.020 . 1 . . . . A 101 THR HG21 . 34585 1 913 . 1 . 1 79 79 THR HG22 H 1 1.142 0.020 . 1 . . . . A 101 THR HG22 . 34585 1 914 . 1 . 1 79 79 THR HG23 H 1 1.142 0.020 . 1 . . . . A 101 THR HG23 . 34585 1 915 . 1 . 1 79 79 THR C C 13 174.852 0.400 . 1 . . . . A 101 THR C . 34585 1 916 . 1 . 1 79 79 THR CA C 13 60.404 0.400 . 1 . . . . A 101 THR CA . 34585 1 917 . 1 . 1 79 79 THR CB C 13 69.799 0.400 . 1 . . . . A 101 THR CB . 34585 1 918 . 1 . 1 79 79 THR CG2 C 13 21.659 0.400 . 1 . . . . A 101 THR CG2 . 34585 1 919 . 1 . 1 79 79 THR N N 15 109.528 0.400 . 1 . . . . A 101 THR N . 34585 1 920 . 1 . 1 80 80 GLY H H 1 8.788 0.020 . 1 . . . . A 102 GLY H . 34585 1 921 . 1 . 1 80 80 GLY HA2 H 1 3.978 0.020 . 2 . . . . A 102 GLY HA2 . 34585 1 922 . 1 . 1 80 80 GLY HA3 H 1 3.449 0.020 . 2 . . . . A 102 GLY HA3 . 34585 1 923 . 1 . 1 80 80 GLY C C 13 174.813 0.400 . 1 . . . . A 102 GLY C . 34585 1 924 . 1 . 1 80 80 GLY CA C 13 45.429 0.400 . 1 . . . . A 102 GLY CA . 34585 1 925 . 1 . 1 80 80 GLY N N 15 108.159 0.400 . 1 . . . . A 102 GLY N . 34585 1 926 . 1 . 1 81 81 LEU H H 1 7.784 0.020 . 1 . . . . A 103 LEU H . 34585 1 927 . 1 . 1 81 81 LEU HA H 1 4.471 0.020 . 1 . . . . A 103 LEU HA . 34585 1 928 . 1 . 1 81 81 LEU HB2 H 1 1.441 0.020 . 2 . . . . A 103 LEU HB2 . 34585 1 929 . 1 . 1 81 81 LEU HB3 H 1 1.698 0.020 . 2 . . . . A 103 LEU HB3 . 34585 1 930 . 1 . 1 81 81 LEU HG H 1 1.276 0.020 . 1 . . . . A 103 LEU HG . 34585 1 931 . 1 . 1 81 81 LEU HD11 H 1 0.504 0.020 . 2 . . . . A 103 LEU HD11 . 34585 1 932 . 1 . 1 81 81 LEU HD12 H 1 0.504 0.020 . 2 . . . . A 103 LEU HD12 . 34585 1 933 . 1 . 1 81 81 LEU HD13 H 1 0.504 0.020 . 2 . . . . A 103 LEU HD13 . 34585 1 934 . 1 . 1 81 81 LEU HD21 H 1 0.781 0.020 . 2 . . . . A 103 LEU HD21 . 34585 1 935 . 1 . 1 81 81 LEU HD22 H 1 0.781 0.020 . 2 . . . . A 103 LEU HD22 . 34585 1 936 . 1 . 1 81 81 LEU HD23 H 1 0.781 0.020 . 2 . . . . A 103 LEU HD23 . 34585 1 937 . 1 . 1 81 81 LEU C C 13 177.109 0.400 . 1 . . . . A 103 LEU C . 34585 1 938 . 1 . 1 81 81 LEU CA C 13 53.606 0.400 . 1 . . . . A 103 LEU CA . 34585 1 939 . 1 . 1 81 81 LEU CB C 13 43.111 0.400 . 1 . . . . A 103 LEU CB . 34585 1 940 . 1 . 1 81 81 LEU CG C 13 26.314 0.400 . 1 . . . . A 103 LEU CG . 34585 1 941 . 1 . 1 81 81 LEU CD1 C 13 22.496 0.400 . 2 . . . . A 103 LEU CD1 . 34585 1 942 . 1 . 1 81 81 LEU CD2 C 13 25.396 0.400 . 2 . . . . A 103 LEU CD2 . 34585 1 943 . 1 . 1 81 81 LEU N N 15 117.818 0.400 . 1 . . . . A 103 LEU N . 34585 1 944 . 1 . 1 82 82 GLY H H 1 7.845 0.020 . 1 . . . . A 104 GLY H . 34585 1 945 . 1 . 1 82 82 GLY HA2 H 1 3.753 0.020 . 2 . . . . A 104 GLY HA2 . 34585 1 946 . 1 . 1 82 82 GLY HA3 H 1 3.994 0.020 . 2 . . . . A 104 GLY HA3 . 34585 1 947 . 1 . 1 82 82 GLY C C 13 174.535 0.400 . 1 . . . . A 104 GLY C . 34585 1 948 . 1 . 1 82 82 GLY CA C 13 45.596 0.400 . 1 . . . . A 104 GLY CA . 34585 1 949 . 1 . 1 82 82 GLY N N 15 109.316 0.400 . 1 . . . . A 104 GLY N . 34585 1 950 . 1 . 1 83 83 THR H H 1 8.683 0.020 . 1 . . . . A 105 THR H . 34585 1 951 . 1 . 1 83 83 THR HA H 1 4.015 0.020 . 1 . . . . A 105 THR HA . 34585 1 952 . 1 . 1 83 83 THR HB H 1 3.813 0.020 . 1 . . . . A 105 THR HB . 34585 1 953 . 1 . 1 83 83 THR HG21 H 1 0.810 0.020 . 1 . . . . A 105 THR HG21 . 34585 1 954 . 1 . 1 83 83 THR HG22 H 1 0.810 0.020 . 1 . . . . A 105 THR HG22 . 34585 1 955 . 1 . 1 83 83 THR HG23 H 1 0.810 0.020 . 1 . . . . A 105 THR HG23 . 34585 1 956 . 1 . 1 83 83 THR C C 13 172.413 0.400 . 1 . . . . A 105 THR C . 34585 1 957 . 1 . 1 83 83 THR CA C 13 64.350 0.400 . 1 . . . . A 105 THR CA . 34585 1 958 . 1 . 1 83 83 THR CB C 13 69.372 0.400 . 1 . . . . A 105 THR CB . 34585 1 959 . 1 . 1 83 83 THR CG2 C 13 22.568 0.400 . 1 . . . . A 105 THR CG2 . 34585 1 960 . 1 . 1 83 83 THR N N 15 123.793 0.400 . 1 . . . . A 105 THR N . 34585 1 961 . 1 . 1 84 84 ALA H H 1 8.734 0.020 . 1 . . . . A 106 ALA H . 34585 1 962 . 1 . 1 84 84 ALA HA H 1 2.882 0.020 . 1 . . . . A 106 ALA HA . 34585 1 963 . 1 . 1 84 84 ALA HB1 H 1 0.614 0.020 . 1 . . . . A 106 ALA HB1 . 34585 1 964 . 1 . 1 84 84 ALA HB2 H 1 0.614 0.020 . 1 . . . . A 106 ALA HB2 . 34585 1 965 . 1 . 1 84 84 ALA HB3 H 1 0.614 0.020 . 1 . . . . A 106 ALA HB3 . 34585 1 966 . 1 . 1 84 84 ALA C C 13 174.367 0.400 . 1 . . . . A 106 ALA C . 34585 1 967 . 1 . 1 84 84 ALA CA C 13 49.955 0.400 . 1 . . . . A 106 ALA CA . 34585 1 968 . 1 . 1 84 84 ALA CB C 13 21.478 0.400 . 1 . . . . A 106 ALA CB . 34585 1 969 . 1 . 1 84 84 ALA N N 15 131.138 0.400 . 1 . . . . A 106 ALA N . 34585 1 970 . 1 . 1 85 85 THR H H 1 6.882 0.020 . 1 . . . . A 107 THR H . 34585 1 971 . 1 . 1 85 85 THR HA H 1 4.419 0.020 . 1 . . . . A 107 THR HA . 34585 1 972 . 1 . 1 85 85 THR HB H 1 3.516 0.020 . 1 . . . . A 107 THR HB . 34585 1 973 . 1 . 1 85 85 THR HG21 H 1 0.612 0.020 . 1 . . . . A 107 THR HG21 . 34585 1 974 . 1 . 1 85 85 THR HG22 H 1 0.612 0.020 . 1 . . . . A 107 THR HG22 . 34585 1 975 . 1 . 1 85 85 THR HG23 H 1 0.612 0.020 . 1 . . . . A 107 THR HG23 . 34585 1 976 . 1 . 1 85 85 THR C C 13 173.126 0.400 . 1 . . . . A 107 THR C . 34585 1 977 . 1 . 1 85 85 THR CA C 13 61.671 0.400 . 1 . . . . A 107 THR CA . 34585 1 978 . 1 . 1 85 85 THR CB C 13 69.512 0.400 . 1 . . . . A 107 THR CB . 34585 1 979 . 1 . 1 85 85 THR CG2 C 13 21.461 0.400 . 1 . . . . A 107 THR CG2 . 34585 1 980 . 1 . 1 85 85 THR N N 15 117.940 0.400 . 1 . . . . A 107 THR N . 34585 1 981 . 1 . 1 86 86 PHE H H 1 9.251 0.020 . 1 . . . . A 108 PHE H . 34585 1 982 . 1 . 1 86 86 PHE HA H 1 4.790 0.020 . 1 . . . . A 108 PHE HA . 34585 1 983 . 1 . 1 86 86 PHE HB2 H 1 2.864 0.020 . 2 . . . . A 108 PHE HB2 . 34585 1 984 . 1 . 1 86 86 PHE HB3 H 1 3.045 0.020 . 2 . . . . A 108 PHE HB3 . 34585 1 985 . 1 . 1 86 86 PHE HD1 H 1 7.287 0.020 . 1 . . . . A 108 PHE HD1 . 34585 1 986 . 1 . 1 86 86 PHE HD2 H 1 7.288 0.020 . 1 . . . . A 108 PHE HD2 . 34585 1 987 . 1 . 1 86 86 PHE HE1 H 1 7.124 0.020 . 1 . . . . A 108 PHE HE1 . 34585 1 988 . 1 . 1 86 86 PHE HE2 H 1 7.120 0.020 . 1 . . . . A 108 PHE HE2 . 34585 1 989 . 1 . 1 86 86 PHE HZ H 1 6.449 0.020 . 1 . . . . A 108 PHE HZ . 34585 1 990 . 1 . 1 86 86 PHE C C 13 174.856 0.400 . 1 . . . . A 108 PHE C . 34585 1 991 . 1 . 1 86 86 PHE CB C 13 40.527 0.400 . 1 . . . . A 108 PHE CB . 34585 1 992 . 1 . 1 86 86 PHE CD1 C 13 132.074 0.400 . 3 . . . . A 108 PHE CD1 . 34585 1 993 . 1 . 1 86 86 PHE CD2 C 13 132.097 0.400 . 3 . . . . A 108 PHE CD2 . 34585 1 994 . 1 . 1 86 86 PHE CE1 C 13 130.852 0.400 . 3 . . . . A 108 PHE CE1 . 34585 1 995 . 1 . 1 86 86 PHE CE2 C 13 130.850 0.400 . 3 . . . . A 108 PHE CE2 . 34585 1 996 . 1 . 1 86 86 PHE CZ C 13 129.837 0.400 . 1 . . . . A 108 PHE CZ . 34585 1 997 . 1 . 1 86 86 PHE N N 15 124.964 0.400 . 1 . . . . A 108 PHE N . 34585 1 998 . 1 . 1 87 87 HIS H H 1 9.268 0.020 . 1 . . . . A 109 HIS H . 34585 1 999 . 1 . 1 87 87 HIS HA H 1 4.766 0.020 . 1 . . . . A 109 HIS HA . 34585 1 1000 . 1 . 1 87 87 HIS HB2 H 1 3.130 0.020 . 2 . . . . A 109 HIS HB2 . 34585 1 1001 . 1 . 1 87 87 HIS HB3 H 1 3.153 0.020 . 2 . . . . A 109 HIS HB3 . 34585 1 1002 . 1 . 1 87 87 HIS HD2 H 1 7.163 0.020 . 1 . . . . A 109 HIS HD2 . 34585 1 1003 . 1 . 1 87 87 HIS HE1 H 1 8.471 0.020 . 1 . . . . A 109 HIS HE1 . 34585 1 1004 . 1 . 1 87 87 HIS C C 13 174.255 0.400 . 1 . . . . A 109 HIS C . 34585 1 1005 . 1 . 1 87 87 HIS CB C 13 27.307 0.400 . 1 . . . . A 109 HIS CB . 34585 1 1006 . 1 . 1 87 87 HIS CD2 C 13 119.797 0.400 . 1 . . . . A 109 HIS CD2 . 34585 1 1007 . 1 . 1 87 87 HIS CE1 C 13 136.204 0.400 . 1 . . . . A 109 HIS CE1 . 34585 1 1008 . 1 . 1 87 87 HIS N N 15 125.656 0.400 . 1 . . . . A 109 HIS N . 34585 1 1009 . 1 . 1 88 88 VAL H H 1 7.505 0.020 . 1 . . . . A 110 VAL H . 34585 1 1010 . 1 . 1 88 88 VAL HA H 1 3.311 0.020 . 1 . . . . A 110 VAL HA . 34585 1 1011 . 1 . 1 88 88 VAL HB H 1 1.230 0.020 . 1 . . . . A 110 VAL HB . 34585 1 1012 . 1 . 1 88 88 VAL HG11 H 1 -0.427 0.020 . 2 . . . . A 110 VAL HG11 . 34585 1 1013 . 1 . 1 88 88 VAL HG12 H 1 -0.427 0.020 . 2 . . . . A 110 VAL HG12 . 34585 1 1014 . 1 . 1 88 88 VAL HG13 H 1 -0.427 0.020 . 2 . . . . A 110 VAL HG13 . 34585 1 1015 . 1 . 1 88 88 VAL HG21 H 1 -0.199 0.020 . 2 . . . . A 110 VAL HG21 . 34585 1 1016 . 1 . 1 88 88 VAL HG22 H 1 -0.199 0.020 . 2 . . . . A 110 VAL HG22 . 34585 1 1017 . 1 . 1 88 88 VAL HG23 H 1 -0.199 0.020 . 2 . . . . A 110 VAL HG23 . 34585 1 1018 . 1 . 1 88 88 VAL C C 13 175.859 0.400 . 1 . . . . A 110 VAL C . 34585 1 1019 . 1 . 1 88 88 VAL CA C 13 63.838 0.400 . 1 . . . . A 110 VAL CA . 34585 1 1020 . 1 . 1 88 88 VAL CB C 13 32.182 0.400 . 1 . . . . A 110 VAL CB . 34585 1 1021 . 1 . 1 88 88 VAL CG1 C 13 20.696 0.400 . 2 . . . . A 110 VAL CG1 . 34585 1 1022 . 1 . 1 88 88 VAL CG2 C 13 20.100 0.400 . 2 . . . . A 110 VAL CG2 . 34585 1 1023 . 1 . 1 88 88 VAL N N 15 124.362 0.400 . 1 . . . . A 110 VAL N . 34585 1 1024 . 1 . 1 89 89 GLY H H 1 7.300 0.020 . 1 . . . . A 111 GLY H . 34585 1 1025 . 1 . 1 89 89 GLY HA2 H 1 3.440 0.020 . 2 . . . . A 111 GLY HA2 . 34585 1 1026 . 1 . 1 89 89 GLY HA3 H 1 4.374 0.020 . 2 . . . . A 111 GLY HA3 . 34585 1 1027 . 1 . 1 89 89 GLY C C 13 173.641 0.400 . 1 . . . . A 111 GLY C . 34585 1 1028 . 1 . 1 89 89 GLY CA C 13 43.250 0.400 . 1 . . . . A 111 GLY CA . 34585 1 1029 . 1 . 1 89 89 GLY N N 15 104.087 0.400 . 1 . . . . A 111 GLY N . 34585 1 1030 . 1 . 1 90 90 SER H H 1 8.348 0.020 . 1 . . . . A 112 SER H . 34585 1 1031 . 1 . 1 90 90 SER HA H 1 4.818 0.020 . 1 . . . . A 112 SER HA . 34585 1 1032 . 1 . 1 90 90 SER HB2 H 1 4.134 0.020 . 2 . . . . A 112 SER HB2 . 34585 1 1033 . 1 . 1 90 90 SER HB3 H 1 3.394 0.020 . 2 . . . . A 112 SER HB3 . 34585 1 1034 . 1 . 1 90 90 SER CA C 13 55.531 0.400 . 1 . . . . A 112 SER CA . 34585 1 1035 . 1 . 1 90 90 SER CB C 13 63.223 0.400 . 1 . . . . A 112 SER CB . 34585 1 1036 . 1 . 1 90 90 SER N N 15 115.184 0.400 . 1 . . . . A 112 SER N . 34585 1 1037 . 1 . 1 91 91 PRO HA H 1 3.267 0.020 . 1 . . . . A 113 PRO HA . 34585 1 1038 . 1 . 1 91 91 PRO HB2 H 1 2.067 0.020 . 2 . . . . A 113 PRO HB2 . 34585 1 1039 . 1 . 1 91 91 PRO HB3 H 1 1.841 0.020 . 2 . . . . A 113 PRO HB3 . 34585 1 1040 . 1 . 1 91 91 PRO HD2 H 1 3.858 0.020 . 2 . . . . A 113 PRO HD2 . 34585 1 1041 . 1 . 1 91 91 PRO HD3 H 1 3.616 0.020 . 2 . . . . A 113 PRO HD3 . 34585 1 1042 . 1 . 1 91 91 PRO C C 13 179.243 0.400 . 1 . . . . A 113 PRO C . 34585 1 1043 . 1 . 1 91 91 PRO CA C 13 65.250 0.400 . 1 . . . . A 113 PRO CA . 34585 1 1044 . 1 . 1 91 91 PRO CB C 13 32.495 0.400 . 1 . . . . A 113 PRO CB . 34585 1 1045 . 1 . 1 91 91 PRO CG C 13 28.500 0.400 . 1 . . . . A 113 PRO CG . 34585 1 1046 . 1 . 1 91 91 PRO CD C 13 50.138 0.400 . 1 . . . . A 113 PRO CD . 34585 1 1047 . 1 . 1 92 92 ALA H H 1 8.376 0.020 . 1 . . . . A 114 ALA H . 34585 1 1048 . 1 . 1 92 92 ALA HA H 1 4.498 0.020 . 1 . . . . A 114 ALA HA . 34585 1 1049 . 1 . 1 92 92 ALA HB1 H 1 1.385 0.020 . 1 . . . . A 114 ALA HB1 . 34585 1 1050 . 1 . 1 92 92 ALA HB2 H 1 1.385 0.020 . 1 . . . . A 114 ALA HB2 . 34585 1 1051 . 1 . 1 92 92 ALA HB3 H 1 1.385 0.020 . 1 . . . . A 114 ALA HB3 . 34585 1 1052 . 1 . 1 92 92 ALA C C 13 178.197 0.400 . 1 . . . . A 114 ALA C . 34585 1 1053 . 1 . 1 92 92 ALA CA C 13 55.452 0.400 . 1 . . . . A 114 ALA CA . 34585 1 1054 . 1 . 1 92 92 ALA CB C 13 18.740 0.400 . 1 . . . . A 114 ALA CB . 34585 1 1055 . 1 . 1 92 92 ALA N N 15 118.084 0.400 . 1 . . . . A 114 ALA N . 34585 1 1056 . 1 . 1 93 93 ALA H H 1 7.627 0.020 . 1 . . . . A 115 ALA H . 34585 1 1057 . 1 . 1 93 93 ALA HA H 1 4.329 0.020 . 1 . . . . A 115 ALA HA . 34585 1 1058 . 1 . 1 93 93 ALA HB1 H 1 1.409 0.020 . 1 . . . . A 115 ALA HB1 . 34585 1 1059 . 1 . 1 93 93 ALA HB2 H 1 1.409 0.020 . 1 . . . . A 115 ALA HB2 . 34585 1 1060 . 1 . 1 93 93 ALA HB3 H 1 1.409 0.020 . 1 . . . . A 115 ALA HB3 . 34585 1 1061 . 1 . 1 93 93 ALA C C 13 179.621 0.400 . 1 . . . . A 115 ALA C . 34585 1 1062 . 1 . 1 93 93 ALA CA C 13 53.831 0.400 . 1 . . . . A 115 ALA CA . 34585 1 1063 . 1 . 1 93 93 ALA CB C 13 19.629 0.400 . 1 . . . . A 115 ALA CB . 34585 1 1064 . 1 . 1 93 93 ALA N N 15 119.099 0.400 . 1 . . . . A 115 ALA N . 34585 1 1065 . 1 . 1 94 94 ALA H H 1 9.039 0.020 . 1 . . . . A 116 ALA H . 34585 1 1066 . 1 . 1 94 94 ALA HA H 1 4.368 0.020 . 1 . . . . A 116 ALA HA . 34585 1 1067 . 1 . 1 94 94 ALA HB1 H 1 0.752 0.020 . 1 . . . . A 116 ALA HB1 . 34585 1 1068 . 1 . 1 94 94 ALA HB2 H 1 0.752 0.020 . 1 . . . . A 116 ALA HB2 . 34585 1 1069 . 1 . 1 94 94 ALA HB3 H 1 0.752 0.020 . 1 . . . . A 116 ALA HB3 . 34585 1 1070 . 1 . 1 94 94 ALA C C 13 178.587 0.400 . 1 . . . . A 116 ALA C . 34585 1 1071 . 1 . 1 94 94 ALA CA C 13 53.969 0.400 . 1 . . . . A 116 ALA CA . 34585 1 1072 . 1 . 1 94 94 ALA CB C 13 19.760 0.400 . 1 . . . . A 116 ALA CB . 34585 1 1073 . 1 . 1 94 94 ALA N N 15 119.479 0.400 . 1 . . . . A 116 ALA N . 34585 1 1074 . 1 . 1 95 95 PHE H H 1 7.289 0.020 . 1 . . . . A 117 PHE H . 34585 1 1075 . 1 . 1 95 95 PHE HA H 1 5.372 0.020 . 1 . . . . A 117 PHE HA . 34585 1 1076 . 1 . 1 95 95 PHE HB2 H 1 3.588 0.020 . 2 . . . . A 117 PHE HB2 . 34585 1 1077 . 1 . 1 95 95 PHE HB3 H 1 3.234 0.020 . 2 . . . . A 117 PHE HB3 . 34585 1 1078 . 1 . 1 95 95 PHE HD1 H 1 6.605 0.020 . 1 . . . . A 117 PHE HD1 . 34585 1 1079 . 1 . 1 95 95 PHE HD2 H 1 6.606 0.020 . 1 . . . . A 117 PHE HD2 . 34585 1 1080 . 1 . 1 95 95 PHE HE1 H 1 6.448 0.020 . 1 . . . . A 117 PHE HE1 . 34585 1 1081 . 1 . 1 95 95 PHE HZ H 1 6.616 0.020 . 1 . . . . A 117 PHE HZ . 34585 1 1082 . 1 . 1 95 95 PHE C C 13 176.843 0.400 . 1 . . . . A 117 PHE C . 34585 1 1083 . 1 . 1 95 95 PHE CA C 13 52.181 0.400 . 1 . . . . A 117 PHE CA . 34585 1 1084 . 1 . 1 95 95 PHE CB C 13 38.300 0.400 . 1 . . . . A 117 PHE CB . 34585 1 1085 . 1 . 1 95 95 PHE CD1 C 13 130.198 0.400 . 3 . . . . A 117 PHE CD1 . 34585 1 1086 . 1 . 1 95 95 PHE CD2 C 13 130.240 0.400 . 3 . . . . A 117 PHE CD2 . 34585 1 1087 . 1 . 1 95 95 PHE CZ C 13 129.730 0.400 . 1 . . . . A 117 PHE CZ . 34585 1 1088 . 1 . 1 95 95 PHE N N 15 111.056 0.400 . 1 . . . . A 117 PHE N . 34585 1 1089 . 1 . 1 96 96 ASN H H 1 7.540 0.020 . 1 . . . . A 118 ASN H . 34585 1 1090 . 1 . 1 96 96 ASN HA H 1 4.643 0.020 . 1 . . . . A 118 ASN HA . 34585 1 1091 . 1 . 1 96 96 ASN HB2 H 1 2.777 0.020 . 2 . . . . A 118 ASN HB2 . 34585 1 1092 . 1 . 1 96 96 ASN HB3 H 1 3.365 0.020 . 2 . . . . A 118 ASN HB3 . 34585 1 1093 . 1 . 1 96 96 ASN HD21 H 1 7.641 0.020 . 2 . . . . A 118 ASN HD21 . 34585 1 1094 . 1 . 1 96 96 ASN HD22 H 1 6.888 0.020 . 2 . . . . A 118 ASN HD22 . 34585 1 1095 . 1 . 1 96 96 ASN C C 13 174.881 0.400 . 1 . . . . A 118 ASN C . 34585 1 1096 . 1 . 1 96 96 ASN CA C 13 54.194 0.400 . 1 . . . . A 118 ASN CA . 34585 1 1097 . 1 . 1 96 96 ASN CB C 13 37.732 0.400 . 1 . . . . A 118 ASN CB . 34585 1 1098 . 1 . 1 96 96 ASN N N 15 116.651 0.400 . 1 . . . . A 118 ASN N . 34585 1 1099 . 1 . 1 96 96 ASN ND2 N 15 111.563 0.400 . 1 . . . . A 118 ASN ND2 . 34585 1 1100 . 1 . 1 97 97 PHE H H 1 7.733 0.020 . 1 . . . . A 119 PHE H . 34585 1 1101 . 1 . 1 97 97 PHE HA H 1 4.418 0.020 . 1 . . . . A 119 PHE HA . 34585 1 1102 . 1 . 1 97 97 PHE HB2 H 1 2.404 0.020 . 2 . . . . A 119 PHE HB2 . 34585 1 1103 . 1 . 1 97 97 PHE HB3 H 1 3.286 0.020 . 2 . . . . A 119 PHE HB3 . 34585 1 1104 . 1 . 1 97 97 PHE HD1 H 1 7.456 0.020 . 1 . . . . A 119 PHE HD1 . 34585 1 1105 . 1 . 1 97 97 PHE HD2 H 1 7.456 0.020 . 1 . . . . A 119 PHE HD2 . 34585 1 1106 . 1 . 1 97 97 PHE HE2 H 1 7.429 0.020 . 1 . . . . A 119 PHE HE2 . 34585 1 1107 . 1 . 1 97 97 PHE HZ H 1 7.206 0.020 . 1 . . . . A 119 PHE HZ . 34585 1 1108 . 1 . 1 97 97 PHE C C 13 175.478 0.400 . 1 . . . . A 119 PHE C . 34585 1 1109 . 1 . 1 97 97 PHE CA C 13 59.922 0.400 . 1 . . . . A 119 PHE CA . 34585 1 1110 . 1 . 1 97 97 PHE CB C 13 39.405 0.400 . 1 . . . . A 119 PHE CB . 34585 1 1111 . 1 . 1 97 97 PHE CD1 C 13 132.485 0.400 . 3 . . . . A 119 PHE CD1 . 34585 1 1112 . 1 . 1 97 97 PHE CD2 C 13 132.485 0.400 . 3 . . . . A 119 PHE CD2 . 34585 1 1113 . 1 . 1 97 97 PHE CZ C 13 129.733 0.400 . 1 . . . . A 119 PHE CZ . 34585 1 1114 . 1 . 1 97 97 PHE N N 15 118.195 0.400 . 1 . . . . A 119 PHE N . 34585 1 1115 . 1 . 1 98 98 HIS H H 1 8.273 0.020 . 1 . . . . A 120 HIS H . 34585 1 1116 . 1 . 1 98 98 HIS HA H 1 4.500 0.020 . 1 . . . . A 120 HIS HA . 34585 1 1117 . 1 . 1 98 98 HIS HB2 H 1 3.003 0.020 . 2 . . . . A 120 HIS HB2 . 34585 1 1118 . 1 . 1 98 98 HIS HB3 H 1 3.207 0.020 . 2 . . . . A 120 HIS HB3 . 34585 1 1119 . 1 . 1 98 98 HIS HD2 H 1 7.168 0.020 . 1 . . . . A 120 HIS HD2 . 34585 1 1120 . 1 . 1 98 98 HIS HE1 H 1 8.198 0.020 . 1 . . . . A 120 HIS HE1 . 34585 1 1121 . 1 . 1 98 98 HIS C C 13 173.457 0.400 . 1 . . . . A 120 HIS C . 34585 1 1122 . 1 . 1 98 98 HIS CA C 13 54.325 0.400 . 1 . . . . A 120 HIS CA . 34585 1 1123 . 1 . 1 98 98 HIS CB C 13 29.187 0.400 . 1 . . . . A 120 HIS CB . 34585 1 1124 . 1 . 1 98 98 HIS CD2 C 13 120.767 0.400 . 1 . . . . A 120 HIS CD2 . 34585 1 1125 . 1 . 1 98 98 HIS CE1 C 13 137.305 0.400 . 1 . . . . A 120 HIS CE1 . 34585 1 1126 . 1 . 1 98 98 HIS N N 15 125.825 0.400 . 1 . . . . A 120 HIS N . 34585 1 1127 . 1 . 1 99 99 GLY H H 1 5.950 0.020 . 1 . . . . A 121 GLY H . 34585 1 1128 . 1 . 1 99 99 GLY HA2 H 1 3.877 0.020 . 2 . . . . A 121 GLY HA2 . 34585 1 1129 . 1 . 1 99 99 GLY HA3 H 1 3.971 0.020 . 2 . . . . A 121 GLY HA3 . 34585 1 1130 . 1 . 1 99 99 GLY C C 13 172.942 0.400 . 1 . . . . A 121 GLY C . 34585 1 1131 . 1 . 1 99 99 GLY CA C 13 45.012 0.400 . 1 . . . . A 121 GLY CA . 34585 1 1132 . 1 . 1 99 99 GLY N N 15 105.985 0.400 . 1 . . . . A 121 GLY N . 34585 1 1133 . 1 . 1 100 100 SER H H 1 8.463 0.020 . 1 . . . . A 122 SER H . 34585 1 1134 . 1 . 1 100 100 SER HA H 1 4.603 0.020 . 1 . . . . A 122 SER HA . 34585 1 1135 . 1 . 1 100 100 SER HB2 H 1 3.851 0.020 . 2 . . . . A 122 SER HB2 . 34585 1 1136 . 1 . 1 100 100 SER HB3 H 1 3.999 0.020 . 2 . . . . A 122 SER HB3 . 34585 1 1137 . 1 . 1 100 100 SER C C 13 174.061 0.400 . 1 . . . . A 122 SER C . 34585 1 1138 . 1 . 1 100 100 SER CA C 13 58.063 0.400 . 1 . . . . A 122 SER CA . 34585 1 1139 . 1 . 1 100 100 SER CB C 13 64.395 0.400 . 1 . . . . A 122 SER CB . 34585 1 1140 . 1 . 1 100 100 SER N N 15 111.153 0.400 . 1 . . . . A 122 SER N . 34585 1 1141 . 1 . 1 101 101 GLU H H 1 7.827 0.020 . 1 . . . . A 123 GLU H . 34585 1 1142 . 1 . 1 101 101 GLU HA H 1 4.760 0.020 . 1 . . . . A 123 GLU HA . 34585 1 1143 . 1 . 1 101 101 GLU HB2 H 1 2.143 0.020 . 2 . . . . A 123 GLU HB2 . 34585 1 1144 . 1 . 1 101 101 GLU HB3 H 1 1.922 0.020 . 2 . . . . A 123 GLU HB3 . 34585 1 1145 . 1 . 1 101 101 GLU HG2 H 1 2.267 0.020 . 2 . . . . A 123 GLU HG2 . 34585 1 1146 . 1 . 1 101 101 GLU HG3 H 1 2.265 0.020 . 2 . . . . A 123 GLU HG3 . 34585 1 1147 . 1 . 1 101 101 GLU C C 13 175.664 0.400 . 1 . . . . A 123 GLU C . 34585 1 1148 . 1 . 1 101 101 GLU CA C 13 54.353 0.400 . 1 . . . . A 123 GLU CA . 34585 1 1149 . 1 . 1 101 101 GLU CB C 13 32.791 0.400 . 1 . . . . A 123 GLU CB . 34585 1 1150 . 1 . 1 101 101 GLU CG C 13 35.863 0.400 . 1 . . . . A 123 GLU CG . 34585 1 1151 . 1 . 1 101 101 GLU N N 15 120.125 0.400 . 1 . . . . A 123 GLU N . 34585 1 1152 . 1 . 1 102 102 ARG H H 1 8.745 0.020 . 1 . . . . A 124 ARG H . 34585 1 1153 . 1 . 1 102 102 ARG HA H 1 4.880 0.020 . 1 . . . . A 124 ARG HA . 34585 1 1154 . 1 . 1 102 102 ARG HB2 H 1 1.901 0.020 . 2 . . . . A 124 ARG HB2 . 34585 1 1155 . 1 . 1 102 102 ARG HB3 H 1 1.865 0.020 . 2 . . . . A 124 ARG HB3 . 34585 1 1156 . 1 . 1 102 102 ARG HG2 H 1 1.637 0.020 . 2 . . . . A 124 ARG HG2 . 34585 1 1157 . 1 . 1 102 102 ARG HG3 H 1 1.640 0.020 . 2 . . . . A 124 ARG HG3 . 34585 1 1158 . 1 . 1 102 102 ARG HD2 H 1 3.275 0.020 . 2 . . . . A 124 ARG HD2 . 34585 1 1159 . 1 . 1 102 102 ARG HD3 H 1 3.184 0.020 . 2 . . . . A 124 ARG HD3 . 34585 1 1160 . 1 . 1 102 102 ARG HE H 1 7.629 0.020 . 1 . . . . A 124 ARG HE . 34585 1 1161 . 1 . 1 102 102 ARG C C 13 176.208 0.400 . 1 . . . . A 124 ARG C . 34585 1 1162 . 1 . 1 102 102 ARG CA C 13 57.315 0.400 . 1 . . . . A 124 ARG CA . 34585 1 1163 . 1 . 1 102 102 ARG CB C 13 30.827 0.400 . 1 . . . . A 124 ARG CB . 34585 1 1164 . 1 . 1 102 102 ARG CG C 13 27.186 0.400 . 1 . . . . A 124 ARG CG . 34585 1 1165 . 1 . 1 102 102 ARG CD C 13 43.823 0.400 . 1 . . . . A 124 ARG CD . 34585 1 1166 . 1 . 1 102 102 ARG N N 15 122.392 0.400 . 1 . . . . A 124 ARG N . 34585 1 1167 . 1 . 1 102 102 ARG NE N 15 84.481 0.400 . 1 . . . . A 124 ARG NE . 34585 1 1168 . 1 . 1 103 103 THR H H 1 8.937 0.020 . 1 . . . . A 125 THR H . 34585 1 1169 . 1 . 1 103 103 THR HA H 1 4.658 0.020 . 1 . . . . A 125 THR HA . 34585 1 1170 . 1 . 1 103 103 THR HB H 1 3.922 0.020 . 1 . . . . A 125 THR HB . 34585 1 1171 . 1 . 1 103 103 THR HG21 H 1 0.845 0.020 . 1 . . . . A 125 THR HG21 . 34585 1 1172 . 1 . 1 103 103 THR HG22 H 1 0.845 0.020 . 1 . . . . A 125 THR HG22 . 34585 1 1173 . 1 . 1 103 103 THR HG23 H 1 0.845 0.020 . 1 . . . . A 125 THR HG23 . 34585 1 1174 . 1 . 1 103 103 THR C C 13 171.828 0.400 . 1 . . . . A 125 THR C . 34585 1 1175 . 1 . 1 103 103 THR CA C 13 61.829 0.400 . 1 . . . . A 125 THR CA . 34585 1 1176 . 1 . 1 103 103 THR CB C 13 71.954 0.400 . 1 . . . . A 125 THR CB . 34585 1 1177 . 1 . 1 103 103 THR N N 15 121.177 0.400 . 1 . . . . A 125 THR N . 34585 1 1178 . 1 . 1 104 104 THR H H 1 8.251 0.020 . 1 . . . . A 126 THR H . 34585 1 1179 . 1 . 1 104 104 THR HA H 1 4.778 0.020 . 1 . . . . A 126 THR HA . 34585 1 1180 . 1 . 1 104 104 THR HB H 1 3.832 0.020 . 1 . . . . A 126 THR HB . 34585 1 1181 . 1 . 1 104 104 THR HG21 H 1 1.023 0.020 . 1 . . . . A 126 THR HG21 . 34585 1 1182 . 1 . 1 104 104 THR HG22 H 1 1.023 0.020 . 1 . . . . A 126 THR HG22 . 34585 1 1183 . 1 . 1 104 104 THR HG23 H 1 1.023 0.020 . 1 . . . . A 126 THR HG23 . 34585 1 1184 . 1 . 1 104 104 THR C C 13 173.434 0.400 . 1 . . . . A 126 THR C . 34585 1 1185 . 1 . 1 104 104 THR CA C 13 61.990 0.400 . 1 . . . . A 126 THR CA . 34585 1 1186 . 1 . 1 104 104 THR CB C 13 70.141 0.400 . 1 . . . . A 126 THR CB . 34585 1 1187 . 1 . 1 104 104 THR CG2 C 13 21.522 0.400 . 1 . . . . A 126 THR CG2 . 34585 1 1188 . 1 . 1 104 104 THR N N 15 122.289 0.400 . 1 . . . . A 126 THR N . 34585 1 1189 . 1 . 1 105 105 TYR H H 1 8.658 0.020 . 1 . . . . A 127 TYR H . 34585 1 1190 . 1 . 1 105 105 TYR HA H 1 4.444 0.020 . 1 . . . . A 127 TYR HA . 34585 1 1191 . 1 . 1 105 105 TYR HB2 H 1 0.830 0.020 . 2 . . . . A 127 TYR HB2 . 34585 1 1192 . 1 . 1 105 105 TYR HB3 H 1 1.955 0.020 . 2 . . . . A 127 TYR HB3 . 34585 1 1193 . 1 . 1 105 105 TYR HD1 H 1 6.421 0.020 . 1 . . . . A 127 TYR HD1 . 34585 1 1194 . 1 . 1 105 105 TYR HD2 H 1 6.420 0.020 . 1 . . . . A 127 TYR HD2 . 34585 1 1195 . 1 . 1 105 105 TYR HE1 H 1 6.476 0.020 . 1 . . . . A 127 TYR HE1 . 34585 1 1196 . 1 . 1 105 105 TYR HE2 H 1 6.480 0.020 . 1 . . . . A 127 TYR HE2 . 34585 1 1197 . 1 . 1 105 105 TYR C C 13 174.047 0.400 . 1 . . . . A 127 TYR C . 34585 1 1198 . 1 . 1 105 105 TYR CA C 13 57.229 0.400 . 1 . . . . A 127 TYR CA . 34585 1 1199 . 1 . 1 105 105 TYR CB C 13 41.604 0.400 . 1 . . . . A 127 TYR CB . 34585 1 1200 . 1 . 1 105 105 TYR CD1 C 13 132.879 0.400 . 3 . . . . A 127 TYR CD1 . 34585 1 1201 . 1 . 1 105 105 TYR CD2 C 13 132.880 0.400 . 3 . . . . A 127 TYR CD2 . 34585 1 1202 . 1 . 1 105 105 TYR CE1 C 13 116.938 0.400 . 3 . . . . A 127 TYR CE1 . 34585 1 1203 . 1 . 1 105 105 TYR CE2 C 13 116.940 0.400 . 3 . . . . A 127 TYR CE2 . 34585 1 1204 . 1 . 1 105 105 TYR N N 15 124.906 0.400 . 1 . . . . A 127 TYR N . 34585 1 1205 . 1 . 1 106 106 ARG H H 1 8.788 0.020 . 1 . . . . A 128 ARG H . 34585 1 1206 . 1 . 1 106 106 ARG HA H 1 4.615 0.020 . 1 . . . . A 128 ARG HA . 34585 1 1207 . 1 . 1 106 106 ARG HB2 H 1 1.589 0.020 . 2 . . . . A 128 ARG HB2 . 34585 1 1208 . 1 . 1 106 106 ARG HB3 H 1 1.574 0.020 . 2 . . . . A 128 ARG HB3 . 34585 1 1209 . 1 . 1 106 106 ARG HG2 H 1 1.393 0.020 . 2 . . . . A 128 ARG HG2 . 34585 1 1210 . 1 . 1 106 106 ARG HG3 H 1 1.396 0.020 . 2 . . . . A 128 ARG HG3 . 34585 1 1211 . 1 . 1 106 106 ARG HD2 H 1 3.059 0.020 . 2 . . . . A 128 ARG HD2 . 34585 1 1212 . 1 . 1 106 106 ARG HD3 H 1 3.116 0.020 . 2 . . . . A 128 ARG HD3 . 34585 1 1213 . 1 . 1 106 106 ARG HE H 1 7.117 0.020 . 1 . . . . A 128 ARG HE . 34585 1 1214 . 1 . 1 106 106 ARG C C 13 174.659 0.400 . 1 . . . . A 128 ARG C . 34585 1 1215 . 1 . 1 106 106 ARG CA C 13 55.019 0.400 . 1 . . . . A 128 ARG CA . 34585 1 1216 . 1 . 1 106 106 ARG CB C 13 33.922 0.400 . 1 . . . . A 128 ARG CB . 34585 1 1217 . 1 . 1 106 106 ARG CG C 13 27.644 0.400 . 1 . . . . A 128 ARG CG . 34585 1 1218 . 1 . 1 106 106 ARG CD C 13 43.543 0.400 . 1 . . . . A 128 ARG CD . 34585 1 1219 . 1 . 1 106 106 ARG N N 15 118.910 0.400 . 1 . . . . A 128 ARG N . 34585 1 1220 . 1 . 1 106 106 ARG NE N 15 83.848 0.400 . 1 . . . . A 128 ARG NE . 34585 1 1221 . 1 . 1 107 107 THR H H 1 8.528 0.020 . 1 . . . . A 129 THR H . 34585 1 1222 . 1 . 1 107 107 THR HA H 1 5.426 0.020 . 1 . . . . A 129 THR HA . 34585 1 1223 . 1 . 1 107 107 THR HB H 1 4.012 0.020 . 1 . . . . A 129 THR HB . 34585 1 1224 . 1 . 1 107 107 THR HG21 H 1 1.212 0.020 . 1 . . . . A 129 THR HG21 . 34585 1 1225 . 1 . 1 107 107 THR HG22 H 1 1.212 0.020 . 1 . . . . A 129 THR HG22 . 34585 1 1226 . 1 . 1 107 107 THR HG23 H 1 1.212 0.020 . 1 . . . . A 129 THR HG23 . 34585 1 1227 . 1 . 1 107 107 THR C C 13 172.810 0.400 . 1 . . . . A 129 THR C . 34585 1 1228 . 1 . 1 107 107 THR CA C 13 60.172 0.400 . 1 . . . . A 129 THR CA . 34585 1 1229 . 1 . 1 107 107 THR CB C 13 70.388 0.400 . 1 . . . . A 129 THR CB . 34585 1 1230 . 1 . 1 107 107 THR CG2 C 13 23.016 0.400 . 1 . . . . A 129 THR CG2 . 34585 1 1231 . 1 . 1 107 107 THR N N 15 116.443 0.400 . 1 . . . . A 129 THR N . 34585 1 1232 . 1 . 1 108 108 LEU H H 1 9.269 0.020 . 1 . . . . A 130 LEU H . 34585 1 1233 . 1 . 1 108 108 LEU HA H 1 5.225 0.020 . 1 . . . . A 130 LEU HA . 34585 1 1234 . 1 . 1 108 108 LEU HB2 H 1 1.806 0.020 . 2 . . . . A 130 LEU HB2 . 34585 1 1235 . 1 . 1 108 108 LEU HB3 H 1 1.601 0.020 . 2 . . . . A 130 LEU HB3 . 34585 1 1236 . 1 . 1 108 108 LEU HG H 1 1.699 0.020 . 1 . . . . A 130 LEU HG . 34585 1 1237 . 1 . 1 108 108 LEU HD11 H 1 0.935 0.020 . 2 . . . . A 130 LEU HD11 . 34585 1 1238 . 1 . 1 108 108 LEU HD12 H 1 0.935 0.020 . 2 . . . . A 130 LEU HD12 . 34585 1 1239 . 1 . 1 108 108 LEU HD13 H 1 0.935 0.020 . 2 . . . . A 130 LEU HD13 . 34585 1 1240 . 1 . 1 108 108 LEU HD21 H 1 0.937 0.020 . 2 . . . . A 130 LEU HD21 . 34585 1 1241 . 1 . 1 108 108 LEU HD22 H 1 0.937 0.020 . 2 . . . . A 130 LEU HD22 . 34585 1 1242 . 1 . 1 108 108 LEU HD23 H 1 0.937 0.020 . 2 . . . . A 130 LEU HD23 . 34585 1 1243 . 1 . 1 108 108 LEU C C 13 176.606 0.400 . 1 . . . . A 130 LEU C . 34585 1 1244 . 1 . 1 108 108 LEU CA C 13 54.350 0.400 . 1 . . . . A 130 LEU CA . 34585 1 1245 . 1 . 1 108 108 LEU CB C 13 45.088 0.400 . 1 . . . . A 130 LEU CB . 34585 1 1246 . 1 . 1 108 108 LEU CG C 13 28.551 0.400 . 1 . . . . A 130 LEU CG . 34585 1 1247 . 1 . 1 108 108 LEU CD1 C 13 25.317 0.400 . 2 . . . . A 130 LEU CD1 . 34585 1 1248 . 1 . 1 108 108 LEU CD2 C 13 25.363 0.400 . 2 . . . . A 130 LEU CD2 . 34585 1 1249 . 1 . 1 108 108 LEU N N 15 125.886 0.400 . 1 . . . . A 130 LEU N . 34585 1 1250 . 1 . 1 109 109 SER H H 1 8.550 0.020 . 1 . . . . A 131 SER H . 34585 1 1251 . 1 . 1 109 109 SER HA H 1 6.010 0.020 . 1 . . . . A 131 SER HA . 34585 1 1252 . 1 . 1 109 109 SER HB2 H 1 3.391 0.020 . 2 . . . . A 131 SER HB2 . 34585 1 1253 . 1 . 1 109 109 SER HB3 H 1 3.580 0.020 . 2 . . . . A 131 SER HB3 . 34585 1 1254 . 1 . 1 109 109 SER C C 13 173.708 0.400 . 1 . . . . A 131 SER C . 34585 1 1255 . 1 . 1 109 109 SER CA C 13 57.716 0.400 . 1 . . . . A 131 SER CA . 34585 1 1256 . 1 . 1 109 109 SER CB C 13 66.632 0.400 . 1 . . . . A 131 SER CB . 34585 1 1257 . 1 . 1 109 109 SER N N 15 115.488 0.400 . 1 . . . . A 131 SER N . 34585 1 1258 . 1 . 1 110 110 TYR H H 1 8.268 0.020 . 1 . . . . A 132 TYR H . 34585 1 1259 . 1 . 1 110 110 TYR HA H 1 4.489 0.020 . 1 . . . . A 132 TYR HA . 34585 1 1260 . 1 . 1 110 110 TYR HB2 H 1 3.568 0.020 . 2 . . . . A 132 TYR HB2 . 34585 1 1261 . 1 . 1 110 110 TYR HB3 H 1 2.847 0.020 . 2 . . . . A 132 TYR HB3 . 34585 1 1262 . 1 . 1 110 110 TYR HD1 H 1 6.765 0.020 . 1 . . . . A 132 TYR HD1 . 34585 1 1263 . 1 . 1 110 110 TYR HD2 H 1 6.766 0.020 . 1 . . . . A 132 TYR HD2 . 34585 1 1264 . 1 . 1 110 110 TYR HE1 H 1 6.658 0.020 . 1 . . . . A 132 TYR HE1 . 34585 1 1265 . 1 . 1 110 110 TYR HE2 H 1 6.658 0.020 . 1 . . . . A 132 TYR HE2 . 34585 1 1266 . 1 . 1 110 110 TYR C C 13 172.457 0.400 . 1 . . . . A 132 TYR C . 34585 1 1267 . 1 . 1 110 110 TYR CA C 13 56.566 0.400 . 1 . . . . A 132 TYR CA . 34585 1 1268 . 1 . 1 110 110 TYR CB C 13 38.234 0.400 . 1 . . . . A 132 TYR CB . 34585 1 1269 . 1 . 1 110 110 TYR CD1 C 13 134.144 0.400 . 3 . . . . A 132 TYR CD1 . 34585 1 1270 . 1 . 1 110 110 TYR CD2 C 13 134.159 0.400 . 3 . . . . A 132 TYR CD2 . 34585 1 1271 . 1 . 1 110 110 TYR CE1 C 13 116.789 0.400 . 3 . . . . A 132 TYR CE1 . 34585 1 1272 . 1 . 1 110 110 TYR CE2 C 13 116.801 0.400 . 3 . . . . A 132 TYR CE2 . 34585 1 1273 . 1 . 1 110 110 TYR N N 15 117.991 0.400 . 1 . . . . A 132 TYR N . 34585 1 1274 . 1 . 1 111 111 CYS H H 1 8.478 0.020 . 1 . . . . A 133 CYS H . 34585 1 1275 . 1 . 1 111 111 CYS HA H 1 5.752 0.020 . 1 . . . . A 133 CYS HA . 34585 1 1276 . 1 . 1 111 111 CYS HB2 H 1 2.376 0.020 . 2 . . . . A 133 CYS HB2 . 34585 1 1277 . 1 . 1 111 111 CYS HB3 H 1 3.365 0.020 . 2 . . . . A 133 CYS HB3 . 34585 1 1278 . 1 . 1 111 111 CYS C C 13 174.813 0.400 . 1 . . . . A 133 CYS C . 34585 1 1279 . 1 . 1 111 111 CYS CA C 13 54.948 0.400 . 1 . . . . A 133 CYS CA . 34585 1 1280 . 1 . 1 111 111 CYS CB C 13 39.195 0.400 . 1 . . . . A 133 CYS CB . 34585 1 1281 . 1 . 1 111 111 CYS N N 15 119.589 0.400 . 1 . . . . A 133 CYS N . 34585 1 1282 . 1 . 1 112 112 ALA H H 1 8.191 0.020 . 1 . . . . A 134 ALA H . 34585 1 1283 . 1 . 1 112 112 ALA HA H 1 4.956 0.020 . 1 . . . . A 134 ALA HA . 34585 1 1284 . 1 . 1 112 112 ALA HB1 H 1 1.622 0.020 . 1 . . . . A 134 ALA HB1 . 34585 1 1285 . 1 . 1 112 112 ALA HB2 H 1 1.622 0.020 . 1 . . . . A 134 ALA HB2 . 34585 1 1286 . 1 . 1 112 112 ALA HB3 H 1 1.622 0.020 . 1 . . . . A 134 ALA HB3 . 34585 1 1287 . 1 . 1 112 112 ALA C C 13 176.308 0.400 . 1 . . . . A 134 ALA C . 34585 1 1288 . 1 . 1 112 112 ALA CA C 13 52.391 0.400 . 1 . . . . A 134 ALA CA . 34585 1 1289 . 1 . 1 112 112 ALA CB C 13 25.306 0.400 . 1 . . . . A 134 ALA CB . 34585 1 1290 . 1 . 1 112 112 ALA N N 15 122.633 0.400 . 1 . . . . A 134 ALA N . 34585 1 1291 . 1 . 1 113 113 TYR H H 1 8.063 0.020 . 1 . . . . A 135 TYR H . 34585 1 1292 . 1 . 1 113 113 TYR HA H 1 4.855 0.020 . 1 . . . . A 135 TYR HA . 34585 1 1293 . 1 . 1 113 113 TYR HB2 H 1 2.754 0.020 . 2 . . . . A 135 TYR HB2 . 34585 1 1294 . 1 . 1 113 113 TYR HB3 H 1 3.330 0.020 . 2 . . . . A 135 TYR HB3 . 34585 1 1295 . 1 . 1 113 113 TYR HD1 H 1 7.285 0.020 . 1 . . . . A 135 TYR HD1 . 34585 1 1296 . 1 . 1 113 113 TYR HD2 H 1 7.285 0.020 . 1 . . . . A 135 TYR HD2 . 34585 1 1297 . 1 . 1 113 113 TYR HE1 H 1 6.813 0.020 . 1 . . . . A 135 TYR HE1 . 34585 1 1298 . 1 . 1 113 113 TYR HE2 H 1 6.810 0.020 . 1 . . . . A 135 TYR HE2 . 34585 1 1299 . 1 . 1 113 113 TYR CA C 13 54.353 0.400 . 1 . . . . A 135 TYR CA . 34585 1 1300 . 1 . 1 113 113 TYR CB C 13 38.142 0.400 . 1 . . . . A 135 TYR CB . 34585 1 1301 . 1 . 1 113 113 TYR CD1 C 13 133.250 0.400 . 3 . . . . A 135 TYR CD1 . 34585 1 1302 . 1 . 1 113 113 TYR CD2 C 13 133.246 0.400 . 3 . . . . A 135 TYR CD2 . 34585 1 1303 . 1 . 1 113 113 TYR CE1 C 13 118.321 0.400 . 3 . . . . A 135 TYR CE1 . 34585 1 1304 . 1 . 1 113 113 TYR CE2 C 13 118.320 0.400 . 3 . . . . A 135 TYR CE2 . 34585 1 1305 . 1 . 1 113 113 TYR N N 15 117.566 0.400 . 1 . . . . A 135 TYR N . 34585 1 1306 . 1 . 1 114 114 PRO HA H 1 4.231 0.020 . 1 . . . . A 136 PRO HA . 34585 1 1307 . 1 . 1 114 114 PRO HB2 H 1 2.127 0.020 . 2 . . . . A 136 PRO HB2 . 34585 1 1308 . 1 . 1 114 114 PRO HG2 H 1 1.827 0.020 . 2 . . . . A 136 PRO HG2 . 34585 1 1309 . 1 . 1 114 114 PRO HD2 H 1 3.981 0.020 . 2 . . . . A 136 PRO HD2 . 34585 1 1310 . 1 . 1 114 114 PRO HD3 H 1 3.961 0.020 . 2 . . . . A 136 PRO HD3 . 34585 1 1311 . 1 . 1 114 114 PRO C C 13 176.454 0.400 . 1 . . . . A 136 PRO C . 34585 1 1312 . 1 . 1 114 114 PRO CA C 13 64.413 0.400 . 1 . . . . A 136 PRO CA . 34585 1 1313 . 1 . 1 114 114 PRO CB C 13 31.209 0.400 . 1 . . . . A 136 PRO CB . 34585 1 1314 . 1 . 1 114 114 PRO CG C 13 27.425 0.400 . 1 . . . . A 136 PRO CG . 34585 1 1315 . 1 . 1 114 114 PRO CD C 13 50.622 0.400 . 1 . . . . A 136 PRO CD . 34585 1 1316 . 1 . 1 115 115 HIS H H 1 7.506 0.020 . 1 . . . . A 137 HIS H . 34585 1 1317 . 1 . 1 115 115 HIS HA H 1 4.730 0.020 . 1 . . . . A 137 HIS HA . 34585 1 1318 . 1 . 1 115 115 HIS HB2 H 1 3.035 0.020 . 2 . . . . A 137 HIS HB2 . 34585 1 1319 . 1 . 1 115 115 HIS HB3 H 1 3.147 0.020 . 2 . . . . A 137 HIS HB3 . 34585 1 1320 . 1 . 1 115 115 HIS C C 13 173.467 0.400 . 1 . . . . A 137 HIS C . 34585 1 1321 . 1 . 1 115 115 HIS CA C 13 55.756 0.400 . 1 . . . . A 137 HIS CA . 34585 1 1322 . 1 . 1 115 115 HIS CB C 13 29.865 0.400 . 1 . . . . A 137 HIS CB . 34585 1 1323 . 1 . 1 115 115 HIS N N 15 117.574 0.400 . 1 . . . . A 137 HIS N . 34585 1 1324 . 1 . 1 116 116 TYR HA H 1 4.254 0.020 . 1 . . . . A 138 TYR HA . 34585 1 1325 . 1 . 1 116 116 TYR HB2 H 1 2.723 0.020 . 2 . . . . A 138 TYR HB2 . 34585 1 1326 . 1 . 1 116 116 TYR HB3 H 1 2.991 0.020 . 2 . . . . A 138 TYR HB3 . 34585 1 1327 . 1 . 1 116 116 TYR HD1 H 1 7.036 0.020 . 1 . . . . A 138 TYR HD1 . 34585 1 1328 . 1 . 1 116 116 TYR HD2 H 1 7.039 0.020 . 1 . . . . A 138 TYR HD2 . 34585 1 1329 . 1 . 1 116 116 TYR HE1 H 1 6.578 0.020 . 1 . . . . A 138 TYR HE1 . 34585 1 1330 . 1 . 1 116 116 TYR HE2 H 1 6.580 0.020 . 1 . . . . A 138 TYR HE2 . 34585 1 1331 . 1 . 1 116 116 TYR CA C 13 55.459 0.400 . 1 . . . . A 138 TYR CA . 34585 1 1332 . 1 . 1 116 116 TYR CB C 13 38.905 0.400 . 1 . . . . A 138 TYR CB . 34585 1 1333 . 1 . 1 116 116 TYR CD1 C 13 133.444 0.400 . 3 . . . . A 138 TYR CD1 . 34585 1 1334 . 1 . 1 116 116 TYR CD2 C 13 133.440 0.400 . 3 . . . . A 138 TYR CD2 . 34585 1 1335 . 1 . 1 116 116 TYR CE1 C 13 117.415 0.400 . 3 . . . . A 138 TYR CE1 . 34585 1 1336 . 1 . 1 116 116 TYR CE2 C 13 117.420 0.400 . 3 . . . . A 138 TYR CE2 . 34585 1 1337 . 1 . 1 117 117 VAL HB H 1 1.994 0.020 . 1 . . . . A 139 VAL HB . 34585 1 1338 . 1 . 1 117 117 VAL HG21 H 1 0.826 0.020 . 2 . . . . A 139 VAL HG21 . 34585 1 1339 . 1 . 1 117 117 VAL HG22 H 1 0.826 0.020 . 2 . . . . A 139 VAL HG22 . 34585 1 1340 . 1 . 1 117 117 VAL HG23 H 1 0.826 0.020 . 2 . . . . A 139 VAL HG23 . 34585 1 1341 . 1 . 1 118 118 ASN HA H 1 4.481 0.020 . 1 . . . . A 140 ASN HA . 34585 1 1342 . 1 . 1 118 118 ASN HB2 H 1 2.846 0.020 . 2 . . . . A 140 ASN HB2 . 34585 1 1343 . 1 . 1 118 118 ASN HB3 H 1 3.143 0.020 . 2 . . . . A 140 ASN HB3 . 34585 1 1344 . 1 . 1 118 118 ASN HD21 H 1 7.033 0.020 . 2 . . . . A 140 ASN HD21 . 34585 1 1345 . 1 . 1 118 118 ASN HD22 H 1 7.719 0.020 . 2 . . . . A 140 ASN HD22 . 34585 1 1346 . 1 . 1 118 118 ASN CB C 13 38.310 0.400 . 1 . . . . A 140 ASN CB . 34585 1 1347 . 1 . 1 118 118 ASN ND2 N 15 111.637 0.400 . 1 . . . . A 140 ASN ND2 . 34585 1 1348 . 1 . 1 119 119 GLY HA3 H 1 4.239 0.020 . 2 . . . . A 141 GLY HA3 . 34585 1 1349 . 1 . 1 119 119 GLY C C 13 173.574 0.400 . 1 . . . . A 141 GLY C . 34585 1 1350 . 1 . 1 119 119 GLY CA C 13 45.373 0.400 . 1 . . . . A 141 GLY CA . 34585 1 1351 . 1 . 1 120 120 THR H H 1 8.049 0.020 . 1 . . . . A 142 THR H . 34585 1 1352 . 1 . 1 120 120 THR HA H 1 4.229 0.020 . 1 . . . . A 142 THR HA . 34585 1 1353 . 1 . 1 120 120 THR HB H 1 3.904 0.020 . 1 . . . . A 142 THR HB . 34585 1 1354 . 1 . 1 120 120 THR CB C 13 71.386 0.400 . 1 . . . . A 142 THR CB . 34585 1 1355 . 1 . 1 120 120 THR N N 15 115.101 0.400 . 1 . . . . A 142 THR N . 34585 1 1356 . 1 . 1 123 123 ARG H H 1 8.180 0.020 . 1 . . . . A 145 ARG H . 34585 1 1357 . 1 . 1 123 123 ARG HB2 H 1 2.282 0.020 . 2 . . . . A 145 ARG HB2 . 34585 1 1358 . 1 . 1 123 123 ARG HB3 H 1 2.536 0.020 . 2 . . . . A 145 ARG HB3 . 34585 1 1359 . 1 . 1 123 123 ARG HG3 H 1 1.638 0.020 . 2 . . . . A 145 ARG HG3 . 34585 1 1360 . 1 . 1 123 123 ARG HD2 H 1 2.744 0.020 . 2 . . . . A 145 ARG HD2 . 34585 1 1361 . 1 . 1 123 123 ARG HD3 H 1 2.744 0.020 . 2 . . . . A 145 ARG HD3 . 34585 1 1362 . 1 . 1 123 123 ARG HE H 1 7.105 0.020 . 1 . . . . A 145 ARG HE . 34585 1 1363 . 1 . 1 123 123 ARG C C 13 175.844 0.400 . 1 . . . . A 145 ARG C . 34585 1 1364 . 1 . 1 123 123 ARG CA C 13 58.371 0.400 . 1 . . . . A 145 ARG CA . 34585 1 1365 . 1 . 1 123 123 ARG CB C 13 27.291 0.400 . 1 . . . . A 145 ARG CB . 34585 1 1366 . 1 . 1 123 123 ARG CG C 13 25.372 0.400 . 1 . . . . A 145 ARG CG . 34585 1 1367 . 1 . 1 123 123 ARG CD C 13 43.873 0.400 . 1 . . . . A 145 ARG CD . 34585 1 1368 . 1 . 1 123 123 ARG NE N 15 81.521 0.400 . 1 . . . . A 145 ARG NE . 34585 1 1369 . 1 . 1 124 124 LEU H H 1 9.214 0.020 . 1 . . . . A 146 LEU H . 34585 1 1370 . 1 . 1 124 124 LEU HA H 1 4.531 0.020 . 1 . . . . A 146 LEU HA . 34585 1 1371 . 1 . 1 124 124 LEU HB2 H 1 1.071 0.020 . 2 . . . . A 146 LEU HB2 . 34585 1 1372 . 1 . 1 124 124 LEU HB3 H 1 1.677 0.020 . 2 . . . . A 146 LEU HB3 . 34585 1 1373 . 1 . 1 124 124 LEU HG H 1 1.333 0.020 . 1 . . . . A 146 LEU HG . 34585 1 1374 . 1 . 1 124 124 LEU HD11 H 1 0.858 0.020 . 2 . . . . A 146 LEU HD11 . 34585 1 1375 . 1 . 1 124 124 LEU HD12 H 1 0.858 0.020 . 2 . . . . A 146 LEU HD12 . 34585 1 1376 . 1 . 1 124 124 LEU HD13 H 1 0.858 0.020 . 2 . . . . A 146 LEU HD13 . 34585 1 1377 . 1 . 1 124 124 LEU HD21 H 1 0.237 0.020 . 2 . . . . A 146 LEU HD21 . 34585 1 1378 . 1 . 1 124 124 LEU HD22 H 1 0.237 0.020 . 2 . . . . A 146 LEU HD22 . 34585 1 1379 . 1 . 1 124 124 LEU HD23 H 1 0.237 0.020 . 2 . . . . A 146 LEU HD23 . 34585 1 1380 . 1 . 1 124 124 LEU C C 13 176.865 0.400 . 1 . . . . A 146 LEU C . 34585 1 1381 . 1 . 1 124 124 LEU CA C 13 54.193 0.400 . 1 . . . . A 146 LEU CA . 34585 1 1382 . 1 . 1 124 124 LEU CB C 13 45.372 0.400 . 1 . . . . A 146 LEU CB . 34585 1 1383 . 1 . 1 124 124 LEU CG C 13 27.153 0.400 . 1 . . . . A 146 LEU CG . 34585 1 1384 . 1 . 1 124 124 LEU CD1 C 13 22.770 0.400 . 2 . . . . A 146 LEU CD1 . 34585 1 1385 . 1 . 1 124 124 LEU CD2 C 13 25.339 0.400 . 2 . . . . A 146 LEU CD2 . 34585 1 1386 . 1 . 1 124 124 LEU N N 15 122.031 0.400 . 1 . . . . A 146 LEU N . 34585 1 1387 . 1 . 1 125 125 SER H H 1 7.914 0.020 . 1 . . . . A 147 SER H . 34585 1 1388 . 1 . 1 125 125 SER HA H 1 4.811 0.020 . 1 . . . . A 147 SER HA . 34585 1 1389 . 1 . 1 125 125 SER HB2 H 1 3.683 0.020 . 2 . . . . A 147 SER HB2 . 34585 1 1390 . 1 . 1 125 125 SER HB3 H 1 4.275 0.020 . 2 . . . . A 147 SER HB3 . 34585 1 1391 . 1 . 1 125 125 SER C C 13 172.949 0.400 . 1 . . . . A 147 SER C . 34585 1 1392 . 1 . 1 125 125 SER CA C 13 57.738 0.400 . 1 . . . . A 147 SER CA . 34585 1 1393 . 1 . 1 125 125 SER CB C 13 68.667 0.400 . 1 . . . . A 147 SER CB . 34585 1 1394 . 1 . 1 125 125 SER N N 15 114.465 0.400 . 1 . . . . A 147 SER N . 34585 1 1395 . 1 . 1 126 126 GLN H H 1 8.974 0.020 . 1 . . . . A 148 GLN H . 34585 1 1396 . 1 . 1 126 126 GLN HA H 1 4.158 0.020 . 1 . . . . A 148 GLN HA . 34585 1 1397 . 1 . 1 126 126 GLN HB2 H 1 2.313 0.020 . 2 . . . . A 148 GLN HB2 . 34585 1 1398 . 1 . 1 126 126 GLN HB3 H 1 1.865 0.020 . 2 . . . . A 148 GLN HB3 . 34585 1 1399 . 1 . 1 126 126 GLN HG2 H 1 2.423 0.020 . 2 . . . . A 148 GLN HG2 . 34585 1 1400 . 1 . 1 126 126 GLN HG3 H 1 2.540 0.020 . 2 . . . . A 148 GLN HG3 . 34585 1 1401 . 1 . 1 126 126 GLN HE21 H 1 7.512 0.020 . 2 . . . . A 148 GLN HE21 . 34585 1 1402 . 1 . 1 126 126 GLN HE22 H 1 6.926 0.020 . 2 . . . . A 148 GLN HE22 . 34585 1 1403 . 1 . 1 126 126 GLN C C 13 175.109 0.400 . 1 . . . . A 148 GLN C . 34585 1 1404 . 1 . 1 126 126 GLN CA C 13 57.163 0.400 . 1 . . . . A 148 GLN CA . 34585 1 1405 . 1 . 1 126 126 GLN CB C 13 30.542 0.400 . 1 . . . . A 148 GLN CB . 34585 1 1406 . 1 . 1 126 126 GLN CG C 13 35.690 0.400 . 1 . . . . A 148 GLN CG . 34585 1 1407 . 1 . 1 126 126 GLN N N 15 118.348 0.400 . 1 . . . . A 148 GLN N . 34585 1 1408 . 1 . 1 126 126 GLN NE2 N 15 113.748 0.400 . 1 . . . . A 148 GLN NE2 . 34585 1 1409 . 1 . 1 127 127 VAL H H 1 8.976 0.020 . 1 . . . . A 149 VAL H . 34585 1 1410 . 1 . 1 127 127 VAL HA H 1 4.405 0.020 . 1 . . . . A 149 VAL HA . 34585 1 1411 . 1 . 1 127 127 VAL HB H 1 2.021 0.020 . 1 . . . . A 149 VAL HB . 34585 1 1412 . 1 . 1 127 127 VAL HG11 H 1 0.811 0.020 . 2 . . . . A 149 VAL HG11 . 34585 1 1413 . 1 . 1 127 127 VAL HG12 H 1 0.811 0.020 . 2 . . . . A 149 VAL HG12 . 34585 1 1414 . 1 . 1 127 127 VAL HG13 H 1 0.811 0.020 . 2 . . . . A 149 VAL HG13 . 34585 1 1415 . 1 . 1 127 127 VAL HG21 H 1 1.013 0.020 . 2 . . . . A 149 VAL HG21 . 34585 1 1416 . 1 . 1 127 127 VAL HG22 H 1 1.013 0.020 . 2 . . . . A 149 VAL HG22 . 34585 1 1417 . 1 . 1 127 127 VAL HG23 H 1 1.013 0.020 . 2 . . . . A 149 VAL HG23 . 34585 1 1418 . 1 . 1 127 127 VAL C C 13 177.500 0.400 . 1 . . . . A 149 VAL C . 34585 1 1419 . 1 . 1 127 127 VAL CA C 13 62.701 0.400 . 1 . . . . A 149 VAL CA . 34585 1 1420 . 1 . 1 127 127 VAL CB C 13 33.146 0.400 . 1 . . . . A 149 VAL CB . 34585 1 1421 . 1 . 1 127 127 VAL CG1 C 13 21.438 0.400 . 2 . . . . A 149 VAL CG1 . 34585 1 1422 . 1 . 1 127 127 VAL CG2 C 13 22.505 0.400 . 2 . . . . A 149 VAL CG2 . 34585 1 1423 . 1 . 1 127 127 VAL N N 15 120.980 0.400 . 1 . . . . A 149 VAL N . 34585 1 1424 . 1 . 1 128 128 SER H H 1 9.219 0.020 . 1 . . . . A 150 SER H . 34585 1 1425 . 1 . 1 128 128 SER HA H 1 5.025 0.020 . 1 . . . . A 150 SER HA . 34585 1 1426 . 1 . 1 128 128 SER HB2 H 1 3.628 0.020 . 2 . . . . A 150 SER HB2 . 34585 1 1427 . 1 . 1 128 128 SER HB3 H 1 3.903 0.020 . 2 . . . . A 150 SER HB3 . 34585 1 1428 . 1 . 1 128 128 SER C C 13 173.360 0.400 . 1 . . . . A 150 SER C . 34585 1 1429 . 1 . 1 128 128 SER CA C 13 57.188 0.400 . 1 . . . . A 150 SER CA . 34585 1 1430 . 1 . 1 128 128 SER CB C 13 65.092 0.400 . 1 . . . . A 150 SER CB . 34585 1 1431 . 1 . 1 128 128 SER N N 15 124.606 0.400 . 1 . . . . A 150 SER N . 34585 1 1432 . 1 . 1 129 129 VAL H H 1 9.027 0.020 . 1 . . . . A 151 VAL H . 34585 1 1433 . 1 . 1 129 129 VAL HA H 1 5.327 0.020 . 1 . . . . A 151 VAL HA . 34585 1 1434 . 1 . 1 129 129 VAL HB H 1 2.011 0.020 . 1 . . . . A 151 VAL HB . 34585 1 1435 . 1 . 1 129 129 VAL HG11 H 1 0.951 0.020 . 2 . . . . A 151 VAL HG11 . 34585 1 1436 . 1 . 1 129 129 VAL HG12 H 1 0.951 0.020 . 2 . . . . A 151 VAL HG12 . 34585 1 1437 . 1 . 1 129 129 VAL HG13 H 1 0.951 0.020 . 2 . . . . A 151 VAL HG13 . 34585 1 1438 . 1 . 1 129 129 VAL HG21 H 1 0.962 0.020 . 2 . . . . A 151 VAL HG21 . 34585 1 1439 . 1 . 1 129 129 VAL HG22 H 1 0.962 0.020 . 2 . . . . A 151 VAL HG22 . 34585 1 1440 . 1 . 1 129 129 VAL HG23 H 1 0.962 0.020 . 2 . . . . A 151 VAL HG23 . 34585 1 1441 . 1 . 1 129 129 VAL C C 13 176.148 0.400 . 1 . . . . A 151 VAL C . 34585 1 1442 . 1 . 1 129 129 VAL CA C 13 60.774 0.400 . 1 . . . . A 151 VAL CA . 34585 1 1443 . 1 . 1 129 129 VAL CB C 13 33.795 0.400 . 1 . . . . A 151 VAL CB . 34585 1 1444 . 1 . 1 129 129 VAL CG1 C 13 21.057 0.400 . 2 . . . . A 151 VAL CG1 . 34585 1 1445 . 1 . 1 129 129 VAL CG2 C 13 21.229 0.400 . 2 . . . . A 151 VAL CG2 . 34585 1 1446 . 1 . 1 129 129 VAL N N 15 127.331 0.400 . 1 . . . . A 151 VAL N . 34585 1 1447 . 1 . 1 130 130 LYS H H 1 8.671 0.020 . 1 . . . . A 152 LYS H . 34585 1 1448 . 1 . 1 130 130 LYS HA H 1 4.971 0.020 . 1 . . . . A 152 LYS HA . 34585 1 1449 . 1 . 1 130 130 LYS HB2 H 1 1.668 0.020 . 2 . . . . A 152 LYS HB2 . 34585 1 1450 . 1 . 1 130 130 LYS HB3 H 1 1.795 0.020 . 2 . . . . A 152 LYS HB3 . 34585 1 1451 . 1 . 1 130 130 LYS HG2 H 1 1.446 0.020 . 2 . . . . A 152 LYS HG2 . 34585 1 1452 . 1 . 1 130 130 LYS HG3 H 1 1.448 0.020 . 2 . . . . A 152 LYS HG3 . 34585 1 1453 . 1 . 1 130 130 LYS HD2 H 1 1.943 0.020 . 2 . . . . A 152 LYS HD2 . 34585 1 1454 . 1 . 1 130 130 LYS HD3 H 1 1.972 0.020 . 2 . . . . A 152 LYS HD3 . 34585 1 1455 . 1 . 1 130 130 LYS HE2 H 1 3.270 0.020 . 2 . . . . A 152 LYS HE2 . 34585 1 1456 . 1 . 1 130 130 LYS HE3 H 1 3.270 0.020 . 2 . . . . A 152 LYS HE3 . 34585 1 1457 . 1 . 1 130 130 LYS C C 13 176.443 0.400 . 1 . . . . A 152 LYS C . 34585 1 1458 . 1 . 1 130 130 LYS CA C 13 54.592 0.400 . 1 . . . . A 152 LYS CA . 34585 1 1459 . 1 . 1 130 130 LYS CB C 13 34.982 0.400 . 1 . . . . A 152 LYS CB . 34585 1 1460 . 1 . 1 130 130 LYS CG C 13 24.764 0.400 . 1 . . . . A 152 LYS CG . 34585 1 1461 . 1 . 1 130 130 LYS CD C 13 28.355 0.400 . 1 . . . . A 152 LYS CD . 34585 1 1462 . 1 . 1 130 130 LYS CE C 13 42.544 0.400 . 1 . . . . A 152 LYS CE . 34585 1 1463 . 1 . 1 130 130 LYS N N 15 127.823 0.400 . 1 . . . . A 152 LYS N . 34585 1 1464 . 1 . 1 131 131 THR H H 1 9.133 0.020 . 1 . . . . A 153 THR H . 34585 1 1465 . 1 . 1 131 131 THR HA H 1 5.488 0.020 . 1 . . . . A 153 THR HA . 34585 1 1466 . 1 . 1 131 131 THR HB H 1 4.203 0.020 . 1 . . . . A 153 THR HB . 34585 1 1467 . 1 . 1 131 131 THR HG21 H 1 1.160 0.020 . 1 . . . . A 153 THR HG21 . 34585 1 1468 . 1 . 1 131 131 THR HG22 H 1 1.160 0.020 . 1 . . . . A 153 THR HG22 . 34585 1 1469 . 1 . 1 131 131 THR HG23 H 1 1.160 0.020 . 1 . . . . A 153 THR HG23 . 34585 1 1470 . 1 . 1 131 131 THR C C 13 173.882 0.400 . 1 . . . . A 153 THR C . 34585 1 1471 . 1 . 1 131 131 THR CA C 13 60.589 0.400 . 1 . . . . A 153 THR CA . 34585 1 1472 . 1 . 1 131 131 THR CB C 13 70.947 0.400 . 1 . . . . A 153 THR CB . 34585 1 1473 . 1 . 1 131 131 THR CG2 C 13 21.738 0.400 . 1 . . . . A 153 THR CG2 . 34585 1 1474 . 1 . 1 131 131 THR N N 15 122.002 0.400 . 1 . . . . A 153 THR N . 34585 1 1475 . 1 . 1 132 132 PHE H H 1 8.590 0.020 . 1 . . . . A 154 PHE H . 34585 1 1476 . 1 . 1 132 132 PHE HA H 1 5.101 0.020 . 1 . . . . A 154 PHE HA . 34585 1 1477 . 1 . 1 132 132 PHE HB2 H 1 3.316 0.020 . 2 . . . . A 154 PHE HB2 . 34585 1 1478 . 1 . 1 132 132 PHE HB3 H 1 3.268 0.020 . 2 . . . . A 154 PHE HB3 . 34585 1 1479 . 1 . 1 132 132 PHE HD1 H 1 7.040 0.020 . 1 . . . . A 154 PHE HD1 . 34585 1 1480 . 1 . 1 132 132 PHE HD2 H 1 7.038 0.020 . 1 . . . . A 154 PHE HD2 . 34585 1 1481 . 1 . 1 132 132 PHE HE1 H 1 6.853 0.020 . 1 . . . . A 154 PHE HE1 . 34585 1 1482 . 1 . 1 132 132 PHE HE2 H 1 6.853 0.020 . 1 . . . . A 154 PHE HE2 . 34585 1 1483 . 1 . 1 132 132 PHE HZ H 1 6.619 0.020 . 1 . . . . A 154 PHE HZ . 34585 1 1484 . 1 . 1 132 132 PHE C C 13 171.872 0.400 . 1 . . . . A 154 PHE C . 34585 1 1485 . 1 . 1 132 132 PHE CA C 13 56.836 0.400 . 1 . . . . A 154 PHE CA . 34585 1 1486 . 1 . 1 132 132 PHE CB C 13 41.363 0.400 . 1 . . . . A 154 PHE CB . 34585 1 1487 . 1 . 1 132 132 PHE CD1 C 13 132.520 0.400 . 3 . . . . A 154 PHE CD1 . 34585 1 1488 . 1 . 1 132 132 PHE CD2 C 13 132.492 0.400 . 3 . . . . A 154 PHE CD2 . 34585 1 1489 . 1 . 1 132 132 PHE CE1 C 13 130.260 0.400 . 3 . . . . A 154 PHE CE1 . 34585 1 1490 . 1 . 1 132 132 PHE CZ C 13 128.890 0.400 . 1 . . . . A 154 PHE CZ . 34585 1 1491 . 1 . 1 132 132 PHE N N 15 115.912 0.400 . 1 . . . . A 154 PHE N . 34585 1 1492 . 1 . 1 133 133 MET H H 1 9.035 0.020 . 1 . . . . A 155 MET H . 34585 1 1493 . 1 . 1 133 133 MET HA H 1 5.535 0.020 . 1 . . . . A 155 MET HA . 34585 1 1494 . 1 . 1 133 133 MET HB2 H 1 1.855 0.020 . 2 . . . . A 155 MET HB2 . 34585 1 1495 . 1 . 1 133 133 MET HB3 H 1 1.834 0.020 . 2 . . . . A 155 MET HB3 . 34585 1 1496 . 1 . 1 133 133 MET HG2 H 1 2.456 0.020 . 2 . . . . A 155 MET HG2 . 34585 1 1497 . 1 . 1 133 133 MET HG3 H 1 2.460 0.020 . 2 . . . . A 155 MET HG3 . 34585 1 1498 . 1 . 1 133 133 MET HE1 H 1 1.985 0.020 . 1 . . . . A 155 MET HE1 . 34585 1 1499 . 1 . 1 133 133 MET HE2 H 1 1.985 0.020 . 1 . . . . A 155 MET HE2 . 34585 1 1500 . 1 . 1 133 133 MET HE3 H 1 1.985 0.020 . 1 . . . . A 155 MET HE3 . 34585 1 1501 . 1 . 1 133 133 MET C C 13 175.084 0.400 . 1 . . . . A 155 MET C . 34585 1 1502 . 1 . 1 133 133 MET CA C 13 54.381 0.400 . 1 . . . . A 155 MET CA . 34585 1 1503 . 1 . 1 133 133 MET CB C 13 37.261 0.400 . 1 . . . . A 155 MET CB . 34585 1 1504 . 1 . 1 133 133 MET CG C 13 32.258 0.400 . 1 . . . . A 155 MET CG . 34585 1 1505 . 1 . 1 133 133 MET CE C 13 17.317 0.400 . 1 . . . . A 155 MET CE . 34585 1 1506 . 1 . 1 133 133 MET N N 15 119.519 0.400 . 1 . . . . A 155 MET N . 34585 1 1507 . 1 . 1 134 134 VAL H H 1 8.906 0.020 . 1 . . . . A 156 VAL H . 34585 1 1508 . 1 . 1 134 134 VAL HA H 1 4.860 0.020 . 1 . . . . A 156 VAL HA . 34585 1 1509 . 1 . 1 134 134 VAL HB H 1 1.676 0.020 . 1 . . . . A 156 VAL HB . 34585 1 1510 . 1 . 1 134 134 VAL HG11 H 1 0.295 0.020 . 2 . . . . A 156 VAL HG11 . 34585 1 1511 . 1 . 1 134 134 VAL HG12 H 1 0.295 0.020 . 2 . . . . A 156 VAL HG12 . 34585 1 1512 . 1 . 1 134 134 VAL HG13 H 1 0.295 0.020 . 2 . . . . A 156 VAL HG13 . 34585 1 1513 . 1 . 1 134 134 VAL HG21 H 1 1.111 0.020 . 2 . . . . A 156 VAL HG21 . 34585 1 1514 . 1 . 1 134 134 VAL HG22 H 1 1.111 0.020 . 2 . . . . A 156 VAL HG22 . 34585 1 1515 . 1 . 1 134 134 VAL HG23 H 1 1.111 0.020 . 2 . . . . A 156 VAL HG23 . 34585 1 1516 . 1 . 1 134 134 VAL C C 13 173.864 0.400 . 1 . . . . A 156 VAL C . 34585 1 1517 . 1 . 1 134 134 VAL CA C 13 60.626 0.400 . 1 . . . . A 156 VAL CA . 34585 1 1518 . 1 . 1 134 134 VAL CB C 13 34.906 0.400 . 1 . . . . A 156 VAL CB . 34585 1 1519 . 1 . 1 134 134 VAL CG1 C 13 19.930 0.400 . 2 . . . . A 156 VAL CG1 . 34585 1 1520 . 1 . 1 134 134 VAL CG2 C 13 22.788 0.400 . 2 . . . . A 156 VAL CG2 . 34585 1 1521 . 1 . 1 134 134 VAL N N 15 123.247 0.400 . 1 . . . . A 156 VAL N . 34585 1 1522 . 1 . 1 135 135 ASP H H 1 9.004 0.020 . 1 . . . . A 157 ASP H . 34585 1 1523 . 1 . 1 135 135 ASP HA H 1 5.253 0.020 . 1 . . . . A 157 ASP HA . 34585 1 1524 . 1 . 1 135 135 ASP HB2 H 1 2.162 0.020 . 2 . . . . A 157 ASP HB2 . 34585 1 1525 . 1 . 1 135 135 ASP HB3 H 1 2.911 0.020 . 2 . . . . A 157 ASP HB3 . 34585 1 1526 . 1 . 1 135 135 ASP C C 13 174.792 0.400 . 1 . . . . A 157 ASP C . 34585 1 1527 . 1 . 1 135 135 ASP CA C 13 50.104 0.400 . 1 . . . . A 157 ASP CA . 34585 1 1528 . 1 . 1 135 135 ASP CB C 13 43.619 0.400 . 1 . . . . A 157 ASP CB . 34585 1 1529 . 1 . 1 135 135 ASP N N 15 125.574 0.400 . 1 . . . . A 157 ASP N . 34585 1 1530 . 1 . 1 136 136 PRO HA H 1 4.610 0.020 . 1 . . . . A 158 PRO HA . 34585 1 1531 . 1 . 1 136 136 PRO HB2 H 1 2.390 0.020 . 2 . . . . A 158 PRO HB2 . 34585 1 1532 . 1 . 1 136 136 PRO HB3 H 1 2.195 0.020 . 2 . . . . A 158 PRO HB3 . 34585 1 1533 . 1 . 1 136 136 PRO HG2 H 1 1.925 0.020 . 2 . . . . A 158 PRO HG2 . 34585 1 1534 . 1 . 1 136 136 PRO HG3 H 1 1.926 0.020 . 2 . . . . A 158 PRO HG3 . 34585 1 1535 . 1 . 1 136 136 PRO HD2 H 1 3.926 0.020 . 2 . . . . A 158 PRO HD2 . 34585 1 1536 . 1 . 1 136 136 PRO HD3 H 1 3.677 0.020 . 2 . . . . A 158 PRO HD3 . 34585 1 1537 . 1 . 1 136 136 PRO C C 13 176.771 0.400 . 1 . . . . A 158 PRO C . 34585 1 1538 . 1 . 1 136 136 PRO CA C 13 63.227 0.400 . 1 . . . . A 158 PRO CA . 34585 1 1539 . 1 . 1 136 136 PRO CB C 13 32.351 0.400 . 1 . . . . A 158 PRO CB . 34585 1 1540 . 1 . 1 136 136 PRO CG C 13 26.719 0.400 . 1 . . . . A 158 PRO CG . 34585 1 1541 . 1 . 1 136 136 PRO CD C 13 50.700 0.400 . 1 . . . . A 158 PRO CD . 34585 1 1542 . 1 . 1 137 137 ALA H H 1 8.510 0.020 . 1 . . . . A 159 ALA H . 34585 1 1543 . 1 . 1 137 137 ALA HA H 1 4.315 0.020 . 1 . . . . A 159 ALA HA . 34585 1 1544 . 1 . 1 137 137 ALA HB1 H 1 1.412 0.020 . 1 . . . . A 159 ALA HB1 . 34585 1 1545 . 1 . 1 137 137 ALA HB2 H 1 1.412 0.020 . 1 . . . . A 159 ALA HB2 . 34585 1 1546 . 1 . 1 137 137 ALA HB3 H 1 1.412 0.020 . 1 . . . . A 159 ALA HB3 . 34585 1 1547 . 1 . 1 137 137 ALA C C 13 178.315 0.400 . 1 . . . . A 159 ALA C . 34585 1 1548 . 1 . 1 137 137 ALA CA C 13 53.074 0.400 . 1 . . . . A 159 ALA CA . 34585 1 1549 . 1 . 1 137 137 ALA CB C 13 19.182 0.400 . 1 . . . . A 159 ALA CB . 34585 1 1550 . 1 . 1 137 137 ALA N N 15 122.973 0.400 . 1 . . . . A 159 ALA N . 34585 1 1551 . 1 . 1 138 138 LEU H H 1 7.648 0.020 . 1 . . . . A 160 LEU H . 34585 1 1552 . 1 . 1 138 138 LEU HA H 1 4.271 0.020 . 1 . . . . A 160 LEU HA . 34585 1 1553 . 1 . 1 138 138 LEU HB2 H 1 1.701 0.020 . 2 . . . . A 160 LEU HB2 . 34585 1 1554 . 1 . 1 138 138 LEU HB3 H 1 1.579 0.020 . 2 . . . . A 160 LEU HB3 . 34585 1 1555 . 1 . 1 138 138 LEU HG H 1 1.563 0.020 . 1 . . . . A 160 LEU HG . 34585 1 1556 . 1 . 1 138 138 LEU HD11 H 1 0.817 0.020 . 2 . . . . A 160 LEU HD11 . 34585 1 1557 . 1 . 1 138 138 LEU HD12 H 1 0.817 0.020 . 2 . . . . A 160 LEU HD12 . 34585 1 1558 . 1 . 1 138 138 LEU HD13 H 1 0.817 0.020 . 2 . . . . A 160 LEU HD13 . 34585 1 1559 . 1 . 1 138 138 LEU HD21 H 1 0.828 0.020 . 2 . . . . A 160 LEU HD21 . 34585 1 1560 . 1 . 1 138 138 LEU HD22 H 1 0.828 0.020 . 2 . . . . A 160 LEU HD22 . 34585 1 1561 . 1 . 1 138 138 LEU HD23 H 1 0.828 0.020 . 2 . . . . A 160 LEU HD23 . 34585 1 1562 . 1 . 1 138 138 LEU C C 13 176.669 0.400 . 1 . . . . A 160 LEU C . 34585 1 1563 . 1 . 1 138 138 LEU CA C 13 55.097 0.400 . 1 . . . . A 160 LEU CA . 34585 1 1564 . 1 . 1 138 138 LEU CB C 13 42.269 0.400 . 1 . . . . A 160 LEU CB . 34585 1 1565 . 1 . 1 138 138 LEU CG C 13 26.971 0.400 . 1 . . . . A 160 LEU CG . 34585 1 1566 . 1 . 1 138 138 LEU CD1 C 13 22.625 0.400 . 2 . . . . A 160 LEU CD1 . 34585 1 1567 . 1 . 1 138 138 LEU CD2 C 13 25.290 0.400 . 2 . . . . A 160 LEU CD2 . 34585 1 1568 . 1 . 1 138 138 LEU N N 15 118.400 0.400 . 1 . . . . A 160 LEU N . 34585 1 1569 . 1 . 1 139 139 ASN H H 1 8.230 0.020 . 1 . . . . A 161 ASN H . 34585 1 1570 . 1 . 1 139 139 ASN HA H 1 4.611 0.020 . 1 . . . . A 161 ASN HA . 34585 1 1571 . 1 . 1 139 139 ASN HB2 H 1 2.775 0.020 . 2 . . . . A 161 ASN HB2 . 34585 1 1572 . 1 . 1 139 139 ASN HB3 H 1 2.861 0.020 . 2 . . . . A 161 ASN HB3 . 34585 1 1573 . 1 . 1 139 139 ASN HD21 H 1 6.747 0.020 . 2 . . . . A 161 ASN HD21 . 34585 1 1574 . 1 . 1 139 139 ASN HD22 H 1 7.536 0.020 . 2 . . . . A 161 ASN HD22 . 34585 1 1575 . 1 . 1 139 139 ASN C C 13 175.351 0.400 . 1 . . . . A 161 ASN C . 34585 1 1576 . 1 . 1 139 139 ASN CA C 13 53.705 0.400 . 1 . . . . A 161 ASN CA . 34585 1 1577 . 1 . 1 139 139 ASN CB C 13 38.906 0.400 . 1 . . . . A 161 ASN CB . 34585 1 1578 . 1 . 1 139 139 ASN N N 15 119.423 0.400 . 1 . . . . A 161 ASN N . 34585 1 1579 . 1 . 1 139 139 ASN ND2 N 15 111.580 0.400 . 1 . . . . A 161 ASN ND2 . 34585 1 1580 . 1 . 1 140 140 LEU H H 1 8.126 0.020 . 1 . . . . A 162 LEU H . 34585 1 1581 . 1 . 1 140 140 LEU HA H 1 4.260 0.020 . 1 . . . . A 162 LEU HA . 34585 1 1582 . 1 . 1 140 140 LEU HB2 H 1 1.576 0.020 . 2 . . . . A 162 LEU HB2 . 34585 1 1583 . 1 . 1 140 140 LEU HB3 H 1 1.581 0.020 . 2 . . . . A 162 LEU HB3 . 34585 1 1584 . 1 . 1 140 140 LEU HG H 1 1.568 0.020 . 1 . . . . A 162 LEU HG . 34585 1 1585 . 1 . 1 140 140 LEU HD11 H 1 0.849 0.020 . 2 . . . . A 162 LEU HD11 . 34585 1 1586 . 1 . 1 140 140 LEU HD12 H 1 0.849 0.020 . 2 . . . . A 162 LEU HD12 . 34585 1 1587 . 1 . 1 140 140 LEU HD13 H 1 0.849 0.020 . 2 . . . . A 162 LEU HD13 . 34585 1 1588 . 1 . 1 140 140 LEU HD21 H 1 0.837 0.020 . 2 . . . . A 162 LEU HD21 . 34585 1 1589 . 1 . 1 140 140 LEU HD22 H 1 0.837 0.020 . 2 . . . . A 162 LEU HD22 . 34585 1 1590 . 1 . 1 140 140 LEU HD23 H 1 0.837 0.020 . 2 . . . . A 162 LEU HD23 . 34585 1 1591 . 1 . 1 140 140 LEU C C 13 177.365 0.400 . 1 . . . . A 162 LEU C . 34585 1 1592 . 1 . 1 140 140 LEU CA C 13 55.221 0.400 . 1 . . . . A 162 LEU CA . 34585 1 1593 . 1 . 1 140 140 LEU CB C 13 42.301 0.400 . 1 . . . . A 162 LEU CB . 34585 1 1594 . 1 . 1 140 140 LEU CG C 13 26.938 0.400 . 1 . . . . A 162 LEU CG . 34585 1 1595 . 1 . 1 140 140 LEU N N 15 121.898 0.400 . 1 . . . . A 162 LEU N . 34585 1 1596 . 1 . 1 141 141 GLU H H 1 8.266 0.020 . 1 . . . . A 163 GLU H . 34585 1 1597 . 1 . 1 141 141 GLU HA H 1 4.163 0.020 . 1 . . . . A 163 GLU HA . 34585 1 1598 . 1 . 1 141 141 GLU HB2 H 1 1.891 0.020 . 2 . . . . A 163 GLU HB2 . 34585 1 1599 . 1 . 1 141 141 GLU HG2 H 1 2.141 0.020 . 2 . . . . A 163 GLU HG2 . 34585 1 1600 . 1 . 1 141 141 GLU HG3 H 1 2.184 0.020 . 2 . . . . A 163 GLU HG3 . 34585 1 1601 . 1 . 1 141 141 GLU C C 13 176.283 0.400 . 1 . . . . A 163 GLU C . 34585 1 1602 . 1 . 1 141 141 GLU CA C 13 56.811 0.400 . 1 . . . . A 163 GLU CA . 34585 1 1603 . 1 . 1 141 141 GLU CB C 13 30.021 0.400 . 1 . . . . A 163 GLU CB . 34585 1 1604 . 1 . 1 141 141 GLU N N 15 120.602 0.400 . 1 . . . . A 163 GLU N . 34585 1 1605 . 1 . 1 142 142 HIS H H 1 8.279 0.020 . 1 . . . . A 164 HIS H . 34585 1 1606 . 1 . 1 142 142 HIS HB2 H 1 3.073 0.020 . 2 . . . . A 164 HIS HB2 . 34585 1 1607 . 1 . 1 142 142 HIS HB3 H 1 3.211 0.020 . 2 . . . . A 164 HIS HB3 . 34585 1 1608 . 1 . 1 142 142 HIS HD2 H 1 7.044 0.020 . 1 . . . . A 164 HIS HD2 . 34585 1 1609 . 1 . 1 142 142 HIS C C 13 174.673 0.400 . 1 . . . . A 164 HIS C . 34585 1 1610 . 1 . 1 142 142 HIS CA C 13 55.673 0.400 . 1 . . . . A 164 HIS CA . 34585 1 1611 . 1 . 1 142 142 HIS CB C 13 29.985 0.400 . 1 . . . . A 164 HIS CB . 34585 1 1612 . 1 . 1 142 142 HIS CD2 C 13 119.773 0.400 . 1 . . . . A 164 HIS CD2 . 34585 1 1613 . 1 . 1 142 142 HIS N N 15 119.306 0.400 . 1 . . . . A 164 HIS N . 34585 1 stop_ save_