data_34013 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34013 _Entry.Title ; Solution structure of BOLA1 from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-21 _Entry.Accession_date 2016-06-21 _Entry.Last_release_date 2016-08-26 _Entry.Original_release_date 2016-08-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 V. Nasta V. . . . 34013 2 S. 'Ciofi Baffoni' S. . . . 34013 3 L. Banci L. . . . 34013 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Fe/S protein biogenesis' . 34013 'UNKNOWN FUNCTION' . 34013 'class II KH-like fold' . 34013 'mitochondrial protein' . 34013 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34013 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 34013 '15N chemical shifts' 126 34013 '1H chemical shifts' 778 34013 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 . . 2017-02-21 2016-06-22 update BMRB 'update entry citation' 34013 1 . . 2016-08-26 2016-06-22 original author 'original release' 34013 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LCI 'BMRB Entry Tracking System' 34013 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34013 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27532772 _Citation.Full_citation . _Citation.Title ; Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e16673 _Citation.Page_last e16673 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Uzarska M. A. . . 34013 1 2 V. Nasta V. . . . 34013 1 3 B. Weiler B. D. . . 34013 1 4 F. Spantgar F. . . . 34013 1 5 S. Ciofi-Baffoni S. . . . 34013 1 6 M. Saviello M. R. . . 34013 1 7 L. Gonnelli L. . . . 34013 1 8 U. 'M hlenhoff' U. . . . 34013 1 9 L. Banci L. . . . 34013 1 10 R. Lill R. . . . 34013 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34013 _Assembly.ID 1 _Assembly.Name 'BolA-like protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34013 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34013 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'BolA-like protein 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 ; GIDPFTQGSAGSGAIGPVEA AIRTKLEEALSPEVLELRNE SGGHAVPPGSETHFRVAVVS SRFEGLSPLQRHRLVHAALA EELGGPVHALAIQARTPAQW RENSQLDTSPPCLGGNKKTL GTP ; _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 123 _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 12875.399 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; GIDPFT sequence at the N-terminus is added by cloning. The mitochondrial-targeting sequence (MLSGRLVLGLVSMAGRVCLC) has been removed. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hBolA na 34013 1 stop_ 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 15 GLY . 34013 1 2 16 ILE . 34013 1 3 17 ASP . 34013 1 4 18 PRO . 34013 1 5 19 PHE . 34013 1 6 20 THR . 34013 1 7 21 GLN . 34013 1 8 22 GLY . 34013 1 9 23 SER . 34013 1 10 24 ALA . 34013 1 11 25 GLY . 34013 1 12 26 SER . 34013 1 13 27 GLY . 34013 1 14 28 ALA . 34013 1 15 29 ILE . 34013 1 16 30 GLY . 34013 1 17 31 PRO . 34013 1 18 32 VAL . 34013 1 19 33 GLU . 34013 1 20 34 ALA . 34013 1 21 35 ALA . 34013 1 22 36 ILE . 34013 1 23 37 ARG . 34013 1 24 38 THR . 34013 1 25 39 LYS . 34013 1 26 40 LEU . 34013 1 27 41 GLU . 34013 1 28 42 GLU . 34013 1 29 43 ALA . 34013 1 30 44 LEU . 34013 1 31 45 SER . 34013 1 32 46 PRO . 34013 1 33 47 GLU . 34013 1 34 48 VAL . 34013 1 35 49 LEU . 34013 1 36 50 GLU . 34013 1 37 51 LEU . 34013 1 38 52 ARG . 34013 1 39 53 ASN . 34013 1 40 54 GLU . 34013 1 41 55 SER . 34013 1 42 56 GLY . 34013 1 43 57 GLY . 34013 1 44 58 HIS . 34013 1 45 59 ALA . 34013 1 46 60 VAL . 34013 1 47 61 PRO . 34013 1 48 62 PRO . 34013 1 49 63 GLY . 34013 1 50 64 SER . 34013 1 51 65 GLU . 34013 1 52 66 THR . 34013 1 53 67 HIS . 34013 1 54 68 PHE . 34013 1 55 69 ARG . 34013 1 56 70 VAL . 34013 1 57 71 ALA . 34013 1 58 72 VAL . 34013 1 59 73 VAL . 34013 1 60 74 SER . 34013 1 61 75 SER . 34013 1 62 76 ARG . 34013 1 63 77 PHE . 34013 1 64 78 GLU . 34013 1 65 79 GLY . 34013 1 66 80 LEU . 34013 1 67 81 SER . 34013 1 68 82 PRO . 34013 1 69 83 LEU . 34013 1 70 84 GLN . 34013 1 71 85 ARG . 34013 1 72 86 HIS . 34013 1 73 87 ARG . 34013 1 74 88 LEU . 34013 1 75 89 VAL . 34013 1 76 90 HIS . 34013 1 77 91 ALA . 34013 1 78 92 ALA . 34013 1 79 93 LEU . 34013 1 80 94 ALA . 34013 1 81 95 GLU . 34013 1 82 96 GLU . 34013 1 83 97 LEU . 34013 1 84 98 GLY . 34013 1 85 99 GLY . 34013 1 86 100 PRO . 34013 1 87 101 VAL . 34013 1 88 102 HIS . 34013 1 89 103 ALA . 34013 1 90 104 LEU . 34013 1 91 105 ALA . 34013 1 92 106 ILE . 34013 1 93 107 GLN . 34013 1 94 108 ALA . 34013 1 95 109 ARG . 34013 1 96 110 THR . 34013 1 97 111 PRO . 34013 1 98 112 ALA . 34013 1 99 113 GLN . 34013 1 100 114 TRP . 34013 1 101 115 ARG . 34013 1 102 116 GLU . 34013 1 103 117 ASN . 34013 1 104 118 SER . 34013 1 105 119 GLN . 34013 1 106 120 LEU . 34013 1 107 121 ASP . 34013 1 108 122 THR . 34013 1 109 123 SER . 34013 1 110 124 PRO . 34013 1 111 125 PRO . 34013 1 112 126 CYS . 34013 1 113 127 LEU . 34013 1 114 128 GLY . 34013 1 115 129 GLY . 34013 1 116 130 ASN . 34013 1 117 131 LYS . 34013 1 118 132 LYS . 34013 1 119 133 THR . 34013 1 120 134 LEU . 34013 1 121 135 GLY . 34013 1 122 136 THR . 34013 1 123 137 PRO . 34013 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 . GLY 1 1 34013 1 . ILE 2 2 34013 1 . ASP 3 3 34013 1 . PRO 4 4 34013 1 . PHE 5 5 34013 1 . THR 6 6 34013 1 . GLN 7 7 34013 1 . GLY 8 8 34013 1 . SER 9 9 34013 1 . ALA 10 10 34013 1 . GLY 11 11 34013 1 . SER 12 12 34013 1 . GLY 13 13 34013 1 . ALA 14 14 34013 1 . ILE 15 15 34013 1 . GLY 16 16 34013 1 . PRO 17 17 34013 1 . VAL 18 18 34013 1 . GLU 19 19 34013 1 . ALA 20 20 34013 1 . ALA 21 21 34013 1 . ILE 22 22 34013 1 . ARG 23 23 34013 1 . THR 24 24 34013 1 . LYS 25 25 34013 1 . LEU 26 26 34013 1 . GLU 27 27 34013 1 . GLU 28 28 34013 1 . ALA 29 29 34013 1 . LEU 30 30 34013 1 . SER 31 31 34013 1 . PRO 32 32 34013 1 . GLU 33 33 34013 1 . VAL 34 34 34013 1 . LEU 35 35 34013 1 . GLU 36 36 34013 1 . LEU 37 37 34013 1 . ARG 38 38 34013 1 . ASN 39 39 34013 1 . GLU 40 40 34013 1 . SER 41 41 34013 1 . GLY 42 42 34013 1 . GLY 43 43 34013 1 . HIS 44 44 34013 1 . ALA 45 45 34013 1 . VAL 46 46 34013 1 . PRO 47 47 34013 1 . PRO 48 48 34013 1 . GLY 49 49 34013 1 . SER 50 50 34013 1 . GLU 51 51 34013 1 . THR 52 52 34013 1 . HIS 53 53 34013 1 . PHE 54 54 34013 1 . ARG 55 55 34013 1 . VAL 56 56 34013 1 . ALA 57 57 34013 1 . VAL 58 58 34013 1 . VAL 59 59 34013 1 . SER 60 60 34013 1 . SER 61 61 34013 1 . ARG 62 62 34013 1 . PHE 63 63 34013 1 . GLU 64 64 34013 1 . GLY 65 65 34013 1 . LEU 66 66 34013 1 . SER 67 67 34013 1 . PRO 68 68 34013 1 . LEU 69 69 34013 1 . GLN 70 70 34013 1 . ARG 71 71 34013 1 . HIS 72 72 34013 1 . ARG 73 73 34013 1 . LEU 74 74 34013 1 . VAL 75 75 34013 1 . HIS 76 76 34013 1 . ALA 77 77 34013 1 . ALA 78 78 34013 1 . LEU 79 79 34013 1 . ALA 80 80 34013 1 . GLU 81 81 34013 1 . GLU 82 82 34013 1 . LEU 83 83 34013 1 . GLY 84 84 34013 1 . GLY 85 85 34013 1 . PRO 86 86 34013 1 . VAL 87 87 34013 1 . HIS 88 88 34013 1 . ALA 89 89 34013 1 . LEU 90 90 34013 1 . ALA 91 91 34013 1 . ILE 92 92 34013 1 . GLN 93 93 34013 1 . ALA 94 94 34013 1 . ARG 95 95 34013 1 . THR 96 96 34013 1 . PRO 97 97 34013 1 . ALA 98 98 34013 1 . GLN 99 99 34013 1 . TRP 100 100 34013 1 . ARG 101 101 34013 1 . GLU 102 102 34013 1 . ASN 103 103 34013 1 . SER 104 104 34013 1 . GLN 105 105 34013 1 . LEU 106 106 34013 1 . ASP 107 107 34013 1 . THR 108 108 34013 1 . SER 109 109 34013 1 . PRO 110 110 34013 1 . PRO 111 111 34013 1 . CYS 112 112 34013 1 . LEU 113 113 34013 1 . GLY 114 114 34013 1 . GLY 115 115 34013 1 . ASN 116 116 34013 1 . LYS 117 117 34013 1 . LYS 118 118 34013 1 . THR 119 119 34013 1 . LEU 120 120 34013 1 . GLY 121 121 34013 1 . THR 122 122 34013 1 . PRO 123 123 34013 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 34013 _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 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BOLA1, CGI-143' . 34013 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 34013 _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' . . 469008 Escherichia coli BL21(DE3) GOLD . . . . pET151 . . . 34013 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34013 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 34013 1 2 'mitochondrial BOLA1 protein' '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34013 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34013 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34013 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34013 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34013 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] mitochondrial BOLA1 protein, 50 mM potassium phosphate, 5 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 34013 2 2 'mitochondrial BOLA1 protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34013 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34013 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34013 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34013 2 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 34013 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34013 1 pH 7 . pH 34013 1 pressure 1 . atm 34013 1 temperature 298 . K 34013 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34013 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34013 2 pH 7 . pH 34013 2 pressure 1 . atm 34013 2 temperature 298 . K 34013 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34013 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 34013 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34013 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34013 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34013 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34013 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34013 _Software.ID 3 _Software.Name CARA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34013 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34013 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34013 _Software.ID 4 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34013 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34013 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34013 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34013 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34013 5 processing 34013 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34013 _Software.ID 6 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Serrano, Pedrini, Mohanty, Geralt, Herrmann and Wuthrich,' . . 34013 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34013 6 'structure calculation' 34013 6 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 34013 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34013 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34013 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 34013 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 34013 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 34013 1 3 NMR_spectrometer_3 Bruker Avance . 950 . . . 34013 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 34013 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 6 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34013 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34013 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34013 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34013 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 34013 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 34013 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 34013 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 34013 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 34013 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCO' . . . 34013 1 4 '3D HNCA' . . . 34013 1 5 '3D HN(CO)CA' . . . 34013 1 6 '3D HBHA(CBCACO)NH' . . . 34013 1 7 '3D HN(CA)CO' . . . 34013 1 8 '3D CBCA(CO)NH' . . . 34013 1 9 '3D HNCACB' . . . 34013 1 10 '3D HNCACB' . . . 34013 1 11 '3D 1H-13C NOESY' . . . 34013 1 15 '3D 1H-15N NOESY' . . . 34013 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 34013 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE HA H 1 4.057 0.020 . 1 . . . . 16 ILE HA . 34013 1 2 . 1 1 2 2 ILE HB H 1 1.675 0.020 . 1 . . . . 16 ILE HB . 34013 1 3 . 1 1 2 2 ILE HG12 H 1 1.306 0.020 . 2 . . . . 16 ILE HG12 . 34013 1 4 . 1 1 2 2 ILE HG13 H 1 1.040 0.020 . 2 . . . . 16 ILE HG13 . 34013 1 5 . 1 1 2 2 ILE HG21 H 1 0.748 0.020 . 1 . . . . 16 ILE HG2 . 34013 1 6 . 1 1 2 2 ILE HG22 H 1 0.748 0.020 . 1 . . . . 16 ILE HG2 . 34013 1 7 . 1 1 2 2 ILE HG23 H 1 0.748 0.020 . 1 . . . . 16 ILE HG2 . 34013 1 8 . 1 1 2 2 ILE HD11 H 1 0.730 0.020 . 1 . . . . 16 ILE HD1 . 34013 1 9 . 1 1 2 2 ILE HD12 H 1 0.730 0.020 . 1 . . . . 16 ILE HD1 . 34013 1 10 . 1 1 2 2 ILE HD13 H 1 0.730 0.020 . 1 . . . . 16 ILE HD1 . 34013 1 11 . 1 1 2 2 ILE C C 13 174.726 0.300 . 1 . . . . 16 ILE C . 34013 1 12 . 1 1 2 2 ILE CA C 13 59.836 0.300 . 1 . . . . 16 ILE CA . 34013 1 13 . 1 1 2 2 ILE CB C 13 37.905 0.300 . 1 . . . . 16 ILE CB . 34013 1 14 . 1 1 2 2 ILE CG1 C 13 25.858 0.300 . 1 . . . . 16 ILE CG1 . 34013 1 15 . 1 1 2 2 ILE CG2 C 13 16.071 0.300 . 1 . . . . 16 ILE CG2 . 34013 1 16 . 1 1 2 2 ILE CD1 C 13 11.706 0.300 . 1 . . . . 16 ILE CD1 . 34013 1 17 . 1 1 3 3 ASP H H 1 8.400 0.020 . 1 . . . . 17 ASP H . 34013 1 18 . 1 1 3 3 ASP HA H 1 4.774 0.020 . 1 . . . . 17 ASP HA . 34013 1 19 . 1 1 3 3 ASP HB2 H 1 2.669 0.020 . 2 . . . . 17 ASP HB2 . 34013 1 20 . 1 1 3 3 ASP HB3 H 1 2.471 0.020 . 2 . . . . 17 ASP HB3 . 34013 1 21 . 1 1 3 3 ASP C C 13 173.934 0.300 . 1 . . . . 17 ASP C . 34013 1 22 . 1 1 3 3 ASP CA C 13 50.978 0.300 . 1 . . . . 17 ASP CA . 34013 1 23 . 1 1 3 3 ASP CB C 13 40.278 0.300 . 1 . . . . 17 ASP CB . 34013 1 24 . 1 1 3 3 ASP N N 15 126.240 0.300 . 1 . . . . 17 ASP N . 34013 1 25 . 1 1 4 4 PRO HA H 1 4.196 0.020 . 1 . . . . 18 PRO HA . 34013 1 26 . 1 1 4 4 PRO HB2 H 1 1.508 0.020 . 2 . . . . 18 PRO HB2 . 34013 1 27 . 1 1 4 4 PRO HB3 H 1 2.018 0.020 . 2 . . . . 18 PRO HB3 . 34013 1 28 . 1 1 4 4 PRO HG2 H 1 1.804 0.020 . 2 . . . . 18 PRO HG2 . 34013 1 29 . 1 1 4 4 PRO HG3 H 1 1.634 0.020 . 2 . . . . 18 PRO HG3 . 34013 1 30 . 1 1 4 4 PRO HD2 H 1 3.774 0.020 . 2 . . . . 18 PRO HD2 . 34013 1 31 . 1 1 4 4 PRO HD3 H 1 3.666 0.020 . 2 . . . . 18 PRO HD3 . 34013 1 32 . 1 1 4 4 PRO C C 13 176.142 0.300 . 1 . . . . 18 PRO C . 34013 1 33 . 1 1 4 4 PRO CA C 13 62.616 0.300 . 1 . . . . 18 PRO CA . 34013 1 34 . 1 1 4 4 PRO CB C 13 30.783 0.300 . 1 . . . . 18 PRO CB . 34013 1 35 . 1 1 4 4 PRO CG C 13 25.475 0.300 . 1 . . . . 18 PRO CG . 34013 1 36 . 1 1 4 4 PRO CD C 13 49.848 0.300 . 1 . . . . 18 PRO CD . 34013 1 37 . 1 1 5 5 PHE H H 1 8.208 0.020 . 1 . . . . 19 PHE H . 34013 1 38 . 1 1 5 5 PHE HA H 1 4.483 0.020 . 1 . . . . 19 PHE HA . 34013 1 39 . 1 1 5 5 PHE HB2 H 1 3.084 0.020 . 2 . . . . 19 PHE HB2 . 34013 1 40 . 1 1 5 5 PHE HB3 H 1 3.022 0.020 . 2 . . . . 19 PHE HB3 . 34013 1 41 . 1 1 5 5 PHE HD1 H 1 7.160 0.020 . 1 . . . . 19 PHE HD1 . 34013 1 42 . 1 1 5 5 PHE HD2 H 1 7.160 0.020 . 1 . . . . 19 PHE HD2 . 34013 1 43 . 1 1 5 5 PHE C C 13 175.435 0.300 . 1 . . . . 19 PHE C . 34013 1 44 . 1 1 5 5 PHE CA C 13 57.284 0.300 . 1 . . . . 19 PHE CA . 34013 1 45 . 1 1 5 5 PHE CB C 13 37.760 0.300 . 1 . . . . 19 PHE CB . 34013 1 46 . 1 1 5 5 PHE N N 15 118.391 0.300 . 1 . . . . 19 PHE N . 34013 1 47 . 1 1 6 6 THR H H 1 7.750 0.020 . 1 . . . . 20 THR H . 34013 1 48 . 1 1 6 6 THR HA H 1 4.193 0.020 . 1 . . . . 20 THR HA . 34013 1 49 . 1 1 6 6 THR HB H 1 4.113 0.020 . 1 . . . . 20 THR HB . 34013 1 50 . 1 1 6 6 THR HG21 H 1 1.098 0.020 . 1 . . . . 20 THR HG2 . 34013 1 51 . 1 1 6 6 THR HG22 H 1 1.098 0.020 . 1 . . . . 20 THR HG2 . 34013 1 52 . 1 1 6 6 THR HG23 H 1 1.098 0.020 . 1 . . . . 20 THR HG2 . 34013 1 53 . 1 1 6 6 THR C C 13 173.551 0.300 . 1 . . . . 20 THR C . 34013 1 54 . 1 1 6 6 THR CA C 13 61.056 0.300 . 1 . . . . 20 THR CA . 34013 1 55 . 1 1 6 6 THR CB C 13 68.842 0.300 . 1 . . . . 20 THR CB . 34013 1 56 . 1 1 6 6 THR CG2 C 13 20.490 0.300 . 1 . . . . 20 THR CG2 . 34013 1 57 . 1 1 6 6 THR N N 15 114.115 0.300 . 1 . . . . 20 THR N . 34013 1 58 . 1 1 7 7 GLN H H 1 8.164 0.020 . 1 . . . . 21 GLN H . 34013 1 59 . 1 1 7 7 GLN HA H 1 4.208 0.020 . 1 . . . . 21 GLN HA . 34013 1 60 . 1 1 7 7 GLN HB2 H 1 1.934 0.020 . 1 . . . . 21 GLN HB2 . 34013 1 61 . 1 1 7 7 GLN HB3 H 1 1.934 0.020 . 1 . . . . 21 GLN HB3 . 34013 1 62 . 1 1 7 7 GLN HG2 H 1 2.258 0.020 . 2 . . . . 21 GLN HG2 . 34013 1 63 . 1 1 7 7 GLN HG3 H 1 2.084 0.020 . 2 . . . . 21 GLN HG3 . 34013 1 64 . 1 1 7 7 GLN HE21 H 1 7.225 0.020 . 1 . . . . 21 GLN HE21 . 34013 1 65 . 1 1 7 7 GLN HE22 H 1 6.906 0.020 . 1 . . . . 21 GLN HE22 . 34013 1 66 . 1 1 7 7 GLN C C 13 175.444 0.300 . 1 . . . . 21 GLN C . 34013 1 67 . 1 1 7 7 GLN CA C 13 55.171 0.300 . 1 . . . . 21 GLN CA . 34013 1 68 . 1 1 7 7 GLN CB C 13 28.307 0.300 . 1 . . . . 21 GLN CB . 34013 1 69 . 1 1 7 7 GLN CG C 13 32.329 0.300 . 1 . . . . 21 GLN CG . 34013 1 70 . 1 1 7 7 GLN N N 15 122.223 0.300 . 1 . . . . 21 GLN N . 34013 1 71 . 1 1 7 7 GLN NE2 N 15 110.517 0.300 . 1 . . . . 21 GLN NE2 . 34013 1 72 . 1 1 8 8 GLY H H 1 8.323 0.020 . 1 . . . . 22 GLY H . 34013 1 73 . 1 1 8 8 GLY HA2 H 1 3.872 0.020 . 2 . . . . 22 GLY HA2 . 34013 1 74 . 1 1 8 8 GLY HA3 H 1 3.835 0.020 . 2 . . . . 22 GLY HA3 . 34013 1 75 . 1 1 8 8 GLY C C 13 173.200 0.300 . 1 . . . . 22 GLY C . 34013 1 76 . 1 1 8 8 GLY CA C 13 44.198 0.300 . 1 . . . . 22 GLY CA . 34013 1 77 . 1 1 8 8 GLY N N 15 109.739 0.300 . 1 . . . . 22 GLY N . 34013 1 78 . 1 1 9 9 SER H H 1 8.163 0.020 . 1 . . . . 23 SER H . 34013 1 79 . 1 1 9 9 SER HA H 1 4.361 0.020 . 1 . . . . 23 SER HA . 34013 1 80 . 1 1 9 9 SER HB2 H 1 3.764 0.020 . 2 . . . . 23 SER HB2 . 34013 1 81 . 1 1 9 9 SER HB3 H 1 3.674 0.020 . 2 . . . . 23 SER HB3 . 34013 1 82 . 1 1 9 9 SER C C 13 173.602 0.300 . 1 . . . . 23 SER C . 34013 1 83 . 1 1 9 9 SER CA C 13 57.280 0.300 . 1 . . . . 23 SER CA . 34013 1 84 . 1 1 9 9 SER CB C 13 62.845 0.300 . 1 . . . . 23 SER CB . 34013 1 85 . 1 1 9 9 SER N N 15 115.460 0.300 . 1 . . . . 23 SER N . 34013 1 86 . 1 1 10 10 ALA H H 1 8.361 0.020 . 1 . . . . 24 ALA H . 34013 1 87 . 1 1 10 10 ALA HA H 1 4.229 0.020 . 1 . . . . 24 ALA HA . 34013 1 88 . 1 1 10 10 ALA HB1 H 1 1.283 0.020 . 1 . . . . 24 ALA HB . 34013 1 89 . 1 1 10 10 ALA HB2 H 1 1.283 0.020 . 1 . . . . 24 ALA HB . 34013 1 90 . 1 1 10 10 ALA HB3 H 1 1.283 0.020 . 1 . . . . 24 ALA HB . 34013 1 91 . 1 1 10 10 ALA C C 13 177.285 0.300 . 1 . . . . 24 ALA C . 34013 1 92 . 1 1 10 10 ALA CA C 13 51.814 0.300 . 1 . . . . 24 ALA CA . 34013 1 93 . 1 1 10 10 ALA CB C 13 17.928 0.300 . 1 . . . . 24 ALA CB . 34013 1 94 . 1 1 10 10 ALA N N 15 125.644 0.300 . 1 . . . . 24 ALA N . 34013 1 95 . 1 1 11 11 GLY H H 1 8.273 0.020 . 1 . . . . 25 GLY H . 34013 1 96 . 1 1 11 11 GLY HA2 H 1 3.868 0.020 . 1 . . . . 25 GLY HA2 . 34013 1 97 . 1 1 11 11 GLY HA3 H 1 3.868 0.020 . 1 . . . . 25 GLY HA3 . 34013 1 98 . 1 1 11 11 GLY C C 13 173.430 0.300 . 1 . . . . 25 GLY C . 34013 1 99 . 1 1 11 11 GLY CA C 13 44.217 0.300 . 1 . . . . 25 GLY CA . 34013 1 100 . 1 1 11 11 GLY N N 15 107.826 0.300 . 1 . . . . 25 GLY N . 34013 1 101 . 1 1 12 12 SER H H 1 8.211 0.020 . 1 . . . . 26 SER H . 34013 1 102 . 1 1 12 12 SER HA H 1 4.349 0.020 . 1 . . . . 26 SER HA . 34013 1 103 . 1 1 12 12 SER HB2 H 1 3.841 0.020 . 2 . . . . 26 SER HB2 . 34013 1 104 . 1 1 12 12 SER HB3 H 1 3.800 0.020 . 2 . . . . 26 SER HB3 . 34013 1 105 . 1 1 12 12 SER C C 13 174.147 0.300 . 1 . . . . 26 SER C . 34013 1 106 . 1 1 12 12 SER CA C 13 57.633 0.300 . 1 . . . . 26 SER CA . 34013 1 107 . 1 1 12 12 SER CB C 13 62.845 0.300 . 1 . . . . 26 SER CB . 34013 1 108 . 1 1 12 12 SER N N 15 115.460 0.300 . 1 . . . . 26 SER N . 34013 1 109 . 1 1 13 13 GLY H H 1 8.414 0.020 . 1 . . . . 27 GLY H . 34013 1 110 . 1 1 13 13 GLY HA2 H 1 3.884 0.020 . 2 . . . . 27 GLY HA2 . 34013 1 111 . 1 1 13 13 GLY HA3 H 1 3.832 0.020 . 2 . . . . 27 GLY HA3 . 34013 1 112 . 1 1 13 13 GLY C C 13 172.603 0.300 . 1 . . . . 27 GLY C . 34013 1 113 . 1 1 13 13 GLY CA C 13 44.194 0.300 . 1 . . . . 27 GLY CA . 34013 1 114 . 1 1 13 13 GLY N N 15 110.804 0.300 . 1 . . . . 27 GLY N . 34013 1 115 . 1 1 14 14 ALA H H 1 8.011 0.020 . 1 . . . . 28 ALA H . 34013 1 116 . 1 1 14 14 ALA HA H 1 4.269 0.020 . 1 . . . . 28 ALA HA . 34013 1 117 . 1 1 14 14 ALA HB1 H 1 1.223 0.020 . 1 . . . . 28 ALA HB . 34013 1 118 . 1 1 14 14 ALA HB2 H 1 1.223 0.020 . 1 . . . . 28 ALA HB . 34013 1 119 . 1 1 14 14 ALA HB3 H 1 1.223 0.020 . 1 . . . . 28 ALA HB . 34013 1 120 . 1 1 14 14 ALA C C 13 176.295 0.300 . 1 . . . . 28 ALA C . 34013 1 121 . 1 1 14 14 ALA CA C 13 51.227 0.300 . 1 . . . . 28 ALA CA . 34013 1 122 . 1 1 14 14 ALA CB C 13 18.371 0.300 . 1 . . . . 28 ALA CB . 34013 1 123 . 1 1 14 14 ALA N N 15 123.552 0.300 . 1 . . . . 28 ALA N . 34013 1 124 . 1 1 15 15 ILE H H 1 8.023 0.020 . 1 . . . . 29 ILE H . 34013 1 125 . 1 1 15 15 ILE HA H 1 4.078 0.020 . 1 . . . . 29 ILE HA . 34013 1 126 . 1 1 15 15 ILE HB H 1 1.685 0.020 . 1 . . . . 29 ILE HB . 34013 1 127 . 1 1 15 15 ILE HG12 H 1 1.120 0.020 . 2 . . . . 29 ILE HG12 . 34013 1 128 . 1 1 15 15 ILE HG13 H 1 1.417 0.020 . 2 . . . . 29 ILE HG13 . 34013 1 129 . 1 1 15 15 ILE HG21 H 1 0.863 0.020 . 1 . . . . 29 ILE HG2 . 34013 1 130 . 1 1 15 15 ILE HG22 H 1 0.863 0.020 . 1 . . . . 29 ILE HG2 . 34013 1 131 . 1 1 15 15 ILE HG23 H 1 0.863 0.020 . 1 . . . . 29 ILE HG2 . 34013 1 132 . 1 1 15 15 ILE HD11 H 1 0.725 0.020 . 1 . . . . 29 ILE HD1 . 34013 1 133 . 1 1 15 15 ILE HD12 H 1 0.725 0.020 . 1 . . . . 29 ILE HD1 . 34013 1 134 . 1 1 15 15 ILE HD13 H 1 0.725 0.020 . 1 . . . . 29 ILE HD1 . 34013 1 135 . 1 1 15 15 ILE C C 13 175.432 0.300 . 1 . . . . 29 ILE C . 34013 1 136 . 1 1 15 15 ILE CA C 13 60.032 0.300 . 1 . . . . 29 ILE CA . 34013 1 137 . 1 1 15 15 ILE CB C 13 38.049 0.300 . 1 . . . . 29 ILE CB . 34013 1 138 . 1 1 15 15 ILE CG1 C 13 25.514 0.300 . 1 . . . . 29 ILE CG1 . 34013 1 139 . 1 1 15 15 ILE CG2 C 13 16.077 0.300 . 1 . . . . 29 ILE CG2 . 34013 1 140 . 1 1 15 15 ILE CD1 C 13 11.702 0.300 . 1 . . . . 29 ILE CD1 . 34013 1 141 . 1 1 15 15 ILE N N 15 120.372 0.300 . 1 . . . . 29 ILE N . 34013 1 142 . 1 1 16 16 GLY H H 1 8.237 0.020 . 1 . . . . 30 GLY H . 34013 1 143 . 1 1 16 16 GLY HA2 H 1 3.845 0.020 . 1 . . . . 30 GLY HA2 . 34013 1 144 . 1 1 16 16 GLY HA3 H 1 3.845 0.020 . 1 . . . . 30 GLY HA3 . 34013 1 145 . 1 1 16 16 GLY C C 13 170.367 0.300 . 1 . . . . 30 GLY C . 34013 1 146 . 1 1 16 16 GLY CA C 13 44.199 0.300 . 1 . . . . 30 GLY CA . 34013 1 147 . 1 1 16 16 GLY N N 15 114.980 0.300 . 1 . . . . 30 GLY N . 34013 1 148 . 1 1 17 17 PRO HA H 1 4.241 0.020 . 1 . . . . 31 PRO HA . 34013 1 149 . 1 1 17 17 PRO HB2 H 1 2.194 0.020 . 2 . . . . 31 PRO HB2 . 34013 1 150 . 1 1 17 17 PRO HB3 H 1 1.829 0.020 . 2 . . . . 31 PRO HB3 . 34013 1 151 . 1 1 17 17 PRO HG2 H 1 1.906 0.020 . 2 . . . . 31 PRO HG2 . 34013 1 152 . 1 1 17 17 PRO HG3 H 1 1.830 0.020 . 2 . . . . 31 PRO HG3 . 34013 1 153 . 1 1 17 17 PRO HD2 H 1 3.686 0.020 . 2 . . . . 31 PRO HD2 . 34013 1 154 . 1 1 17 17 PRO HD3 H 1 3.561 0.020 . 2 . . . . 31 PRO HD3 . 34013 1 155 . 1 1 17 17 PRO C C 13 179.833 0.300 . 1 . . . . 31 PRO C . 34013 1 156 . 1 1 17 17 PRO CA C 13 63.567 0.300 . 1 . . . . 31 PRO CA . 34013 1 157 . 1 1 17 17 PRO CB C 13 30.720 0.300 . 1 . . . . 31 PRO CB . 34013 1 158 . 1 1 17 17 PRO CG C 13 26.081 0.300 . 1 . . . . 31 PRO CG . 34013 1 159 . 1 1 17 17 PRO CD C 13 48.535 0.300 . 1 . . . . 31 PRO CD . 34013 1 160 . 1 1 18 18 VAL H H 1 10.135 0.020 . 1 . . . . 32 VAL H . 34013 1 161 . 1 1 18 18 VAL HA H 1 3.576 0.020 . 1 . . . . 32 VAL HA . 34013 1 162 . 1 1 18 18 VAL HB H 1 1.868 0.020 . 1 . . . . 32 VAL HB . 34013 1 163 . 1 1 18 18 VAL HG11 H 1 0.925 0.020 . 1 . . . . 32 VAL HG1 . 34013 1 164 . 1 1 18 18 VAL HG12 H 1 0.925 0.020 . 1 . . . . 32 VAL HG1 . 34013 1 165 . 1 1 18 18 VAL HG13 H 1 0.925 0.020 . 1 . . . . 32 VAL HG1 . 34013 1 166 . 1 1 18 18 VAL HG21 H 1 0.654 0.020 . 1 . . . . 32 VAL HG2 . 34013 1 167 . 1 1 18 18 VAL HG22 H 1 0.654 0.020 . 1 . . . . 32 VAL HG2 . 34013 1 168 . 1 1 18 18 VAL HG23 H 1 0.654 0.020 . 1 . . . . 32 VAL HG2 . 34013 1 169 . 1 1 18 18 VAL C C 13 176.373 0.300 . 1 . . . . 32 VAL C . 34013 1 170 . 1 1 18 18 VAL CA C 13 65.416 0.300 . 1 . . . . 32 VAL CA . 34013 1 171 . 1 1 18 18 VAL CB C 13 29.707 0.300 . 1 . . . . 32 VAL CB . 34013 1 172 . 1 1 18 18 VAL CG1 C 13 21.716 0.300 . 1 . . . . 32 VAL CG1 . 34013 1 173 . 1 1 18 18 VAL CG2 C 13 19.840 0.300 . 1 . . . . 32 VAL CG2 . 34013 1 174 . 1 1 18 18 VAL N N 15 126.023 0.300 . 1 . . . . 32 VAL N . 34013 1 175 . 1 1 19 19 GLU H H 1 9.082 0.020 . 1 . . . . 33 GLU H . 34013 1 176 . 1 1 19 19 GLU HA H 1 3.011 0.020 . 1 . . . . 33 GLU HA . 34013 1 177 . 1 1 19 19 GLU HB2 H 1 2.211 0.020 . 2 . . . . 33 GLU HB2 . 34013 1 178 . 1 1 19 19 GLU HB3 H 1 2.009 0.020 . 2 . . . . 33 GLU HB3 . 34013 1 179 . 1 1 19 19 GLU HG2 H 1 2.277 0.020 . 2 . . . . 33 GLU HG2 . 34013 1 180 . 1 1 19 19 GLU HG3 H 1 2.036 0.020 . 2 . . . . 33 GLU HG3 . 34013 1 181 . 1 1 19 19 GLU C C 13 177.086 0.300 . 1 . . . . 33 GLU C . 34013 1 182 . 1 1 19 19 GLU CA C 13 59.002 0.300 . 1 . . . . 33 GLU CA . 34013 1 183 . 1 1 19 19 GLU CB C 13 28.143 0.300 . 1 . . . . 33 GLU CB . 34013 1 184 . 1 1 19 19 GLU CG C 13 35.485 0.300 . 1 . . . . 33 GLU CG . 34013 1 185 . 1 1 19 19 GLU N N 15 123.469 0.300 . 1 . . . . 33 GLU N . 34013 1 186 . 1 1 20 20 ALA H H 1 8.234 0.020 . 1 . . . . 34 ALA H . 34013 1 187 . 1 1 20 20 ALA HA H 1 3.804 0.020 . 1 . . . . 34 ALA HA . 34013 1 188 . 1 1 20 20 ALA HB1 H 1 1.249 0.020 . 1 . . . . 34 ALA HB . 34013 1 189 . 1 1 20 20 ALA HB2 H 1 1.249 0.020 . 1 . . . . 34 ALA HB . 34013 1 190 . 1 1 20 20 ALA HB3 H 1 1.249 0.020 . 1 . . . . 34 ALA HB . 34013 1 191 . 1 1 20 20 ALA C C 13 179.077 0.300 . 1 . . . . 34 ALA C . 34013 1 192 . 1 1 20 20 ALA CA C 13 54.093 0.300 . 1 . . . . 34 ALA CA . 34013 1 193 . 1 1 20 20 ALA CB C 13 17.029 0.300 . 1 . . . . 34 ALA CB . 34013 1 194 . 1 1 20 20 ALA N N 15 118.414 0.300 . 1 . . . . 34 ALA N . 34013 1 195 . 1 1 21 21 ALA H H 1 7.473 0.020 . 1 . . . . 35 ALA H . 34013 1 196 . 1 1 21 21 ALA HA H 1 3.980 0.020 . 1 . . . . 35 ALA HA . 34013 1 197 . 1 1 21 21 ALA HB1 H 1 1.340 0.020 . 1 . . . . 35 ALA HB . 34013 1 198 . 1 1 21 21 ALA HB2 H 1 1.340 0.020 . 1 . . . . 35 ALA HB . 34013 1 199 . 1 1 21 21 ALA HB3 H 1 1.340 0.020 . 1 . . . . 35 ALA HB . 34013 1 200 . 1 1 21 21 ALA C C 13 178.502 0.300 . 1 . . . . 35 ALA C . 34013 1 201 . 1 1 21 21 ALA CA C 13 54.091 0.300 . 1 . . . . 35 ALA CA . 34013 1 202 . 1 1 21 21 ALA CB C 13 17.117 0.300 . 1 . . . . 35 ALA CB . 34013 1 203 . 1 1 21 21 ALA N N 15 121.991 0.300 . 1 . . . . 35 ALA N . 34013 1 204 . 1 1 22 22 ILE H H 1 8.331 0.020 . 1 . . . . 36 ILE H . 34013 1 205 . 1 1 22 22 ILE HA H 1 3.192 0.020 . 1 . . . . 36 ILE HA . 34013 1 206 . 1 1 22 22 ILE HB H 1 1.418 0.020 . 1 . . . . 36 ILE HB . 34013 1 207 . 1 1 22 22 ILE HG12 H 1 1.533 0.020 . 2 . . . . 36 ILE HG12 . 34013 1 208 . 1 1 22 22 ILE HG13 H 1 0.429 0.020 . 2 . . . . 36 ILE HG13 . 34013 1 209 . 1 1 22 22 ILE HG21 H 1 0.428 0.020 . 1 . . . . 36 ILE HG2 . 34013 1 210 . 1 1 22 22 ILE HG22 H 1 0.428 0.020 . 1 . . . . 36 ILE HG2 . 34013 1 211 . 1 1 22 22 ILE HG23 H 1 0.428 0.020 . 1 . . . . 36 ILE HG2 . 34013 1 212 . 1 1 22 22 ILE HD11 H 1 -0.335 0.020 . 1 . . . . 36 ILE HD1 . 34013 1 213 . 1 1 22 22 ILE HD12 H 1 -0.335 0.020 . 1 . . . . 36 ILE HD1 . 34013 1 214 . 1 1 22 22 ILE HD13 H 1 -0.335 0.020 . 1 . . . . 36 ILE HD1 . 34013 1 215 . 1 1 22 22 ILE C C 13 176.731 0.300 . 1 . . . . 36 ILE C . 34013 1 216 . 1 1 22 22 ILE CA C 13 64.220 0.300 . 1 . . . . 36 ILE CA . 34013 1 217 . 1 1 22 22 ILE CB C 13 36.271 0.300 . 1 . . . . 36 ILE CB . 34013 1 218 . 1 1 22 22 ILE CG1 C 13 26.732 0.300 . 1 . . . . 36 ILE CG1 . 34013 1 219 . 1 1 22 22 ILE CG2 C 13 16.099 0.300 . 1 . . . . 36 ILE CG2 . 34013 1 220 . 1 1 22 22 ILE CD1 C 13 11.718 0.300 . 1 . . . . 36 ILE CD1 . 34013 1 221 . 1 1 22 22 ILE N N 15 117.133 0.300 . 1 . . . . 36 ILE N . 34013 1 222 . 1 1 23 23 ARG H H 1 8.001 0.020 . 1 . . . . 37 ARG H . 34013 1 223 . 1 1 23 23 ARG HA H 1 3.472 0.020 . 1 . . . . 37 ARG HA . 34013 1 224 . 1 1 23 23 ARG HB2 H 1 1.679 0.020 . 1 . . . . 37 ARG HB2 . 34013 1 225 . 1 1 23 23 ARG HB3 H 1 1.679 0.020 . 1 . . . . 37 ARG HB3 . 34013 1 226 . 1 1 23 23 ARG HG2 H 1 1.416 0.020 . 2 . . . . 37 ARG HG2 . 34013 1 227 . 1 1 23 23 ARG HG3 H 1 1.308 0.020 . 2 . . . . 37 ARG HG3 . 34013 1 228 . 1 1 23 23 ARG HD2 H 1 3.187 0.020 . 2 . . . . 37 ARG HD2 . 34013 1 229 . 1 1 23 23 ARG HD3 H 1 2.998 0.020 . 2 . . . . 37 ARG HD3 . 34013 1 230 . 1 1 23 23 ARG C C 13 176.737 0.300 . 1 . . . . 37 ARG C . 34013 1 231 . 1 1 23 23 ARG CA C 13 59.835 0.300 . 1 . . . . 37 ARG CA . 34013 1 232 . 1 1 23 23 ARG CB C 13 28.373 0.300 . 1 . . . . 37 ARG CB . 34013 1 233 . 1 1 23 23 ARG CG C 13 26.138 0.300 . 1 . . . . 37 ARG CG . 34013 1 234 . 1 1 23 23 ARG CD C 13 41.703 0.300 . 1 . . . . 37 ARG CD . 34013 1 235 . 1 1 23 23 ARG N N 15 117.741 0.300 . 1 . . . . 37 ARG N . 34013 1 236 . 1 1 24 24 THR H H 1 7.939 0.020 . 1 . . . . 38 THR H . 34013 1 237 . 1 1 24 24 THR HA H 1 3.746 0.020 . 1 . . . . 38 THR HA . 34013 1 238 . 1 1 24 24 THR HB H 1 4.009 0.020 . 1 . . . . 38 THR HB . 34013 1 239 . 1 1 24 24 THR HG21 H 1 1.107 0.020 . 1 . . . . 38 THR HG2 . 34013 1 240 . 1 1 24 24 THR HG22 H 1 1.107 0.020 . 1 . . . . 38 THR HG2 . 34013 1 241 . 1 1 24 24 THR HG23 H 1 1.107 0.020 . 1 . . . . 38 THR HG2 . 34013 1 242 . 1 1 24 24 THR C C 13 175.906 0.300 . 1 . . . . 38 THR C . 34013 1 243 . 1 1 24 24 THR CA C 13 65.596 0.300 . 1 . . . . 38 THR CA . 34013 1 244 . 1 1 24 24 THR CB C 13 68.035 0.300 . 1 . . . . 38 THR CB . 34013 1 245 . 1 1 24 24 THR CG2 C 13 20.464 0.300 . 1 . . . . 38 THR CG2 . 34013 1 246 . 1 1 24 24 THR N N 15 114.140 0.300 . 1 . . . . 38 THR N . 34013 1 247 . 1 1 25 25 LYS H H 1 8.371 0.020 . 1 . . . . 39 LYS H . 34013 1 248 . 1 1 25 25 LYS HA H 1 3.917 0.020 . 1 . . . . 39 LYS HA . 34013 1 249 . 1 1 25 25 LYS HB2 H 1 1.531 0.020 . 1 . . . . 39 LYS HB2 . 34013 1 250 . 1 1 25 25 LYS HB3 H 1 1.531 0.020 . 1 . . . . 39 LYS HB3 . 34013 1 251 . 1 1 25 25 LYS HG2 H 1 1.284 0.020 . 2 . . . . 39 LYS HG2 . 34013 1 252 . 1 1 25 25 LYS HG3 H 1 1.273 0.020 . 2 . . . . 39 LYS HG3 . 34013 1 253 . 1 1 25 25 LYS HD2 H 1 1.459 0.020 . 1 . . . . 39 LYS HD2 . 34013 1 254 . 1 1 25 25 LYS HD3 H 1 1.459 0.020 . 1 . . . . 39 LYS HD3 . 34013 1 255 . 1 1 25 25 LYS HE2 H 1 2.910 0.020 . 2 . . . . 39 LYS HE2 . 34013 1 256 . 1 1 25 25 LYS HE3 H 1 2.748 0.020 . 2 . . . . 39 LYS HE3 . 34013 1 257 . 1 1 25 25 LYS C C 13 180.050 0.300 . 1 . . . . 39 LYS C . 34013 1 258 . 1 1 25 25 LYS CA C 13 58.868 0.300 . 1 . . . . 39 LYS CA . 34013 1 259 . 1 1 25 25 LYS CB C 13 32.020 0.300 . 1 . . . . 39 LYS CB . 34013 1 260 . 1 1 25 25 LYS CG C 13 26.096 0.300 . 1 . . . . 39 LYS CG . 34013 1 261 . 1 1 25 25 LYS CD C 13 27.972 0.300 . 1 . . . . 39 LYS CD . 34013 1 262 . 1 1 25 25 LYS CE C 13 41.093 0.300 . 1 . . . . 39 LYS CE . 34013 1 263 . 1 1 25 25 LYS N N 15 120.099 0.300 . 1 . . . . 39 LYS N . 34013 1 264 . 1 1 26 26 LEU H H 1 8.385 0.020 . 1 . . . . 40 LEU H . 34013 1 265 . 1 1 26 26 LEU HA H 1 3.958 0.020 . 1 . . . . 40 LEU HA . 34013 1 266 . 1 1 26 26 LEU HB2 H 1 1.933 0.020 . 2 . . . . 40 LEU HB2 . 34013 1 267 . 1 1 26 26 LEU HB3 H 1 0.950 0.020 . 2 . . . . 40 LEU HB3 . 34013 1 268 . 1 1 26 26 LEU HG H 1 2.003 0.020 . 1 . . . . 40 LEU HG . 34013 1 269 . 1 1 26 26 LEU HD11 H 1 0.671 0.020 . 1 . . . . 40 LEU HD1 . 34013 1 270 . 1 1 26 26 LEU HD12 H 1 0.671 0.020 . 1 . . . . 40 LEU HD1 . 34013 1 271 . 1 1 26 26 LEU HD13 H 1 0.671 0.020 . 1 . . . . 40 LEU HD1 . 34013 1 272 . 1 1 26 26 LEU HD21 H 1 0.602 0.020 . 1 . . . . 40 LEU HD2 . 34013 1 273 . 1 1 26 26 LEU HD22 H 1 0.602 0.020 . 1 . . . . 40 LEU HD2 . 34013 1 274 . 1 1 26 26 LEU HD23 H 1 0.602 0.020 . 1 . . . . 40 LEU HD2 . 34013 1 275 . 1 1 26 26 LEU C C 13 178.264 0.300 . 1 . . . . 40 LEU C . 34013 1 276 . 1 1 26 26 LEU CA C 13 56.674 0.300 . 1 . . . . 40 LEU CA . 34013 1 277 . 1 1 26 26 LEU CB C 13 40.290 0.300 . 1 . . . . 40 LEU CB . 34013 1 278 . 1 1 26 26 LEU CG C 13 25.390 0.300 . 1 . . . . 40 LEU CG . 34013 1 279 . 1 1 26 26 LEU CD1 C 13 21.055 0.300 . 1 . . . . 40 LEU CD1 . 34013 1 280 . 1 1 26 26 LEU CD2 C 13 26.007 0.300 . 1 . . . . 40 LEU CD2 . 34013 1 281 . 1 1 26 26 LEU N N 15 117.945 0.300 . 1 . . . . 40 LEU N . 34013 1 282 . 1 1 27 27 GLU H H 1 8.393 0.020 . 1 . . . . 41 GLU H . 34013 1 283 . 1 1 27 27 GLU HA H 1 3.610 0.020 . 1 . . . . 41 GLU HA . 34013 1 284 . 1 1 27 27 GLU HB2 H 1 2.083 0.020 . 2 . . . . 41 GLU HB2 . 34013 1 285 . 1 1 27 27 GLU HB3 H 1 1.872 0.020 . 2 . . . . 41 GLU HB3 . 34013 1 286 . 1 1 27 27 GLU HG2 H 1 2.267 0.020 . 2 . . . . 41 GLU HG2 . 34013 1 287 . 1 1 27 27 GLU HG3 H 1 2.024 0.020 . 2 . . . . 41 GLU HG3 . 34013 1 288 . 1 1 27 27 GLU C C 13 178.614 0.300 . 1 . . . . 41 GLU C . 34013 1 289 . 1 1 27 27 GLU CA C 13 58.750 0.300 . 1 . . . . 41 GLU CA . 34013 1 290 . 1 1 27 27 GLU CB C 13 27.968 0.300 . 1 . . . . 41 GLU CB . 34013 1 291 . 1 1 27 27 GLU CG C 13 35.464 0.300 . 1 . . . . 41 GLU CG . 34013 1 292 . 1 1 27 27 GLU N N 15 120.995 0.300 . 1 . . . . 41 GLU N . 34013 1 293 . 1 1 28 28 GLU H H 1 7.822 0.020 . 1 . . . . 42 GLU H . 34013 1 294 . 1 1 28 28 GLU HA H 1 3.883 0.020 . 1 . . . . 42 GLU HA . 34013 1 295 . 1 1 28 28 GLU HB2 H 1 1.956 0.020 . 2 . . . . 42 GLU HB2 . 34013 1 296 . 1 1 28 28 GLU HB3 H 1 1.892 0.020 . 2 . . . . 42 GLU HB3 . 34013 1 297 . 1 1 28 28 GLU HG2 H 1 2.304 0.020 . 2 . . . . 42 GLU HG2 . 34013 1 298 . 1 1 28 28 GLU HG3 H 1 2.148 0.020 . 2 . . . . 42 GLU HG3 . 34013 1 299 . 1 1 28 28 GLU C C 13 177.441 0.300 . 1 . . . . 42 GLU C . 34013 1 300 . 1 1 28 28 GLU CA C 13 57.904 0.300 . 1 . . . . 42 GLU CA . 34013 1 301 . 1 1 28 28 GLU CB C 13 28.608 0.300 . 1 . . . . 42 GLU CB . 34013 1 302 . 1 1 28 28 GLU CG C 13 34.867 0.300 . 1 . . . . 42 GLU CG . 34013 1 303 . 1 1 28 28 GLU N N 15 117.476 0.300 . 1 . . . . 42 GLU N . 34013 1 304 . 1 1 29 29 ALA H H 1 7.833 0.020 . 1 . . . . 43 ALA H . 34013 1 305 . 1 1 29 29 ALA HA H 1 4.149 0.020 . 1 . . . . 43 ALA HA . 34013 1 306 . 1 1 29 29 ALA HB1 H 1 1.313 0.020 . 1 . . . . 43 ALA HB . 34013 1 307 . 1 1 29 29 ALA HB2 H 1 1.313 0.020 . 1 . . . . 43 ALA HB . 34013 1 308 . 1 1 29 29 ALA HB3 H 1 1.313 0.020 . 1 . . . . 43 ALA HB . 34013 1 309 . 1 1 29 29 ALA C C 13 178.857 0.300 . 1 . . . . 43 ALA C . 34013 1 310 . 1 1 29 29 ALA CA C 13 53.390 0.300 . 1 . . . . 43 ALA CA . 34013 1 311 . 1 1 29 29 ALA CB C 13 18.731 0.300 . 1 . . . . 43 ALA CB . 34013 1 312 . 1 1 29 29 ALA N N 15 116.856 0.300 . 1 . . . . 43 ALA N . 34013 1 313 . 1 1 30 30 LEU H H 1 7.858 0.020 . 1 . . . . 44 LEU H . 34013 1 314 . 1 1 30 30 LEU HA H 1 4.306 0.020 . 1 . . . . 44 LEU HA . 34013 1 315 . 1 1 30 30 LEU HB2 H 1 1.586 0.020 . 2 . . . . 44 LEU HB2 . 34013 1 316 . 1 1 30 30 LEU HB3 H 1 0.965 0.020 . 2 . . . . 44 LEU HB3 . 34013 1 317 . 1 1 30 30 LEU HG H 1 1.410 0.020 . 1 . . . . 44 LEU HG . 34013 1 318 . 1 1 30 30 LEU HD11 H 1 0.743 0.020 . 1 . . . . 44 LEU HD1 . 34013 1 319 . 1 1 30 30 LEU HD12 H 1 0.743 0.020 . 1 . . . . 44 LEU HD1 . 34013 1 320 . 1 1 30 30 LEU HD13 H 1 0.743 0.020 . 1 . . . . 44 LEU HD1 . 34013 1 321 . 1 1 30 30 LEU HD21 H 1 0.487 0.020 . 1 . . . . 44 LEU HD2 . 34013 1 322 . 1 1 30 30 LEU HD22 H 1 0.487 0.020 . 1 . . . . 44 LEU HD2 . 34013 1 323 . 1 1 30 30 LEU HD23 H 1 0.487 0.020 . 1 . . . . 44 LEU HD2 . 34013 1 324 . 1 1 30 30 LEU C C 13 175.119 0.300 . 1 . . . . 44 LEU C . 34013 1 325 . 1 1 30 30 LEU CA C 13 52.723 0.300 . 1 . . . . 44 LEU CA . 34013 1 326 . 1 1 30 30 LEU CB C 13 42.702 0.300 . 1 . . . . 44 LEU CB . 34013 1 327 . 1 1 30 30 LEU CG C 13 26.658 0.300 . 1 . . . . 44 LEU CG . 34013 1 328 . 1 1 30 30 LEU CD1 C 13 26.661 0.300 . 1 . . . . 44 LEU CD1 . 34013 1 329 . 1 1 30 30 LEU CD2 C 13 21.703 0.300 . 1 . . . . 44 LEU CD2 . 34013 1 330 . 1 1 30 30 LEU N N 15 111.370 0.300 . 1 . . . . 44 LEU N . 34013 1 331 . 1 1 31 31 SER H H 1 7.707 0.020 . 1 . . . . 45 SER H . 34013 1 332 . 1 1 31 31 SER HA H 1 4.171 0.020 . 1 . . . . 45 SER HA . 34013 1 333 . 1 1 31 31 SER HB2 H 1 3.826 0.020 . 2 . . . . 45 SER HB2 . 34013 1 334 . 1 1 31 31 SER HB3 H 1 3.659 0.020 . 2 . . . . 45 SER HB3 . 34013 1 335 . 1 1 31 31 SER CA C 13 56.912 0.300 . 1 . . . . 45 SER CA . 34013 1 336 . 1 1 31 31 SER CB C 13 61.651 0.300 . 1 . . . . 45 SER CB . 34013 1 337 . 1 1 31 31 SER N N 15 114.206 0.300 . 1 . . . . 45 SER N . 34013 1 338 . 1 1 32 32 PRO HA H 1 4.169 0.020 . 1 . . . . 46 PRO HA . 34013 1 339 . 1 1 32 32 PRO HB2 H 1 2.240 0.020 . 2 . . . . 46 PRO HB2 . 34013 1 340 . 1 1 32 32 PRO HB3 H 1 1.811 0.020 . 2 . . . . 46 PRO HB3 . 34013 1 341 . 1 1 32 32 PRO HG2 H 1 1.913 0.020 . 1 . . . . 46 PRO HG2 . 34013 1 342 . 1 1 32 32 PRO HG3 H 1 1.913 0.020 . 1 . . . . 46 PRO HG3 . 34013 1 343 . 1 1 32 32 PRO HD2 H 1 3.776 0.020 . 2 . . . . 46 PRO HD2 . 34013 1 344 . 1 1 32 32 PRO HD3 H 1 3.661 0.020 . 2 . . . . 46 PRO HD3 . 34013 1 345 . 1 1 32 32 PRO C C 13 176.000 0.300 . 1 . . . . 46 PRO C . 34013 1 346 . 1 1 32 32 PRO CA C 13 61.821 0.300 . 1 . . . . 46 PRO CA . 34013 1 347 . 1 1 32 32 PRO CB C 13 32.042 0.300 . 1 . . . . 46 PRO CB . 34013 1 348 . 1 1 32 32 PRO CG C 13 25.965 0.300 . 1 . . . . 46 PRO CG . 34013 1 349 . 1 1 32 32 PRO CD C 13 49.829 0.300 . 1 . . . . 46 PRO CD . 34013 1 350 . 1 1 33 33 GLU H H 1 8.227 0.020 . 1 . . . . 47 GLU H . 34013 1 351 . 1 1 33 33 GLU HA H 1 4.033 0.020 . 1 . . . . 47 GLU HA . 34013 1 352 . 1 1 33 33 GLU HB2 H 1 1.769 0.020 . 2 . . . . 47 GLU HB2 . 34013 1 353 . 1 1 33 33 GLU HB3 H 1 1.524 0.020 . 2 . . . . 47 GLU HB3 . 34013 1 354 . 1 1 33 33 GLU HG2 H 1 2.159 0.020 . 2 . . . . 47 GLU HG2 . 34013 1 355 . 1 1 33 33 GLU HG3 H 1 2.140 0.020 . 2 . . . . 47 GLU HG3 . 34013 1 356 . 1 1 33 33 GLU C C 13 175.673 0.300 . 1 . . . . 47 GLU C . 34013 1 357 . 1 1 33 33 GLU CA C 13 57.093 0.300 . 1 . . . . 47 GLU CA . 34013 1 358 . 1 1 33 33 GLU CB C 13 29.578 0.300 . 1 . . . . 47 GLU CB . 34013 1 359 . 1 1 33 33 GLU CG C 13 35.472 0.300 . 1 . . . . 47 GLU CG . 34013 1 360 . 1 1 33 33 GLU N N 15 121.230 0.300 . 1 . . . . 47 GLU N . 34013 1 361 . 1 1 34 34 VAL H H 1 6.860 0.020 . 1 . . . . 48 VAL H . 34013 1 362 . 1 1 34 34 VAL HA H 1 3.842 0.020 . 1 . . . . 48 VAL HA . 34013 1 363 . 1 1 34 34 VAL HB H 1 0.914 0.020 . 1 . . . . 48 VAL HB . 34013 1 364 . 1 1 34 34 VAL HG11 H 1 0.464 0.020 . 1 . . . . 48 VAL HG1 . 34013 1 365 . 1 1 34 34 VAL HG12 H 1 0.464 0.020 . 1 . . . . 48 VAL HG1 . 34013 1 366 . 1 1 34 34 VAL HG13 H 1 0.464 0.020 . 1 . . . . 48 VAL HG1 . 34013 1 367 . 1 1 34 34 VAL HG21 H 1 0.182 0.020 . 1 . . . . 48 VAL HG2 . 34013 1 368 . 1 1 34 34 VAL HG22 H 1 0.182 0.020 . 1 . . . . 48 VAL HG2 . 34013 1 369 . 1 1 34 34 VAL HG23 H 1 0.182 0.020 . 1 . . . . 48 VAL HG2 . 34013 1 370 . 1 1 34 34 VAL C C 13 172.596 0.300 . 1 . . . . 48 VAL C . 34013 1 371 . 1 1 34 34 VAL CA C 13 60.453 0.300 . 1 . . . . 48 VAL CA . 34013 1 372 . 1 1 34 34 VAL CB C 13 34.761 0.300 . 1 . . . . 48 VAL CB . 34013 1 373 . 1 1 34 34 VAL CG1 C 13 19.246 0.300 . 1 . . . . 48 VAL CG1 . 34013 1 374 . 1 1 34 34 VAL CG2 C 13 18.700 0.300 . 1 . . . . 48 VAL CG2 . 34013 1 375 . 1 1 34 34 VAL N N 15 115.049 0.300 . 1 . . . . 48 VAL N . 34013 1 376 . 1 1 35 35 LEU H H 1 8.698 0.020 . 1 . . . . 49 LEU H . 34013 1 377 . 1 1 35 35 LEU HA H 1 4.790 0.020 . 1 . . . . 49 LEU HA . 34013 1 378 . 1 1 35 35 LEU HB2 H 1 1.719 0.020 . 2 . . . . 49 LEU HB2 . 34013 1 379 . 1 1 35 35 LEU HB3 H 1 0.995 0.020 . 2 . . . . 49 LEU HB3 . 34013 1 380 . 1 1 35 35 LEU HG H 1 1.418 0.020 . 1 . . . . 49 LEU HG . 34013 1 381 . 1 1 35 35 LEU HD11 H 1 0.783 0.020 . 1 . . . . 49 LEU HD1 . 34013 1 382 . 1 1 35 35 LEU HD12 H 1 0.783 0.020 . 1 . . . . 49 LEU HD1 . 34013 1 383 . 1 1 35 35 LEU HD13 H 1 0.783 0.020 . 1 . . . . 49 LEU HD1 . 34013 1 384 . 1 1 35 35 LEU HD21 H 1 0.687 0.020 . 1 . . . . 49 LEU HD2 . 34013 1 385 . 1 1 35 35 LEU HD22 H 1 0.687 0.020 . 1 . . . . 49 LEU HD2 . 34013 1 386 . 1 1 35 35 LEU HD23 H 1 0.687 0.020 . 1 . . . . 49 LEU HD2 . 34013 1 387 . 1 1 35 35 LEU C C 13 172.945 0.300 . 1 . . . . 49 LEU C . 34013 1 388 . 1 1 35 35 LEU CA C 13 53.512 0.300 . 1 . . . . 49 LEU CA . 34013 1 389 . 1 1 35 35 LEU CB C 13 42.548 0.300 . 1 . . . . 49 LEU CB . 34013 1 390 . 1 1 35 35 LEU CG C 13 25.189 0.300 . 1 . . . . 49 LEU CG . 34013 1 391 . 1 1 35 35 LEU CD1 C 13 26.051 0.300 . 1 . . . . 49 LEU CD1 . 34013 1 392 . 1 1 35 35 LEU CD2 C 13 23.931 0.300 . 1 . . . . 49 LEU CD2 . 34013 1 393 . 1 1 35 35 LEU N N 15 128.551 0.300 . 1 . . . . 49 LEU N . 34013 1 394 . 1 1 36 36 GLU H H 1 9.050 0.020 . 1 . . . . 50 GLU H . 34013 1 395 . 1 1 36 36 GLU HA H 1 4.619 0.020 . 1 . . . . 50 GLU HA . 34013 1 396 . 1 1 36 36 GLU HB2 H 1 1.872 0.020 . 2 . . . . 50 GLU HB2 . 34013 1 397 . 1 1 36 36 GLU HB3 H 1 1.808 0.020 . 2 . . . . 50 GLU HB3 . 34013 1 398 . 1 1 36 36 GLU HG2 H 1 2.098 0.020 . 2 . . . . 50 GLU HG2 . 34013 1 399 . 1 1 36 36 GLU HG3 H 1 1.995 0.020 . 2 . . . . 50 GLU HG3 . 34013 1 400 . 1 1 36 36 GLU C C 13 173.306 0.300 . 1 . . . . 50 GLU C . 34013 1 401 . 1 1 36 36 GLU CA C 13 53.702 0.300 . 1 . . . . 50 GLU CA . 34013 1 402 . 1 1 36 36 GLU CB C 13 30.797 0.300 . 1 . . . . 50 GLU CB . 34013 1 403 . 1 1 36 36 GLU CG C 13 34.213 0.300 . 1 . . . . 50 GLU CG . 34013 1 404 . 1 1 36 36 GLU N N 15 127.498 0.300 . 1 . . . . 50 GLU N . 34013 1 405 . 1 1 37 37 LEU H H 1 8.719 0.020 . 1 . . . . 51 LEU H . 34013 1 406 . 1 1 37 37 LEU HA H 1 5.190 0.020 . 1 . . . . 51 LEU HA . 34013 1 407 . 1 1 37 37 LEU HB2 H 1 1.464 0.020 . 2 . . . . 51 LEU HB2 . 34013 1 408 . 1 1 37 37 LEU HB3 H 1 1.344 0.020 . 2 . . . . 51 LEU HB3 . 34013 1 409 . 1 1 37 37 LEU HG H 1 1.414 0.020 . 1 . . . . 51 LEU HG . 34013 1 410 . 1 1 37 37 LEU HD11 H 1 0.664 0.020 . 1 . . . . 51 LEU HD1 . 34013 1 411 . 1 1 37 37 LEU HD12 H 1 0.664 0.020 . 1 . . . . 51 LEU HD1 . 34013 1 412 . 1 1 37 37 LEU HD13 H 1 0.664 0.020 . 1 . . . . 51 LEU HD1 . 34013 1 413 . 1 1 37 37 LEU HD21 H 1 0.672 0.020 . 1 . . . . 51 LEU HD2 . 34013 1 414 . 1 1 37 37 LEU HD22 H 1 0.672 0.020 . 1 . . . . 51 LEU HD2 . 34013 1 415 . 1 1 37 37 LEU HD23 H 1 0.672 0.020 . 1 . . . . 51 LEU HD2 . 34013 1 416 . 1 1 37 37 LEU C C 13 174.494 0.300 . 1 . . . . 51 LEU C . 34013 1 417 . 1 1 37 37 LEU CA C 13 52.591 0.300 . 1 . . . . 51 LEU CA . 34013 1 418 . 1 1 37 37 LEU CB C 13 44.625 0.300 . 1 . . . . 51 LEU CB . 34013 1 419 . 1 1 37 37 LEU CG C 13 25.811 0.300 . 1 . . . . 51 LEU CG . 34013 1 420 . 1 1 37 37 LEU CD1 C 13 26.181 0.300 . 1 . . . . 51 LEU CD1 . 34013 1 421 . 1 1 37 37 LEU CD2 C 13 24.223 0.300 . 1 . . . . 51 LEU CD2 . 34013 1 422 . 1 1 37 37 LEU N N 15 126.748 0.300 . 1 . . . . 51 LEU N . 34013 1 423 . 1 1 38 38 ARG H H 1 8.933 0.020 . 1 . . . . 52 ARG H . 34013 1 424 . 1 1 38 38 ARG HA H 1 4.699 0.020 . 1 . . . . 52 ARG HA . 34013 1 425 . 1 1 38 38 ARG HB2 H 1 1.683 0.020 . 2 . . . . 52 ARG HB2 . 34013 1 426 . 1 1 38 38 ARG HB3 H 1 1.654 0.020 . 2 . . . . 52 ARG HB3 . 34013 1 427 . 1 1 38 38 ARG HG2 H 1 1.525 0.020 . 1 . . . . 52 ARG HG2 . 34013 1 428 . 1 1 38 38 ARG HG3 H 1 1.525 0.020 . 1 . . . . 52 ARG HG3 . 34013 1 429 . 1 1 38 38 ARG HD2 H 1 3.162 0.020 . 2 . . . . 52 ARG HD2 . 34013 1 430 . 1 1 38 38 ARG HD3 H 1 3.080 0.020 . 2 . . . . 52 ARG HD3 . 34013 1 431 . 1 1 38 38 ARG C C 13 173.668 0.300 . 1 . . . . 52 ARG C . 34013 1 432 . 1 1 38 38 ARG CA C 13 53.505 0.300 . 1 . . . . 52 ARG CA . 34013 1 433 . 1 1 38 38 ARG CB C 13 32.712 0.300 . 1 . . . . 52 ARG CB . 34013 1 434 . 1 1 38 38 ARG CG C 13 25.699 0.300 . 1 . . . . 52 ARG CG . 34013 1 435 . 1 1 38 38 ARG CD C 13 42.283 0.300 . 1 . . . . 52 ARG CD . 34013 1 436 . 1 1 38 38 ARG N N 15 122.217 0.300 . 1 . . . . 52 ARG N . 34013 1 437 . 1 1 39 39 ASN H H 1 9.374 0.020 . 1 . . . . 53 ASN H . 34013 1 438 . 1 1 39 39 ASN HA H 1 4.118 0.020 . 1 . . . . 53 ASN HA . 34013 1 439 . 1 1 39 39 ASN HB2 H 1 3.173 0.020 . 2 . . . . 53 ASN HB2 . 34013 1 440 . 1 1 39 39 ASN HB3 H 1 2.555 0.020 . 2 . . . . 53 ASN HB3 . 34013 1 441 . 1 1 39 39 ASN HD21 H 1 7.444 0.020 . 1 . . . . 53 ASN HD21 . 34013 1 442 . 1 1 39 39 ASN HD22 H 1 8.173 0.020 . 1 . . . . 53 ASN HD22 . 34013 1 443 . 1 1 39 39 ASN C C 13 175.204 0.300 . 1 . . . . 53 ASN C . 34013 1 444 . 1 1 39 39 ASN CA C 13 51.909 0.300 . 1 . . . . 53 ASN CA . 34013 1 445 . 1 1 39 39 ASN CB C 13 36.522 0.300 . 1 . . . . 53 ASN CB . 34013 1 446 . 1 1 39 39 ASN N N 15 124.501 0.300 . 1 . . . . 53 ASN N . 34013 1 447 . 1 1 39 39 ASN ND2 N 15 111.903 0.300 . 1 . . . . 53 ASN ND2 . 34013 1 448 . 1 1 40 40 GLU H H 1 8.678 0.020 . 1 . . . . 54 GLU H . 34013 1 449 . 1 1 40 40 GLU HA H 1 4.522 0.020 . 1 . . . . 54 GLU HA . 34013 1 450 . 1 1 40 40 GLU HB2 H 1 2.133 0.020 . 1 . . . . 54 GLU HB2 . 34013 1 451 . 1 1 40 40 GLU HB3 H 1 2.133 0.020 . 1 . . . . 54 GLU HB3 . 34013 1 452 . 1 1 40 40 GLU HG2 H 1 2.032 0.020 . 2 . . . . 54 GLU HG2 . 34013 1 453 . 1 1 40 40 GLU HG3 H 1 1.883 0.020 . 2 . . . . 54 GLU HG3 . 34013 1 454 . 1 1 40 40 GLU C C 13 176.074 0.300 . 1 . . . . 54 GLU C . 34013 1 455 . 1 1 40 40 GLU CA C 13 54.254 0.300 . 1 . . . . 54 GLU CA . 34013 1 456 . 1 1 40 40 GLU CB C 13 28.582 0.300 . 1 . . . . 54 GLU CB . 34013 1 457 . 1 1 40 40 GLU CG C 13 35.478 0.300 . 1 . . . . 54 GLU CG . 34013 1 458 . 1 1 40 40 GLU N N 15 127.890 0.300 . 1 . . . . 54 GLU N . 34013 1 459 . 1 1 41 41 SER H H 1 8.502 0.020 . 1 . . . . 55 SER H . 34013 1 460 . 1 1 41 41 SER HA H 1 3.971 0.020 . 1 . . . . 55 SER HA . 34013 1 461 . 1 1 41 41 SER HB2 H 1 3.632 0.020 . 1 . . . . 55 SER HB2 . 34013 1 462 . 1 1 41 41 SER HB3 H 1 3.632 0.020 . 1 . . . . 55 SER HB3 . 34013 1 463 . 1 1 41 41 SER C C 13 173.664 0.300 . 1 . . . . 55 SER C . 34013 1 464 . 1 1 41 41 SER CA C 13 61.090 0.300 . 1 . . . . 55 SER CA . 34013 1 465 . 1 1 41 41 SER CB C 13 62.028 0.300 . 1 . . . . 55 SER CB . 34013 1 466 . 1 1 41 41 SER N N 15 118.067 0.300 . 1 . . . . 55 SER N . 34013 1 467 . 1 1 42 42 GLY H H 1 8.590 0.020 . 1 . . . . 56 GLY H . 34013 1 468 . 1 1 42 42 GLY HA2 H 1 3.663 0.020 . 1 . . . . 56 GLY HA2 . 34013 1 469 . 1 1 42 42 GLY HA3 H 1 3.663 0.020 . 1 . . . . 56 GLY HA3 . 34013 1 470 . 1 1 42 42 GLY C C 13 173.686 0.300 . 1 . . . . 56 GLY C . 34013 1 471 . 1 1 42 42 GLY CA C 13 44.980 0.300 . 1 . . . . 56 GLY CA . 34013 1 472 . 1 1 42 42 GLY N N 15 106.234 0.300 . 1 . . . . 56 GLY N . 34013 1 473 . 1 1 43 43 GLY H H 1 7.713 0.020 . 1 . . . . 57 GLY H . 34013 1 474 . 1 1 43 43 GLY HA2 H 1 3.957 0.020 . 2 . . . . 57 GLY HA2 . 34013 1 475 . 1 1 43 43 GLY HA3 H 1 3.517 0.020 . 2 . . . . 57 GLY HA3 . 34013 1 476 . 1 1 43 43 GLY C C 13 172.606 0.300 . 1 . . . . 57 GLY C . 34013 1 477 . 1 1 43 43 GLY CA C 13 43.611 0.300 . 1 . . . . 57 GLY CA . 34013 1 478 . 1 1 43 43 GLY N N 15 107.120 0.300 . 1 . . . . 57 GLY N . 34013 1 479 . 1 1 44 44 HIS H H 1 7.744 0.020 . 1 . . . . 58 HIS H . 34013 1 480 . 1 1 44 44 HIS HA H 1 4.409 0.020 . 1 . . . . 58 HIS HA . 34013 1 481 . 1 1 44 44 HIS HB2 H 1 2.800 0.020 . 2 . . . . 58 HIS HB2 . 34013 1 482 . 1 1 44 44 HIS HB3 H 1 2.498 0.020 . 2 . . . . 58 HIS HB3 . 34013 1 483 . 1 1 44 44 HIS HD2 H 1 6.640 0.020 . 1 . . . . 58 HIS HD2 . 34013 1 484 . 1 1 44 44 HIS HE1 H 1 7.770 0.020 . 1 . . . . 58 HIS HE1 . 34013 1 485 . 1 1 44 44 HIS C C 13 173.448 0.300 . 1 . . . . 58 HIS C . 34013 1 486 . 1 1 44 44 HIS CA C 13 54.679 0.300 . 1 . . . . 58 HIS CA . 34013 1 487 . 1 1 44 44 HIS CB C 13 30.513 0.300 . 1 . . . . 58 HIS CB . 34013 1 488 . 1 1 44 44 HIS N N 15 118.651 0.300 . 1 . . . . 58 HIS N . 34013 1 489 . 1 1 44 44 HIS ND1 N 15 205.549 0.300 . 1 . . . . 58 HIS ND1 . 34013 1 490 . 1 1 44 44 HIS NE2 N 15 177.860 0.300 . 1 . . . . 58 HIS NE2 . 34013 1 491 . 1 1 45 45 ALA H H 1 8.537 0.020 . 1 . . . . 59 ALA H . 34013 1 492 . 1 1 45 45 ALA HA H 1 4.336 0.020 . 1 . . . . 59 ALA HA . 34013 1 493 . 1 1 45 45 ALA HB1 H 1 1.225 0.020 . 1 . . . . 59 ALA HB . 34013 1 494 . 1 1 45 45 ALA HB2 H 1 1.225 0.020 . 1 . . . . 59 ALA HB . 34013 1 495 . 1 1 45 45 ALA HB3 H 1 1.225 0.020 . 1 . . . . 59 ALA HB . 34013 1 496 . 1 1 45 45 ALA C C 13 175.322 0.300 . 1 . . . . 59 ALA C . 34013 1 497 . 1 1 45 45 ALA CA C 13 50.991 0.300 . 1 . . . . 59 ALA CA . 34013 1 498 . 1 1 45 45 ALA CB C 13 15.432 0.300 . 1 . . . . 59 ALA CB . 34013 1 499 . 1 1 45 45 ALA N N 15 125.186 0.300 . 1 . . . . 59 ALA N . 34013 1 500 . 1 1 46 46 VAL H H 1 7.735 0.020 . 1 . . . . 60 VAL H . 34013 1 501 . 1 1 46 46 VAL HA H 1 4.641 0.020 . 1 . . . . 60 VAL HA . 34013 1 502 . 1 1 46 46 VAL HB H 1 2.182 0.020 . 1 . . . . 60 VAL HB . 34013 1 503 . 1 1 46 46 VAL HG11 H 1 0.886 0.020 . 1 . . . . 60 VAL HG1 . 34013 1 504 . 1 1 46 46 VAL HG12 H 1 0.886 0.020 . 1 . . . . 60 VAL HG1 . 34013 1 505 . 1 1 46 46 VAL HG13 H 1 0.886 0.020 . 1 . . . . 60 VAL HG1 . 34013 1 506 . 1 1 46 46 VAL HG21 H 1 0.714 0.020 . 1 . . . . 60 VAL HG2 . 34013 1 507 . 1 1 46 46 VAL HG22 H 1 0.714 0.020 . 1 . . . . 60 VAL HG2 . 34013 1 508 . 1 1 46 46 VAL HG23 H 1 0.714 0.020 . 1 . . . . 60 VAL HG2 . 34013 1 509 . 1 1 46 46 VAL C C 13 173.310 0.300 . 1 . . . . 60 VAL C . 34013 1 510 . 1 1 46 46 VAL CA C 13 57.666 0.300 . 1 . . . . 60 VAL CA . 34013 1 511 . 1 1 46 46 VAL CB C 13 31.348 0.300 . 1 . . . . 60 VAL CB . 34013 1 512 . 1 1 46 46 VAL CG1 C 13 20.477 0.300 . 1 . . . . 60 VAL CG1 . 34013 1 513 . 1 1 46 46 VAL CG2 C 13 17.346 0.300 . 1 . . . . 60 VAL CG2 . 34013 1 514 . 1 1 46 46 VAL N N 15 115.770 0.300 . 1 . . . . 60 VAL N . 34013 1 515 . 1 1 48 48 PRO HA H 1 4.322 0.020 . 1 . . . . 62 PRO HA . 34013 1 516 . 1 1 48 48 PRO HB2 H 1 2.238 0.020 . 2 . . . . 62 PRO HB2 . 34013 1 517 . 1 1 48 48 PRO HB3 H 1 1.722 0.020 . 2 . . . . 62 PRO HB3 . 34013 1 518 . 1 1 48 48 PRO HG2 H 1 1.810 0.020 . 1 . . . . 62 PRO HG2 . 34013 1 519 . 1 1 48 48 PRO HG3 H 1 1.810 0.020 . 1 . . . . 62 PRO HG3 . 34013 1 520 . 1 1 48 48 PRO HD2 H 1 3.535 0.020 . 1 . . . . 62 PRO HD2 . 34013 1 521 . 1 1 48 48 PRO HD3 H 1 3.535 0.020 . 1 . . . . 62 PRO HD3 . 34013 1 522 . 1 1 48 48 PRO C C 13 176.386 0.300 . 1 . . . . 62 PRO C . 34013 1 523 . 1 1 48 48 PRO CA C 13 62.813 0.300 . 1 . . . . 62 PRO CA . 34013 1 524 . 1 1 48 48 PRO CB C 13 30.503 0.300 . 1 . . . . 62 PRO CB . 34013 1 525 . 1 1 48 48 PRO CG C 13 26.125 0.300 . 1 . . . . 62 PRO CG . 34013 1 526 . 1 1 48 48 PRO CD C 13 49.964 0.300 . 1 . . . . 62 PRO CD . 34013 1 527 . 1 1 49 49 GLY H H 1 8.673 0.020 . 1 . . . . 63 GLY H . 34013 1 528 . 1 1 49 49 GLY HA2 H 1 4.046 0.020 . 2 . . . . 63 GLY HA2 . 34013 1 529 . 1 1 49 49 GLY HA3 H 1 3.675 0.020 . 2 . . . . 63 GLY HA3 . 34013 1 530 . 1 1 49 49 GLY C C 13 174.131 0.300 . 1 . . . . 63 GLY C . 34013 1 531 . 1 1 49 49 GLY CA C 13 44.279 0.300 . 1 . . . . 63 GLY CA . 34013 1 532 . 1 1 49 49 GLY N N 15 111.675 0.300 . 1 . . . . 63 GLY N . 34013 1 533 . 1 1 50 50 SER H H 1 7.656 0.020 . 1 . . . . 64 SER H . 34013 1 534 . 1 1 50 50 SER HA H 1 4.238 0.020 . 1 . . . . 64 SER HA . 34013 1 535 . 1 1 50 50 SER HB2 H 1 3.881 0.020 . 2 . . . . 64 SER HB2 . 34013 1 536 . 1 1 50 50 SER HB3 H 1 3.764 0.020 . 2 . . . . 64 SER HB3 . 34013 1 537 . 1 1 50 50 SER C C 13 172.134 0.300 . 1 . . . . 64 SER C . 34013 1 538 . 1 1 50 50 SER CA C 13 59.868 0.300 . 1 . . . . 64 SER CA . 34013 1 539 . 1 1 50 50 SER CB C 13 63.952 0.300 . 1 . . . . 64 SER CB . 34013 1 540 . 1 1 50 50 SER N N 15 115.703 0.300 . 1 . . . . 64 SER N . 34013 1 541 . 1 1 51 51 GLU H H 1 8.983 0.020 . 1 . . . . 65 GLU H . 34013 1 542 . 1 1 51 51 GLU HA H 1 4.152 0.020 . 1 . . . . 65 GLU HA . 34013 1 543 . 1 1 51 51 GLU HB2 H 1 2.177 0.020 . 2 . . . . 65 GLU HB2 . 34013 1 544 . 1 1 51 51 GLU HB3 H 1 2.025 0.020 . 2 . . . . 65 GLU HB3 . 34013 1 545 . 1 1 51 51 GLU HG2 H 1 2.149 0.020 . 1 . . . . 65 GLU HG2 . 34013 1 546 . 1 1 51 51 GLU HG3 H 1 2.149 0.020 . 1 . . . . 65 GLU HG3 . 34013 1 547 . 1 1 51 51 GLU C C 13 171.660 0.300 . 1 . . . . 65 GLU C . 34013 1 548 . 1 1 51 51 GLU CA C 13 54.581 0.300 . 1 . . . . 65 GLU CA . 34013 1 549 . 1 1 51 51 GLU CB C 13 30.254 0.300 . 1 . . . . 65 GLU CB . 34013 1 550 . 1 1 51 51 GLU CG C 13 34.869 0.300 . 1 . . . . 65 GLU CG . 34013 1 551 . 1 1 51 51 GLU N N 15 125.121 0.300 . 1 . . . . 65 GLU N . 34013 1 552 . 1 1 52 52 THR H H 1 7.702 0.020 . 1 . . . . 66 THR H . 34013 1 553 . 1 1 52 52 THR HA H 1 4.500 0.020 . 1 . . . . 66 THR HA . 34013 1 554 . 1 1 52 52 THR HB H 1 3.250 0.020 . 1 . . . . 66 THR HB . 34013 1 555 . 1 1 52 52 THR HG21 H 1 0.849 0.020 . 1 . . . . 66 THR HG2 . 34013 1 556 . 1 1 52 52 THR HG22 H 1 0.849 0.020 . 1 . . . . 66 THR HG2 . 34013 1 557 . 1 1 52 52 THR HG23 H 1 0.849 0.020 . 1 . . . . 66 THR HG2 . 34013 1 558 . 1 1 52 52 THR C C 13 175.091 0.300 . 1 . . . . 66 THR C . 34013 1 559 . 1 1 52 52 THR CA C 13 61.256 0.300 . 1 . . . . 66 THR CA . 34013 1 560 . 1 1 52 52 THR CB C 13 68.314 0.300 . 1 . . . . 66 THR CB . 34013 1 561 . 1 1 52 52 THR CG2 C 13 22.608 0.300 . 1 . . . . 66 THR CG2 . 34013 1 562 . 1 1 52 52 THR N N 15 106.975 0.300 . 1 . . . . 66 THR N . 34013 1 563 . 1 1 53 53 HIS H H 1 7.678 0.020 . 1 . . . . 67 HIS H . 34013 1 564 . 1 1 53 53 HIS HA H 1 5.147 0.020 . 1 . . . . 67 HIS HA . 34013 1 565 . 1 1 53 53 HIS HB2 H 1 2.052 0.020 . 2 . . . . 67 HIS HB2 . 34013 1 566 . 1 1 53 53 HIS HB3 H 1 2.615 0.020 . 2 . . . . 67 HIS HB3 . 34013 1 567 . 1 1 53 53 HIS HD2 H 1 6.292 0.020 . 1 . . . . 67 HIS HD2 . 34013 1 568 . 1 1 53 53 HIS HE1 H 1 7.236 0.020 . 1 . . . . 67 HIS HE1 . 34013 1 569 . 1 1 53 53 HIS C C 13 173.076 0.300 . 1 . . . . 67 HIS C . 34013 1 570 . 1 1 53 53 HIS CA C 13 55.492 0.300 . 1 . . . . 67 HIS CA . 34013 1 571 . 1 1 53 53 HIS CB C 13 31.593 0.300 . 1 . . . . 67 HIS CB . 34013 1 572 . 1 1 53 53 HIS N N 15 121.942 0.300 . 1 . . . . 67 HIS N . 34013 1 573 . 1 1 53 53 HIS ND1 N 15 217.336 0.300 . 1 . . . . 67 HIS ND1 . 34013 1 574 . 1 1 53 53 HIS NE2 N 15 175.652 0.300 . 1 . . . . 67 HIS NE2 . 34013 1 575 . 1 1 54 54 PHE H H 1 8.093 0.020 . 1 . . . . 68 PHE H . 34013 1 576 . 1 1 54 54 PHE HA H 1 5.357 0.020 . 1 . . . . 68 PHE HA . 34013 1 577 . 1 1 54 54 PHE HB2 H 1 2.562 0.020 . 2 . . . . 68 PHE HB2 . 34013 1 578 . 1 1 54 54 PHE HB3 H 1 2.372 0.020 . 2 . . . . 68 PHE HB3 . 34013 1 579 . 1 1 54 54 PHE HD1 H 1 6.710 0.020 . 1 . . . . 68 PHE HD1 . 34013 1 580 . 1 1 54 54 PHE HD2 H 1 6.710 0.020 . 1 . . . . 68 PHE HD2 . 34013 1 581 . 1 1 54 54 PHE HE1 H 1 7.050 0.020 . 1 . . . . 68 PHE HE1 . 34013 1 582 . 1 1 54 54 PHE HE2 H 1 7.050 0.020 . 1 . . . . 68 PHE HE2 . 34013 1 583 . 1 1 54 54 PHE C C 13 174.024 0.300 . 1 . . . . 68 PHE C . 34013 1 584 . 1 1 54 54 PHE CA C 13 55.481 0.300 . 1 . . . . 68 PHE CA . 34013 1 585 . 1 1 54 54 PHE CB C 13 44.183 0.300 . 1 . . . . 68 PHE CB . 34013 1 586 . 1 1 54 54 PHE N N 15 117.310 0.300 . 1 . . . . 68 PHE N . 34013 1 587 . 1 1 55 55 ARG H H 1 9.149 0.020 . 1 . . . . 69 ARG H . 34013 1 588 . 1 1 55 55 ARG HA H 1 5.079 0.020 . 1 . . . . 69 ARG HA . 34013 1 589 . 1 1 55 55 ARG HB2 H 1 1.617 0.020 . 1 . . . . 69 ARG HB2 . 34013 1 590 . 1 1 55 55 ARG HB3 H 1 1.617 0.020 . 1 . . . . 69 ARG HB3 . 34013 1 591 . 1 1 55 55 ARG HG2 H 1 1.309 0.020 . 1 . . . . 69 ARG HG2 . 34013 1 592 . 1 1 55 55 ARG HG3 H 1 1.309 0.020 . 1 . . . . 69 ARG HG3 . 34013 1 593 . 1 1 55 55 ARG HD2 H 1 3.122 0.020 . 2 . . . . 69 ARG HD2 . 34013 1 594 . 1 1 55 55 ARG HD3 H 1 2.874 0.020 . 2 . . . . 69 ARG HD3 . 34013 1 595 . 1 1 55 55 ARG C C 13 173.430 0.300 . 1 . . . . 69 ARG C . 34013 1 596 . 1 1 55 55 ARG CA C 13 53.900 0.300 . 1 . . . . 69 ARG CA . 34013 1 597 . 1 1 55 55 ARG CB C 13 31.816 0.300 . 1 . . . . 69 ARG CB . 34013 1 598 . 1 1 55 55 ARG CG C 13 26.098 0.300 . 1 . . . . 69 ARG CG . 34013 1 599 . 1 1 55 55 ARG CD C 13 41.717 0.300 . 1 . . . . 69 ARG CD . 34013 1 600 . 1 1 55 55 ARG N N 15 123.132 0.300 . 1 . . . . 69 ARG N . 34013 1 601 . 1 1 56 56 VAL H H 1 9.131 0.020 . 1 . . . . 70 VAL H . 34013 1 602 . 1 1 56 56 VAL HA H 1 4.980 0.020 . 1 . . . . 70 VAL HA . 34013 1 603 . 1 1 56 56 VAL HB H 1 1.683 0.020 . 1 . . . . 70 VAL HB . 34013 1 604 . 1 1 56 56 VAL HG11 H 1 0.621 0.020 . 1 . . . . 70 VAL HG1 . 34013 1 605 . 1 1 56 56 VAL HG12 H 1 0.621 0.020 . 1 . . . . 70 VAL HG1 . 34013 1 606 . 1 1 56 56 VAL HG13 H 1 0.621 0.020 . 1 . . . . 70 VAL HG1 . 34013 1 607 . 1 1 56 56 VAL HG21 H 1 0.627 0.020 . 1 . . . . 70 VAL HG2 . 34013 1 608 . 1 1 56 56 VAL HG22 H 1 0.627 0.020 . 1 . . . . 70 VAL HG2 . 34013 1 609 . 1 1 56 56 VAL HG23 H 1 0.627 0.020 . 1 . . . . 70 VAL HG2 . 34013 1 610 . 1 1 56 56 VAL C C 13 171.420 0.300 . 1 . . . . 70 VAL C . 34013 1 611 . 1 1 56 56 VAL CA C 13 58.075 0.300 . 1 . . . . 70 VAL CA . 34013 1 612 . 1 1 56 56 VAL CB C 13 34.604 0.300 . 1 . . . . 70 VAL CB . 34013 1 613 . 1 1 56 56 VAL CG1 C 13 20.461 0.300 . 1 . . . . 70 VAL CG1 . 34013 1 614 . 1 1 56 56 VAL CG2 C 13 19.222 0.300 . 1 . . . . 70 VAL CG2 . 34013 1 615 . 1 1 56 56 VAL N N 15 124.694 0.300 . 1 . . . . 70 VAL N . 34013 1 616 . 1 1 57 57 ALA H H 1 8.968 0.020 . 1 . . . . 71 ALA H . 34013 1 617 . 1 1 57 57 ALA HA H 1 5.290 0.020 . 1 . . . . 71 ALA HA . 34013 1 618 . 1 1 57 57 ALA HB1 H 1 1.200 0.020 . 1 . . . . 71 ALA HB . 34013 1 619 . 1 1 57 57 ALA HB2 H 1 1.200 0.020 . 1 . . . . 71 ALA HB . 34013 1 620 . 1 1 57 57 ALA HB3 H 1 1.200 0.020 . 1 . . . . 71 ALA HB . 34013 1 621 . 1 1 57 57 ALA C C 13 174.318 0.300 . 1 . . . . 71 ALA C . 34013 1 622 . 1 1 57 57 ALA CA C 13 49.540 0.300 . 1 . . . . 71 ALA CA . 34013 1 623 . 1 1 57 57 ALA CB C 13 18.959 0.300 . 1 . . . . 71 ALA CB . 34013 1 624 . 1 1 57 57 ALA N N 15 131.532 0.300 . 1 . . . . 71 ALA N . 34013 1 625 . 1 1 58 58 VAL H H 1 8.722 0.020 . 1 . . . . 72 VAL H . 34013 1 626 . 1 1 58 58 VAL HA H 1 4.802 0.020 . 1 . . . . 72 VAL HA . 34013 1 627 . 1 1 58 58 VAL HB H 1 1.815 0.020 . 1 . . . . 72 VAL HB . 34013 1 628 . 1 1 58 58 VAL HG11 H 1 0.841 0.020 . 1 . . . . 72 VAL HG1 . 34013 1 629 . 1 1 58 58 VAL HG12 H 1 0.841 0.020 . 1 . . . . 72 VAL HG1 . 34013 1 630 . 1 1 58 58 VAL HG13 H 1 0.841 0.020 . 1 . . . . 72 VAL HG1 . 34013 1 631 . 1 1 58 58 VAL HG21 H 1 0.910 0.020 . 1 . . . . 72 VAL HG2 . 34013 1 632 . 1 1 58 58 VAL HG22 H 1 0.910 0.020 . 1 . . . . 72 VAL HG2 . 34013 1 633 . 1 1 58 58 VAL HG23 H 1 0.910 0.020 . 1 . . . . 72 VAL HG2 . 34013 1 634 . 1 1 58 58 VAL C C 13 171.774 0.300 . 1 . . . . 72 VAL C . 34013 1 635 . 1 1 58 58 VAL CA C 13 57.503 0.300 . 1 . . . . 72 VAL CA . 34013 1 636 . 1 1 58 58 VAL CB C 13 33.692 0.300 . 1 . . . . 72 VAL CB . 34013 1 637 . 1 1 58 58 VAL CG1 C 13 20.475 0.300 . 1 . . . . 72 VAL CG1 . 34013 1 638 . 1 1 58 58 VAL CG2 C 13 17.967 0.300 . 1 . . . . 72 VAL CG2 . 34013 1 639 . 1 1 58 58 VAL N N 15 119.833 0.300 . 1 . . . . 72 VAL N . 34013 1 640 . 1 1 59 59 VAL H H 1 8.270 0.020 . 1 . . . . 73 VAL H . 34013 1 641 . 1 1 59 59 VAL HA H 1 5.232 0.020 . 1 . . . . 73 VAL HA . 34013 1 642 . 1 1 59 59 VAL HB H 1 1.344 0.020 . 1 . . . . 73 VAL HB . 34013 1 643 . 1 1 59 59 VAL HG11 H 1 0.447 0.020 . 1 . . . . 73 VAL HG1 . 34013 1 644 . 1 1 59 59 VAL HG12 H 1 0.447 0.020 . 1 . . . . 73 VAL HG1 . 34013 1 645 . 1 1 59 59 VAL HG13 H 1 0.447 0.020 . 1 . . . . 73 VAL HG1 . 34013 1 646 . 1 1 59 59 VAL HG21 H 1 -0.102 0.020 . 1 . . . . 73 VAL HG2 . 34013 1 647 . 1 1 59 59 VAL HG22 H 1 -0.102 0.020 . 1 . . . . 73 VAL HG2 . 34013 1 648 . 1 1 59 59 VAL HG23 H 1 -0.102 0.020 . 1 . . . . 73 VAL HG2 . 34013 1 649 . 1 1 59 59 VAL C C 13 175.080 0.300 . 1 . . . . 73 VAL C . 34013 1 650 . 1 1 59 59 VAL CA C 13 58.359 0.300 . 1 . . . . 73 VAL CA . 34013 1 651 . 1 1 59 59 VAL CB C 13 31.887 0.300 . 1 . . . . 73 VAL CB . 34013 1 652 . 1 1 59 59 VAL CG1 C 13 19.189 0.300 . 1 . . . . 73 VAL CG1 . 34013 1 653 . 1 1 59 59 VAL CG2 C 13 17.965 0.300 . 1 . . . . 73 VAL CG2 . 34013 1 654 . 1 1 59 59 VAL N N 15 128.896 0.300 . 1 . . . . 73 VAL N . 34013 1 655 . 1 1 60 60 SER H H 1 8.037 0.020 . 1 . . . . 74 SER H . 34013 1 656 . 1 1 60 60 SER HA H 1 5.054 0.020 . 1 . . . . 74 SER HA . 34013 1 657 . 1 1 60 60 SER HB2 H 1 2.997 0.020 . 2 . . . . 74 SER HB2 . 34013 1 658 . 1 1 60 60 SER HB3 H 1 2.061 0.020 . 2 . . . . 74 SER HB3 . 34013 1 659 . 1 1 60 60 SER C C 13 175.041 0.300 . 1 . . . . 74 SER C . 34013 1 660 . 1 1 60 60 SER CA C 13 54.874 0.300 . 1 . . . . 74 SER CA . 34013 1 661 . 1 1 60 60 SER CB C 13 63.109 0.300 . 1 . . . . 74 SER CB . 34013 1 662 . 1 1 60 60 SER N N 15 116.427 0.300 . 1 . . . . 74 SER N . 34013 1 663 . 1 1 61 61 SER H H 1 9.723 0.020 . 1 . . . . 75 SER H . 34013 1 664 . 1 1 61 61 SER HA H 1 4.546 0.020 . 1 . . . . 75 SER HA . 34013 1 665 . 1 1 61 61 SER HB2 H 1 3.939 0.020 . 2 . . . . 75 SER HB2 . 34013 1 666 . 1 1 61 61 SER HB3 H 1 3.856 0.020 . 2 . . . . 75 SER HB3 . 34013 1 667 . 1 1 61 61 SER CA C 13 60.248 0.300 . 1 . . . . 75 SER CA . 34013 1 668 . 1 1 61 61 SER CB C 13 61.623 0.300 . 1 . . . . 75 SER CB . 34013 1 669 . 1 1 61 61 SER N N 15 128.555 0.300 . 1 . . . . 75 SER N . 34013 1 670 . 1 1 62 62 ARG H H 1 8.243 0.020 . 1 . . . . 76 ARG H . 34013 1 671 . 1 1 62 62 ARG HA H 1 4.009 0.020 . 1 . . . . 76 ARG HA . 34013 1 672 . 1 1 62 62 ARG HB2 H 1 1.482 0.020 . 2 . . . . 76 ARG HB2 . 34013 1 673 . 1 1 62 62 ARG HB3 H 1 1.186 0.020 . 2 . . . . 76 ARG HB3 . 34013 1 674 . 1 1 62 62 ARG HG2 H 1 1.437 0.020 . 1 . . . . 76 ARG HG2 . 34013 1 675 . 1 1 62 62 ARG HG3 H 1 1.437 0.020 . 1 . . . . 76 ARG HG3 . 34013 1 676 . 1 1 62 62 ARG HD2 H 1 3.025 0.020 . 1 . . . . 76 ARG HD2 . 34013 1 677 . 1 1 62 62 ARG HD3 H 1 3.025 0.020 . 1 . . . . 76 ARG HD3 . 34013 1 678 . 1 1 62 62 ARG C C 13 175.497 0.300 . 1 . . . . 76 ARG C . 34013 1 679 . 1 1 62 62 ARG CA C 13 55.962 0.300 . 1 . . . . 76 ARG CA . 34013 1 680 . 1 1 62 62 ARG CB C 13 27.764 0.300 . 1 . . . . 76 ARG CB . 34013 1 681 . 1 1 62 62 ARG CG C 13 25.774 0.300 . 1 . . . . 76 ARG CG . 34013 1 682 . 1 1 62 62 ARG CD C 13 41.107 0.300 . 1 . . . . 76 ARG CD . 34013 1 683 . 1 1 62 62 ARG N N 15 121.216 0.300 . 1 . . . . 76 ARG N . 34013 1 684 . 1 1 63 63 PHE H H 1 6.903 0.020 . 1 . . . . 77 PHE H . 34013 1 685 . 1 1 63 63 PHE HA H 1 4.608 0.020 . 1 . . . . 77 PHE HA . 34013 1 686 . 1 1 63 63 PHE HB2 H 1 3.055 0.020 . 2 . . . . 77 PHE HB2 . 34013 1 687 . 1 1 63 63 PHE HB3 H 1 2.927 0.020 . 2 . . . . 77 PHE HB3 . 34013 1 688 . 1 1 63 63 PHE HD1 H 1 7.152 0.020 . 1 . . . . 77 PHE HD1 . 34013 1 689 . 1 1 63 63 PHE HD2 H 1 7.152 0.020 . 1 . . . . 77 PHE HD2 . 34013 1 690 . 1 1 63 63 PHE HE1 H 1 7.280 0.020 . 1 . . . . 77 PHE HE1 . 34013 1 691 . 1 1 63 63 PHE HE2 H 1 7.280 0.020 . 1 . . . . 77 PHE HE2 . 34013 1 692 . 1 1 63 63 PHE HZ H 1 6.737 0.020 . 1 . . . . 77 PHE HZ . 34013 1 693 . 1 1 63 63 PHE C C 13 174.604 0.300 . 1 . . . . 77 PHE C . 34013 1 694 . 1 1 63 63 PHE CA C 13 53.305 0.300 . 1 . . . . 77 PHE CA . 34013 1 695 . 1 1 63 63 PHE CB C 13 36.565 0.300 . 1 . . . . 77 PHE CB . 34013 1 696 . 1 1 63 63 PHE N N 15 111.783 0.300 . 1 . . . . 77 PHE N . 34013 1 697 . 1 1 64 64 GLU H H 1 7.364 0.020 . 1 . . . . 78 GLU H . 34013 1 698 . 1 1 64 64 GLU HA H 1 3.858 0.020 . 1 . . . . 78 GLU HA . 34013 1 699 . 1 1 64 64 GLU HB2 H 1 2.059 0.020 . 2 . . . . 78 GLU HB2 . 34013 1 700 . 1 1 64 64 GLU HB3 H 1 1.960 0.020 . 2 . . . . 78 GLU HB3 . 34013 1 701 . 1 1 64 64 GLU HG2 H 1 2.230 0.020 . 1 . . . . 78 GLU HG2 . 34013 1 702 . 1 1 64 64 GLU HG3 H 1 2.230 0.020 . 1 . . . . 78 GLU HG3 . 34013 1 703 . 1 1 64 64 GLU C C 13 176.136 0.300 . 1 . . . . 78 GLU C . 34013 1 704 . 1 1 64 64 GLU CA C 13 57.290 0.300 . 1 . . . . 78 GLU CA . 34013 1 705 . 1 1 64 64 GLU CB C 13 28.038 0.300 . 1 . . . . 78 GLU CB . 34013 1 706 . 1 1 64 64 GLU CG C 13 34.850 0.300 . 1 . . . . 78 GLU CG . 34013 1 707 . 1 1 64 64 GLU N N 15 120.646 0.300 . 1 . . . . 78 GLU N . 34013 1 708 . 1 1 65 65 GLY H H 1 8.940 0.020 . 1 . . . . 79 GLY H . 34013 1 709 . 1 1 65 65 GLY HA2 H 1 4.114 0.020 . 2 . . . . 79 GLY HA2 . 34013 1 710 . 1 1 65 65 GLY HA3 H 1 3.614 0.020 . 2 . . . . 79 GLY HA3 . 34013 1 711 . 1 1 65 65 GLY C C 13 172.765 0.300 . 1 . . . . 79 GLY C . 34013 1 712 . 1 1 65 65 GLY CA C 13 44.406 0.300 . 1 . . . . 79 GLY CA . 34013 1 713 . 1 1 65 65 GLY N N 15 114.223 0.300 . 1 . . . . 79 GLY N . 34013 1 714 . 1 1 66 66 LEU H H 1 7.821 0.020 . 1 . . . . 80 LEU H . 34013 1 715 . 1 1 66 66 LEU HA H 1 4.688 0.020 . 1 . . . . 80 LEU HA . 34013 1 716 . 1 1 66 66 LEU HB2 H 1 1.730 0.020 . 2 . . . . 80 LEU HB2 . 34013 1 717 . 1 1 66 66 LEU HB3 H 1 1.373 0.020 . 2 . . . . 80 LEU HB3 . 34013 1 718 . 1 1 66 66 LEU HG H 1 1.533 0.020 . 1 . . . . 80 LEU HG . 34013 1 719 . 1 1 66 66 LEU HD11 H 1 0.841 0.020 . 1 . . . . 80 LEU HD1 . 34013 1 720 . 1 1 66 66 LEU HD12 H 1 0.841 0.020 . 1 . . . . 80 LEU HD1 . 34013 1 721 . 1 1 66 66 LEU HD13 H 1 0.841 0.020 . 1 . . . . 80 LEU HD1 . 34013 1 722 . 1 1 66 66 LEU HD21 H 1 0.736 0.020 . 1 . . . . 80 LEU HD2 . 34013 1 723 . 1 1 66 66 LEU HD22 H 1 0.736 0.020 . 1 . . . . 80 LEU HD2 . 34013 1 724 . 1 1 66 66 LEU HD23 H 1 0.736 0.020 . 1 . . . . 80 LEU HD2 . 34013 1 725 . 1 1 66 66 LEU C C 13 177.334 0.300 . 1 . . . . 80 LEU C . 34013 1 726 . 1 1 66 66 LEU CA C 13 52.507 0.300 . 1 . . . . 80 LEU CA . 34013 1 727 . 1 1 66 66 LEU CB C 13 42.139 0.300 . 1 . . . . 80 LEU CB . 34013 1 728 . 1 1 66 66 LEU CG C 13 26.414 0.300 . 1 . . . . 80 LEU CG . 34013 1 729 . 1 1 66 66 LEU CD1 C 13 24.782 0.300 . 1 . . . . 80 LEU CD1 . 34013 1 730 . 1 1 66 66 LEU CD2 C 13 21.735 0.300 . 1 . . . . 80 LEU CD2 . 34013 1 731 . 1 1 66 66 LEU N N 15 119.935 0.300 . 1 . . . . 80 LEU N . 34013 1 732 . 1 1 67 67 SER H H 1 9.220 0.020 . 1 . . . . 81 SER H . 34013 1 733 . 1 1 67 67 SER HA H 1 4.568 0.020 . 1 . . . . 81 SER HA . 34013 1 734 . 1 1 67 67 SER HB2 H 1 3.773 0.020 . 2 . . . . 81 SER HB2 . 34013 1 735 . 1 1 67 67 SER HB3 H 1 3.674 0.020 . 2 . . . . 81 SER HB3 . 34013 1 736 . 1 1 67 67 SER C C 13 171.879 0.300 . 1 . . . . 81 SER C . 34013 1 737 . 1 1 67 67 SER CA C 13 55.672 0.300 . 1 . . . . 81 SER CA . 34013 1 738 . 1 1 67 67 SER CB C 13 61.421 0.300 . 1 . . . . 81 SER CB . 34013 1 739 . 1 1 67 67 SER N N 15 122.783 0.300 . 1 . . . . 81 SER N . 34013 1 740 . 1 1 69 69 LEU HA H 1 3.778 0.020 . 1 . . . . 83 LEU HA . 34013 1 741 . 1 1 69 69 LEU HB2 H 1 1.496 0.020 . 2 . . . . 83 LEU HB2 . 34013 1 742 . 1 1 69 69 LEU HB3 H 1 1.402 0.020 . 2 . . . . 83 LEU HB3 . 34013 1 743 . 1 1 69 69 LEU C C 13 178.680 0.300 . 1 . . . . 83 LEU C . 34013 1 744 . 1 1 69 69 LEU CA C 13 57.248 0.300 . 1 . . . . 83 LEU CA . 34013 1 745 . 1 1 69 69 LEU CB C 13 40.924 0.300 . 1 . . . . 83 LEU CB . 34013 1 746 . 1 1 70 70 GLN H H 1 7.502 0.020 . 1 . . . . 84 GLN H . 34013 1 747 . 1 1 70 70 GLN HA H 1 3.746 0.020 . 1 . . . . 84 GLN HA . 34013 1 748 . 1 1 70 70 GLN HB2 H 1 2.323 0.020 . 1 . . . . 84 GLN HB2 . 34013 1 749 . 1 1 70 70 GLN HB3 H 1 2.323 0.020 . 1 . . . . 84 GLN HB3 . 34013 1 750 . 1 1 70 70 GLN HG2 H 1 2.360 0.020 . 1 . . . . 84 GLN HG2 . 34013 1 751 . 1 1 70 70 GLN HG3 H 1 2.360 0.020 . 1 . . . . 84 GLN HG3 . 34013 1 752 . 1 1 70 70 GLN HE21 H 1 7.510 0.020 . 1 . . . . 84 GLN HE21 . 34013 1 753 . 1 1 70 70 GLN HE22 H 1 6.870 0.020 . 1 . . . . 84 GLN HE22 . 34013 1 754 . 1 1 70 70 GLN C C 13 178.742 0.300 . 1 . . . . 84 GLN C . 34013 1 755 . 1 1 70 70 GLN CA C 13 57.851 0.300 . 1 . . . . 84 GLN CA . 34013 1 756 . 1 1 70 70 GLN CB C 13 28.325 0.300 . 1 . . . . 84 GLN CB . 34013 1 757 . 1 1 70 70 GLN CG C 13 33.919 0.300 . 1 . . . . 84 GLN CG . 34013 1 758 . 1 1 70 70 GLN N N 15 117.533 0.300 . 1 . . . . 84 GLN N . 34013 1 759 . 1 1 70 70 GLN NE2 N 15 111.997 0.300 . 1 . . . . 84 GLN NE2 . 34013 1 760 . 1 1 71 71 ARG H H 1 8.387 0.020 . 1 . . . . 85 ARG H . 34013 1 761 . 1 1 71 71 ARG HA H 1 3.637 0.020 . 1 . . . . 85 ARG HA . 34013 1 762 . 1 1 71 71 ARG HB2 H 1 1.665 0.020 . 1 . . . . 85 ARG HB2 . 34013 1 763 . 1 1 71 71 ARG HB3 H 1 1.665 0.020 . 1 . . . . 85 ARG HB3 . 34013 1 764 . 1 1 71 71 ARG HG2 H 1 1.622 0.020 . 1 . . . . 85 ARG HG2 . 34013 1 765 . 1 1 71 71 ARG HG3 H 1 1.622 0.020 . 1 . . . . 85 ARG HG3 . 34013 1 766 . 1 1 71 71 ARG HD2 H 1 2.741 0.020 . 1 . . . . 85 ARG HD2 . 34013 1 767 . 1 1 71 71 ARG HD3 H 1 2.741 0.020 . 1 . . . . 85 ARG HD3 . 34013 1 768 . 1 1 71 71 ARG C C 13 176.738 0.300 . 1 . . . . 85 ARG C . 34013 1 769 . 1 1 71 71 ARG CA C 13 58.623 0.300 . 1 . . . . 85 ARG CA . 34013 1 770 . 1 1 71 71 ARG CB C 13 28.588 0.300 . 1 . . . . 85 ARG CB . 34013 1 771 . 1 1 71 71 ARG CG C 13 26.138 0.300 . 1 . . . . 85 ARG CG . 34013 1 772 . 1 1 71 71 ARG CD C 13 42.354 0.300 . 1 . . . . 85 ARG CD . 34013 1 773 . 1 1 71 71 ARG N N 15 119.090 0.300 . 1 . . . . 85 ARG N . 34013 1 774 . 1 1 72 72 HIS H H 1 8.168 0.020 . 1 . . . . 86 HIS H . 34013 1 775 . 1 1 72 72 HIS HA H 1 3.743 0.020 . 1 . . . . 86 HIS HA . 34013 1 776 . 1 1 72 72 HIS HB2 H 1 2.999 0.020 . 2 . . . . 86 HIS HB2 . 34013 1 777 . 1 1 72 72 HIS HB3 H 1 2.737 0.020 . 2 . . . . 86 HIS HB3 . 34013 1 778 . 1 1 72 72 HIS HD2 H 1 6.326 0.020 . 1 . . . . 86 HIS HD2 . 34013 1 779 . 1 1 72 72 HIS HE1 H 1 7.650 0.020 . 1 . . . . 86 HIS HE1 . 34013 1 780 . 1 1 72 72 HIS C C 13 176.620 0.300 . 1 . . . . 86 HIS C . 34013 1 781 . 1 1 72 72 HIS CA C 13 58.476 0.300 . 1 . . . . 86 HIS CA . 34013 1 782 . 1 1 72 72 HIS CB C 13 28.854 0.300 . 1 . . . . 86 HIS CB . 34013 1 783 . 1 1 72 72 HIS N N 15 117.679 0.300 . 1 . . . . 86 HIS N . 34013 1 784 . 1 1 72 72 HIS ND1 N 15 216.185 0.300 . 1 . . . . 86 HIS ND1 . 34013 1 785 . 1 1 72 72 HIS NE2 N 15 193.886 0.300 . 1 . . . . 86 HIS NE2 . 34013 1 786 . 1 1 73 73 ARG H H 1 8.134 0.020 . 1 . . . . 87 ARG H . 34013 1 787 . 1 1 73 73 ARG HA H 1 3.862 0.020 . 1 . . . . 87 ARG HA . 34013 1 788 . 1 1 73 73 ARG HB2 H 1 1.790 0.020 . 1 . . . . 87 ARG HB2 . 34013 1 789 . 1 1 73 73 ARG HB3 H 1 1.790 0.020 . 1 . . . . 87 ARG HB3 . 34013 1 790 . 1 1 73 73 ARG HG2 H 1 1.745 0.020 . 1 . . . . 87 ARG HG2 . 34013 1 791 . 1 1 73 73 ARG HG3 H 1 1.745 0.020 . 1 . . . . 87 ARG HG3 . 34013 1 792 . 1 1 73 73 ARG HD2 H 1 3.051 0.020 . 2 . . . . 87 ARG HD2 . 34013 1 793 . 1 1 73 73 ARG HD3 H 1 2.751 0.020 . 2 . . . . 87 ARG HD3 . 34013 1 794 . 1 1 73 73 ARG C C 13 177.898 0.300 . 1 . . . . 87 ARG C . 34013 1 795 . 1 1 73 73 ARG CA C 13 58.676 0.300 . 1 . . . . 87 ARG CA . 34013 1 796 . 1 1 73 73 ARG CB C 13 28.595 0.300 . 1 . . . . 87 ARG CB . 34013 1 797 . 1 1 73 73 ARG CG C 13 26.105 0.300 . 1 . . . . 87 ARG CG . 34013 1 798 . 1 1 73 73 ARG CD C 13 42.341 0.300 . 1 . . . . 87 ARG CD . 34013 1 799 . 1 1 73 73 ARG N N 15 117.884 0.300 . 1 . . . . 87 ARG N . 34013 1 800 . 1 1 74 74 LEU H H 1 7.445 0.020 . 1 . . . . 88 LEU H . 34013 1 801 . 1 1 74 74 LEU HA H 1 4.022 0.020 . 1 . . . . 88 LEU HA . 34013 1 802 . 1 1 74 74 LEU HB2 H 1 1.928 0.020 . 2 . . . . 88 LEU HB2 . 34013 1 803 . 1 1 74 74 LEU HB3 H 1 1.597 0.020 . 2 . . . . 88 LEU HB3 . 34013 1 804 . 1 1 74 74 LEU HG H 1 1.726 0.020 . 1 . . . . 88 LEU HG . 34013 1 805 . 1 1 74 74 LEU HD11 H 1 0.739 0.020 . 1 . . . . 88 LEU HD1 . 34013 1 806 . 1 1 74 74 LEU HD12 H 1 0.739 0.020 . 1 . . . . 88 LEU HD1 . 34013 1 807 . 1 1 74 74 LEU HD13 H 1 0.739 0.020 . 1 . . . . 88 LEU HD1 . 34013 1 808 . 1 1 74 74 LEU HD21 H 1 0.753 0.020 . 1 . . . . 88 LEU HD2 . 34013 1 809 . 1 1 74 74 LEU HD22 H 1 0.753 0.020 . 1 . . . . 88 LEU HD2 . 34013 1 810 . 1 1 74 74 LEU HD23 H 1 0.753 0.020 . 1 . . . . 88 LEU HD2 . 34013 1 811 . 1 1 74 74 LEU C C 13 178.767 0.300 . 1 . . . . 88 LEU C . 34013 1 812 . 1 1 74 74 LEU CA C 13 57.075 0.300 . 1 . . . . 88 LEU CA . 34013 1 813 . 1 1 74 74 LEU CB C 13 41.621 0.300 . 1 . . . . 88 LEU CB . 34013 1 814 . 1 1 74 74 LEU CG C 13 25.480 0.300 . 1 . . . . 88 LEU CG . 34013 1 815 . 1 1 74 74 LEU CD1 C 13 23.625 0.300 . 1 . . . . 88 LEU CD1 . 34013 1 816 . 1 1 74 74 LEU CD2 C 13 22.342 0.300 . 1 . . . . 88 LEU CD2 . 34013 1 817 . 1 1 74 74 LEU N N 15 119.378 0.300 . 1 . . . . 88 LEU N . 34013 1 818 . 1 1 75 75 VAL H H 1 7.278 0.020 . 1 . . . . 89 VAL H . 34013 1 819 . 1 1 75 75 VAL HA H 1 3.268 0.020 . 1 . . . . 89 VAL HA . 34013 1 820 . 1 1 75 75 VAL HB H 1 2.119 0.020 . 1 . . . . 89 VAL HB . 34013 1 821 . 1 1 75 75 VAL HG11 H 1 0.928 0.020 . 1 . . . . 89 VAL HG1 . 34013 1 822 . 1 1 75 75 VAL HG12 H 1 0.928 0.020 . 1 . . . . 89 VAL HG1 . 34013 1 823 . 1 1 75 75 VAL HG13 H 1 0.928 0.020 . 1 . . . . 89 VAL HG1 . 34013 1 824 . 1 1 75 75 VAL HG21 H 1 0.661 0.020 . 1 . . . . 89 VAL HG2 . 34013 1 825 . 1 1 75 75 VAL HG22 H 1 0.661 0.020 . 1 . . . . 89 VAL HG2 . 34013 1 826 . 1 1 75 75 VAL HG23 H 1 0.661 0.020 . 1 . . . . 89 VAL HG2 . 34013 1 827 . 1 1 75 75 VAL C C 13 175.798 0.300 . 1 . . . . 89 VAL C . 34013 1 828 . 1 1 75 75 VAL CA C 13 65.790 0.300 . 1 . . . . 89 VAL CA . 34013 1 829 . 1 1 75 75 VAL CB C 13 30.221 0.300 . 1 . . . . 89 VAL CB . 34013 1 830 . 1 1 75 75 VAL CG1 C 13 20.813 0.300 . 1 . . . . 89 VAL CG1 . 34013 1 831 . 1 1 75 75 VAL CG2 C 13 20.453 0.300 . 1 . . . . 89 VAL CG2 . 34013 1 832 . 1 1 75 75 VAL N N 15 118.781 0.300 . 1 . . . . 89 VAL N . 34013 1 833 . 1 1 76 76 HIS H H 1 8.539 0.020 . 1 . . . . 90 HIS H . 34013 1 834 . 1 1 76 76 HIS HA H 1 3.755 0.020 . 1 . . . . 90 HIS HA . 34013 1 835 . 1 1 76 76 HIS HB2 H 1 2.927 0.020 . 2 . . . . 90 HIS HB2 . 34013 1 836 . 1 1 76 76 HIS HB3 H 1 2.870 0.020 . 2 . . . . 90 HIS HB3 . 34013 1 837 . 1 1 76 76 HIS HD2 H 1 6.431 0.020 . 1 . . . . 90 HIS HD2 . 34013 1 838 . 1 1 76 76 HIS HE1 H 1 7.597 0.020 . 1 . . . . 90 HIS HE1 . 34013 1 839 . 1 1 76 76 HIS C C 13 177.574 0.300 . 1 . . . . 90 HIS C . 34013 1 840 . 1 1 76 76 HIS CA C 13 58.305 0.300 . 1 . . . . 90 HIS CA . 34013 1 841 . 1 1 76 76 HIS CB C 13 29.490 0.300 . 1 . . . . 90 HIS CB . 34013 1 842 . 1 1 76 76 HIS N N 15 117.136 0.300 . 1 . . . . 90 HIS N . 34013 1 843 . 1 1 76 76 HIS ND1 N 15 223.905 0.300 . 1 . . . . 90 HIS ND1 . 34013 1 844 . 1 1 76 76 HIS NE2 N 15 187.512 0.300 . 1 . . . . 90 HIS NE2 . 34013 1 845 . 1 1 77 77 ALA H H 1 8.211 0.020 . 1 . . . . 91 ALA H . 34013 1 846 . 1 1 77 77 ALA HA H 1 3.984 0.020 . 1 . . . . 91 ALA HA . 34013 1 847 . 1 1 77 77 ALA HB1 H 1 1.374 0.020 . 1 . . . . 91 ALA HB . 34013 1 848 . 1 1 77 77 ALA HB2 H 1 1.374 0.020 . 1 . . . . 91 ALA HB . 34013 1 849 . 1 1 77 77 ALA HB3 H 1 1.374 0.020 . 1 . . . . 91 ALA HB . 34013 1 850 . 1 1 77 77 ALA C C 13 179.541 0.300 . 1 . . . . 91 ALA C . 34013 1 851 . 1 1 77 77 ALA CA C 13 53.809 0.300 . 1 . . . . 91 ALA CA . 34013 1 852 . 1 1 77 77 ALA CB C 13 16.933 0.300 . 1 . . . . 91 ALA CB . 34013 1 853 . 1 1 77 77 ALA N N 15 119.713 0.300 . 1 . . . . 91 ALA N . 34013 1 854 . 1 1 78 78 ALA H H 1 7.250 0.020 . 1 . . . . 92 ALA H . 34013 1 855 . 1 1 78 78 ALA HA H 1 4.114 0.020 . 1 . . . . 92 ALA HA . 34013 1 856 . 1 1 78 78 ALA HB1 H 1 1.189 0.020 . 1 . . . . 92 ALA HB . 34013 1 857 . 1 1 78 78 ALA HB2 H 1 1.189 0.020 . 1 . . . . 92 ALA HB . 34013 1 858 . 1 1 78 78 ALA HB3 H 1 1.189 0.020 . 1 . . . . 92 ALA HB . 34013 1 859 . 1 1 78 78 ALA C C 13 177.662 0.300 . 1 . . . . 92 ALA C . 34013 1 860 . 1 1 78 78 ALA CA C 13 52.911 0.300 . 1 . . . . 92 ALA CA . 34013 1 861 . 1 1 78 78 ALA CB C 13 16.811 0.300 . 1 . . . . 92 ALA CB . 34013 1 862 . 1 1 78 78 ALA N N 15 119.064 0.300 . 1 . . . . 92 ALA N . 34013 1 863 . 1 1 79 79 LEU H H 1 7.199 0.020 . 1 . . . . 93 LEU H . 34013 1 864 . 1 1 79 79 LEU HA H 1 4.789 0.020 . 1 . . . . 93 LEU HA . 34013 1 865 . 1 1 79 79 LEU HB2 H 1 1.556 0.020 . 2 . . . . 93 LEU HB2 . 34013 1 866 . 1 1 79 79 LEU HB3 H 1 1.441 0.020 . 2 . . . . 93 LEU HB3 . 34013 1 867 . 1 1 79 79 LEU HD11 H 1 0.636 0.020 . 1 . . . . 93 LEU HD1 . 34013 1 868 . 1 1 79 79 LEU HD12 H 1 0.636 0.020 . 1 . . . . 93 LEU HD1 . 34013 1 869 . 1 1 79 79 LEU HD13 H 1 0.636 0.020 . 1 . . . . 93 LEU HD1 . 34013 1 870 . 1 1 79 79 LEU HD21 H 1 0.617 0.020 . 1 . . . . 93 LEU HD2 . 34013 1 871 . 1 1 79 79 LEU HD22 H 1 0.617 0.020 . 1 . . . . 93 LEU HD2 . 34013 1 872 . 1 1 79 79 LEU HD23 H 1 0.617 0.020 . 1 . . . . 93 LEU HD2 . 34013 1 873 . 1 1 79 79 LEU C C 13 175.249 0.300 . 1 . . . . 93 LEU C . 34013 1 874 . 1 1 79 79 LEU CA C 13 51.539 0.300 . 1 . . . . 93 LEU CA . 34013 1 875 . 1 1 79 79 LEU CB C 13 40.365 0.300 . 1 . . . . 93 LEU CB . 34013 1 876 . 1 1 79 79 LEU CG C 13 26.106 0.300 . 1 . . . . 93 LEU CG . 34013 1 877 . 1 1 79 79 LEU CD1 C 13 22.608 0.300 . 1 . . . . 93 LEU CD1 . 34013 1 878 . 1 1 79 79 LEU CD2 C 13 22.193 0.300 . 1 . . . . 93 LEU CD2 . 34013 1 879 . 1 1 79 79 LEU N N 15 115.332 0.300 . 1 . . . . 93 LEU N . 34013 1 880 . 1 1 80 80 ALA H H 1 6.918 0.020 . 1 . . . . 94 ALA H . 34013 1 881 . 1 1 80 80 ALA HA H 1 3.768 0.020 . 1 . . . . 94 ALA HA . 34013 1 882 . 1 1 80 80 ALA HB1 H 1 1.312 0.020 . 1 . . . . 94 ALA HB . 34013 1 883 . 1 1 80 80 ALA HB2 H 1 1.312 0.020 . 1 . . . . 94 ALA HB . 34013 1 884 . 1 1 80 80 ALA HB3 H 1 1.312 0.020 . 1 . . . . 94 ALA HB . 34013 1 885 . 1 1 80 80 ALA C C 13 179.890 0.300 . 1 . . . . 94 ALA C . 34013 1 886 . 1 1 80 80 ALA CA C 13 55.090 0.300 . 1 . . . . 94 ALA CA . 34013 1 887 . 1 1 80 80 ALA CB C 13 17.766 0.300 . 1 . . . . 94 ALA CB . 34013 1 888 . 1 1 80 80 ALA N N 15 122.148 0.300 . 1 . . . . 94 ALA N . 34013 1 889 . 1 1 81 81 GLU H H 1 8.568 0.020 . 1 . . . . 95 GLU H . 34013 1 890 . 1 1 81 81 GLU HA H 1 3.798 0.020 . 1 . . . . 95 GLU HA . 34013 1 891 . 1 1 81 81 GLU HB2 H 1 1.683 0.020 . 1 . . . . 95 GLU HB2 . 34013 1 892 . 1 1 81 81 GLU HB3 H 1 1.683 0.020 . 1 . . . . 95 GLU HB3 . 34013 1 893 . 1 1 81 81 GLU HG2 H 1 2.149 0.020 . 1 . . . . 95 GLU HG2 . 34013 1 894 . 1 1 81 81 GLU HG3 H 1 2.149 0.020 . 1 . . . . 95 GLU HG3 . 34013 1 895 . 1 1 81 81 GLU C C 13 177.905 0.300 . 1 . . . . 95 GLU C . 34013 1 896 . 1 1 81 81 GLU CA C 13 58.077 0.300 . 1 . . . . 95 GLU CA . 34013 1 897 . 1 1 81 81 GLU CB C 13 28.039 0.300 . 1 . . . . 95 GLU CB . 34013 1 898 . 1 1 81 81 GLU CG C 13 34.833 0.300 . 1 . . . . 95 GLU CG . 34013 1 899 . 1 1 81 81 GLU N N 15 116.600 0.300 . 1 . . . . 95 GLU N . 34013 1 900 . 1 1 82 82 GLU H H 1 8.336 0.020 . 1 . . . . 96 GLU H . 34013 1 901 . 1 1 82 82 GLU HA H 1 3.765 0.020 . 1 . . . . 96 GLU HA . 34013 1 902 . 1 1 82 82 GLU HB2 H 1 2.175 0.020 . 2 . . . . 96 GLU HB2 . 34013 1 903 . 1 1 82 82 GLU HB3 H 1 1.434 0.020 . 2 . . . . 96 GLU HB3 . 34013 1 904 . 1 1 82 82 GLU HG2 H 1 2.074 0.020 . 2 . . . . 96 GLU HG2 . 34013 1 905 . 1 1 82 82 GLU HG3 H 1 1.944 0.020 . 2 . . . . 96 GLU HG3 . 34013 1 906 . 1 1 82 82 GLU C C 13 178.024 0.300 . 1 . . . . 96 GLU C . 34013 1 907 . 1 1 82 82 GLU CA C 13 60.591 0.300 . 1 . . . . 96 GLU CA . 34013 1 908 . 1 1 82 82 GLU CB C 13 26.884 0.300 . 1 . . . . 96 GLU CB . 34013 1 909 . 1 1 82 82 GLU CG C 13 36.726 0.300 . 1 . . . . 96 GLU CG . 34013 1 910 . 1 1 82 82 GLU N N 15 121.755 0.300 . 1 . . . . 96 GLU N . 34013 1 911 . 1 1 83 83 LEU H H 1 8.466 0.020 . 1 . . . . 97 LEU H . 34013 1 912 . 1 1 83 83 LEU HA H 1 4.238 0.020 . 1 . . . . 97 LEU HA . 34013 1 913 . 1 1 83 83 LEU HB2 H 1 1.462 0.020 . 2 . . . . 97 LEU HB2 . 34013 1 914 . 1 1 83 83 LEU HB3 H 1 1.332 0.020 . 2 . . . . 97 LEU HB3 . 34013 1 915 . 1 1 83 83 LEU HG H 1 1.562 0.020 . 1 . . . . 97 LEU HG . 34013 1 916 . 1 1 83 83 LEU HD11 H 1 0.483 0.020 . 1 . . . . 97 LEU HD1 . 34013 1 917 . 1 1 83 83 LEU HD12 H 1 0.483 0.020 . 1 . . . . 97 LEU HD1 . 34013 1 918 . 1 1 83 83 LEU HD13 H 1 0.483 0.020 . 1 . . . . 97 LEU HD1 . 34013 1 919 . 1 1 83 83 LEU HD21 H 1 0.490 0.020 . 1 . . . . 97 LEU HD2 . 34013 1 920 . 1 1 83 83 LEU HD22 H 1 0.490 0.020 . 1 . . . . 97 LEU HD2 . 34013 1 921 . 1 1 83 83 LEU HD23 H 1 0.490 0.020 . 1 . . . . 97 LEU HD2 . 34013 1 922 . 1 1 83 83 LEU C C 13 176.864 0.300 . 1 . . . . 97 LEU C . 34013 1 923 . 1 1 83 83 LEU CA C 13 55.064 0.300 . 1 . . . . 97 LEU CA . 34013 1 924 . 1 1 83 83 LEU CB C 13 39.790 0.300 . 1 . . . . 97 LEU CB . 34013 1 925 . 1 1 83 83 LEU CG C 13 27.983 0.300 . 1 . . . . 97 LEU CG . 34013 1 926 . 1 1 83 83 LEU CD1 C 13 24.418 0.300 . 1 . . . . 97 LEU CD1 . 34013 1 927 . 1 1 83 83 LEU CD2 C 13 24.835 0.300 . 1 . . . . 97 LEU CD2 . 34013 1 928 . 1 1 83 83 LEU N N 15 118.659 0.300 . 1 . . . . 97 LEU N . 34013 1 929 . 1 1 84 84 GLY H H 1 7.467 0.020 . 1 . . . . 98 GLY H . 34013 1 930 . 1 1 84 84 GLY HA2 H 1 4.080 0.020 . 2 . . . . 98 GLY HA2 . 34013 1 931 . 1 1 84 84 GLY HA3 H 1 3.583 0.020 . 2 . . . . 98 GLY HA3 . 34013 1 932 . 1 1 84 84 GLY C C 13 172.969 0.300 . 1 . . . . 98 GLY C . 34013 1 933 . 1 1 84 84 GLY CA C 13 43.917 0.300 . 1 . . . . 98 GLY CA . 34013 1 934 . 1 1 84 84 GLY N N 15 105.634 0.300 . 1 . . . . 98 GLY N . 34013 1 935 . 1 1 85 85 GLY H H 1 7.057 0.020 . 1 . . . . 99 GLY H . 34013 1 936 . 1 1 85 85 GLY HA2 H 1 3.796 0.020 . 1 . . . . 99 GLY HA2 . 34013 1 937 . 1 1 85 85 GLY HA3 H 1 3.796 0.020 . 1 . . . . 99 GLY HA3 . 34013 1 938 . 1 1 85 85 GLY C C 13 171.768 0.300 . 1 . . . . 99 GLY C . 34013 1 939 . 1 1 85 85 GLY CA C 13 44.220 0.300 . 1 . . . . 99 GLY CA . 34013 1 940 . 1 1 85 85 GLY N N 15 106.934 0.300 . 1 . . . . 99 GLY N . 34013 1 941 . 1 1 86 86 PRO HA H 1 4.242 0.020 . 1 . . . . 100 PRO HA . 34013 1 942 . 1 1 86 86 PRO HB2 H 1 2.299 0.020 . 2 . . . . 100 PRO HB2 . 34013 1 943 . 1 1 86 86 PRO HB3 H 1 1.932 0.020 . 2 . . . . 100 PRO HB3 . 34013 1 944 . 1 1 86 86 PRO HG2 H 1 2.103 0.020 . 1 . . . . 100 PRO HG2 . 34013 1 945 . 1 1 86 86 PRO HG3 H 1 2.103 0.020 . 1 . . . . 100 PRO HG3 . 34013 1 946 . 1 1 86 86 PRO HD2 H 1 4.040 0.020 . 2 . . . . 100 PRO HD2 . 34013 1 947 . 1 1 86 86 PRO HD3 H 1 3.554 0.020 . 2 . . . . 100 PRO HD3 . 34013 1 948 . 1 1 86 86 PRO C C 13 175.554 0.300 . 1 . . . . 100 PRO C . 34013 1 949 . 1 1 86 86 PRO CA C 13 63.576 0.300 . 1 . . . . 100 PRO CA . 34013 1 950 . 1 1 86 86 PRO CB C 13 31.691 0.300 . 1 . . . . 100 PRO CB . 34013 1 951 . 1 1 86 86 PRO CG C 13 26.100 0.300 . 1 . . . . 100 PRO CG . 34013 1 952 . 1 1 86 86 PRO CD C 13 50.502 0.300 . 1 . . . . 100 PRO CD . 34013 1 953 . 1 1 87 87 VAL H H 1 7.773 0.020 . 1 . . . . 101 VAL H . 34013 1 954 . 1 1 87 87 VAL HA H 1 3.887 0.020 . 1 . . . . 101 VAL HA . 34013 1 955 . 1 1 87 87 VAL HB H 1 1.552 0.020 . 1 . . . . 101 VAL HB . 34013 1 956 . 1 1 87 87 VAL HG11 H 1 0.606 0.020 . 1 . . . . 101 VAL HG1 . 34013 1 957 . 1 1 87 87 VAL HG12 H 1 0.606 0.020 . 1 . . . . 101 VAL HG1 . 34013 1 958 . 1 1 87 87 VAL HG13 H 1 0.606 0.020 . 1 . . . . 101 VAL HG1 . 34013 1 959 . 1 1 87 87 VAL HG21 H 1 0.609 0.020 . 1 . . . . 101 VAL HG2 . 34013 1 960 . 1 1 87 87 VAL HG22 H 1 0.609 0.020 . 1 . . . . 101 VAL HG2 . 34013 1 961 . 1 1 87 87 VAL HG23 H 1 0.609 0.020 . 1 . . . . 101 VAL HG2 . 34013 1 962 . 1 1 87 87 VAL C C 13 174.261 0.300 . 1 . . . . 101 VAL C . 34013 1 963 . 1 1 87 87 VAL CA C 13 62.021 0.300 . 1 . . . . 101 VAL CA . 34013 1 964 . 1 1 87 87 VAL CB C 13 30.827 0.300 . 1 . . . . 101 VAL CB . 34013 1 965 . 1 1 87 87 VAL CG1 C 13 22.355 0.300 . 1 . . . . 101 VAL CG1 . 34013 1 966 . 1 1 87 87 VAL CG2 C 13 20.993 0.300 . 1 . . . . 101 VAL CG2 . 34013 1 967 . 1 1 87 87 VAL N N 15 115.198 0.300 . 1 . . . . 101 VAL N . 34013 1 968 . 1 1 88 88 HIS H H 1 9.754 0.020 . 1 . . . . 102 HIS H . 34013 1 969 . 1 1 88 88 HIS HA H 1 4.287 0.020 . 1 . . . . 102 HIS HA . 34013 1 970 . 1 1 88 88 HIS HB2 H 1 2.659 0.020 . 2 . . . . 102 HIS HB2 . 34013 1 971 . 1 1 88 88 HIS HB3 H 1 2.097 0.020 . 2 . . . . 102 HIS HB3 . 34013 1 972 . 1 1 88 88 HIS HD2 H 1 6.809 0.020 . 1 . . . . 102 HIS HD2 . 34013 1 973 . 1 1 88 88 HIS HE1 H 1 7.876 0.020 . 1 . . . . 102 HIS HE1 . 34013 1 974 . 1 1 88 88 HIS C C 13 174.963 0.300 . 1 . . . . 102 HIS C . 34013 1 975 . 1 1 88 88 HIS CA C 13 55.128 0.300 . 1 . . . . 102 HIS CA . 34013 1 976 . 1 1 88 88 HIS CB C 13 30.112 0.300 . 1 . . . . 102 HIS CB . 34013 1 977 . 1 1 88 88 HIS N N 15 127.691 0.300 . 1 . . . . 102 HIS N . 34013 1 978 . 1 1 88 88 HIS ND1 N 15 205.591 0.300 . 1 . . . . 102 HIS ND1 . 34013 1 979 . 1 1 88 88 HIS NE2 N 15 178.301 0.300 . 1 . . . . 102 HIS NE2 . 34013 1 980 . 1 1 89 89 ALA H H 1 7.409 0.020 . 1 . . . . 103 ALA H . 34013 1 981 . 1 1 89 89 ALA HA H 1 4.351 0.020 . 1 . . . . 103 ALA HA . 34013 1 982 . 1 1 89 89 ALA HB1 H 1 1.130 0.020 . 1 . . . . 103 ALA HB . 34013 1 983 . 1 1 89 89 ALA HB2 H 1 1.130 0.020 . 1 . . . . 103 ALA HB . 34013 1 984 . 1 1 89 89 ALA HB3 H 1 1.130 0.020 . 1 . . . . 103 ALA HB . 34013 1 985 . 1 1 89 89 ALA C C 13 173.067 0.300 . 1 . . . . 103 ALA C . 34013 1 986 . 1 1 89 89 ALA CA C 13 51.133 0.300 . 1 . . . . 103 ALA CA . 34013 1 987 . 1 1 89 89 ALA CB C 13 21.733 0.300 . 1 . . . . 103 ALA CB . 34013 1 988 . 1 1 89 89 ALA N N 15 119.219 0.300 . 1 . . . . 103 ALA N . 34013 1 989 . 1 1 90 90 LEU H H 1 8.423 0.020 . 1 . . . . 104 LEU H . 34013 1 990 . 1 1 90 90 LEU HA H 1 4.984 0.020 . 1 . . . . 104 LEU HA . 34013 1 991 . 1 1 90 90 LEU HB2 H 1 1.367 0.020 . 2 . . . . 104 LEU HB2 . 34013 1 992 . 1 1 90 90 LEU HB3 H 1 1.055 0.020 . 2 . . . . 104 LEU HB3 . 34013 1 993 . 1 1 90 90 LEU HG H 1 1.163 0.020 . 1 . . . . 104 LEU HG . 34013 1 994 . 1 1 90 90 LEU HD11 H 1 0.544 0.020 . 1 . . . . 104 LEU HD1 . 34013 1 995 . 1 1 90 90 LEU HD12 H 1 0.544 0.020 . 1 . . . . 104 LEU HD1 . 34013 1 996 . 1 1 90 90 LEU HD13 H 1 0.544 0.020 . 1 . . . . 104 LEU HD1 . 34013 1 997 . 1 1 90 90 LEU HD21 H 1 0.505 0.020 . 1 . . . . 104 LEU HD2 . 34013 1 998 . 1 1 90 90 LEU HD22 H 1 0.505 0.020 . 1 . . . . 104 LEU HD2 . 34013 1 999 . 1 1 90 90 LEU HD23 H 1 0.505 0.020 . 1 . . . . 104 LEU HD2 . 34013 1 1000 . 1 1 90 90 LEU C C 13 173.722 0.300 . 1 . . . . 104 LEU C . 34013 1 1001 . 1 1 90 90 LEU CA C 13 51.730 0.300 . 1 . . . . 104 LEU CA . 34013 1 1002 . 1 1 90 90 LEU CB C 13 44.606 0.300 . 1 . . . . 104 LEU CB . 34013 1 1003 . 1 1 90 90 LEU CG C 13 25.484 0.300 . 1 . . . . 104 LEU CG . 34013 1 1004 . 1 1 90 90 LEU CD1 C 13 25.899 0.300 . 1 . . . . 104 LEU CD1 . 34013 1 1005 . 1 1 90 90 LEU CD2 C 13 24.190 0.300 . 1 . . . . 104 LEU CD2 . 34013 1 1006 . 1 1 90 90 LEU N N 15 121.313 0.300 . 1 . . . . 104 LEU N . 34013 1 1007 . 1 1 91 91 ALA H H 1 8.515 0.020 . 1 . . . . 105 ALA H . 34013 1 1008 . 1 1 91 91 ALA HA H 1 4.658 0.020 . 1 . . . . 105 ALA HA . 34013 1 1009 . 1 1 91 91 ALA HB1 H 1 1.254 0.020 . 1 . . . . 105 ALA HB . 34013 1 1010 . 1 1 91 91 ALA HB2 H 1 1.254 0.020 . 1 . . . . 105 ALA HB . 34013 1 1011 . 1 1 91 91 ALA HB3 H 1 1.254 0.020 . 1 . . . . 105 ALA HB . 34013 1 1012 . 1 1 91 91 ALA C C 13 175.445 0.300 . 1 . . . . 105 ALA C . 34013 1 1013 . 1 1 91 91 ALA CA C 13 50.114 0.300 . 1 . . . . 105 ALA CA . 34013 1 1014 . 1 1 91 91 ALA CB C 13 18.469 0.300 . 1 . . . . 105 ALA CB . 34013 1 1015 . 1 1 91 91 ALA N N 15 130.665 0.300 . 1 . . . . 105 ALA N . 34013 1 1016 . 1 1 92 92 ILE H H 1 8.556 0.020 . 1 . . . . 106 ILE H . 34013 1 1017 . 1 1 92 92 ILE HA H 1 4.517 0.020 . 1 . . . . 106 ILE HA . 34013 1 1018 . 1 1 92 92 ILE HB H 1 0.877 0.020 . 1 . . . . 106 ILE HB . 34013 1 1019 . 1 1 92 92 ILE HG12 H 1 1.329 0.020 . 2 . . . . 106 ILE HG12 . 34013 1 1020 . 1 1 92 92 ILE HG13 H 1 0.318 0.020 . 2 . . . . 106 ILE HG13 . 34013 1 1021 . 1 1 92 92 ILE HG21 H 1 0.349 0.020 . 1 . . . . 106 ILE HG2 . 34013 1 1022 . 1 1 92 92 ILE HG22 H 1 0.349 0.020 . 1 . . . . 106 ILE HG2 . 34013 1 1023 . 1 1 92 92 ILE HG23 H 1 0.349 0.020 . 1 . . . . 106 ILE HG2 . 34013 1 1024 . 1 1 92 92 ILE HD11 H 1 0.520 0.020 . 1 . . . . 106 ILE HD1 . 34013 1 1025 . 1 1 92 92 ILE HD12 H 1 0.520 0.020 . 1 . . . . 106 ILE HD1 . 34013 1 1026 . 1 1 92 92 ILE HD13 H 1 0.520 0.020 . 1 . . . . 106 ILE HD1 . 34013 1 1027 . 1 1 92 92 ILE C C 13 174.022 0.300 . 1 . . . . 106 ILE C . 34013 1 1028 . 1 1 92 92 ILE CA C 13 59.641 0.300 . 1 . . . . 106 ILE CA . 34013 1 1029 . 1 1 92 92 ILE CB C 13 40.240 0.300 . 1 . . . . 106 ILE CB . 34013 1 1030 . 1 1 92 92 ILE CG1 C 13 26.701 0.300 . 1 . . . . 106 ILE CG1 . 34013 1 1031 . 1 1 92 92 ILE CG2 C 13 16.724 0.300 . 1 . . . . 106 ILE CG2 . 34013 1 1032 . 1 1 92 92 ILE CD1 C 13 13.594 0.300 . 1 . . . . 106 ILE CD1 . 34013 1 1033 . 1 1 92 92 ILE N N 15 122.850 0.300 . 1 . . . . 106 ILE N . 34013 1 1034 . 1 1 93 93 GLN H H 1 8.714 0.020 . 1 . . . . 107 GLN H . 34013 1 1035 . 1 1 93 93 GLN HA H 1 4.554 0.020 . 1 . . . . 107 GLN HA . 34013 1 1036 . 1 1 93 93 GLN HB2 H 1 1.873 0.020 . 1 . . . . 107 GLN HB2 . 34013 1 1037 . 1 1 93 93 GLN HB3 H 1 1.873 0.020 . 1 . . . . 107 GLN HB3 . 34013 1 1038 . 1 1 93 93 GLN HG2 H 1 2.028 0.020 . 1 . . . . 107 GLN HG2 . 34013 1 1039 . 1 1 93 93 GLN HG3 H 1 2.028 0.020 . 1 . . . . 107 GLN HG3 . 34013 1 1040 . 1 1 93 93 GLN C C 13 172.481 0.300 . 1 . . . . 107 GLN C . 34013 1 1041 . 1 1 93 93 GLN CA C 13 54.095 0.300 . 1 . . . . 107 GLN CA . 34013 1 1042 . 1 1 93 93 GLN CB C 13 29.636 0.300 . 1 . . . . 107 GLN CB . 34013 1 1043 . 1 1 93 93 GLN CG C 13 35.460 0.300 . 1 . . . . 107 GLN CG . 34013 1 1044 . 1 1 93 93 GLN N N 15 127.476 0.300 . 1 . . . . 107 GLN N . 34013 1 1045 . 1 1 94 94 ALA H H 1 9.147 0.020 . 1 . . . . 108 ALA H . 34013 1 1046 . 1 1 94 94 ALA HA H 1 5.080 0.020 . 1 . . . . 108 ALA HA . 34013 1 1047 . 1 1 94 94 ALA HB1 H 1 0.319 0.020 . 1 . . . . 108 ALA HB . 34013 1 1048 . 1 1 94 94 ALA HB2 H 1 0.319 0.020 . 1 . . . . 108 ALA HB . 34013 1 1049 . 1 1 94 94 ALA HB3 H 1 0.319 0.020 . 1 . . . . 108 ALA HB . 34013 1 1050 . 1 1 94 94 ALA C C 13 175.433 0.300 . 1 . . . . 108 ALA C . 34013 1 1051 . 1 1 94 94 ALA CA C 13 49.350 0.300 . 1 . . . . 108 ALA CA . 34013 1 1052 . 1 1 94 94 ALA CB C 13 19.027 0.300 . 1 . . . . 108 ALA CB . 34013 1 1053 . 1 1 94 94 ALA N N 15 129.743 0.300 . 1 . . . . 108 ALA N . 34013 1 1054 . 1 1 95 95 ARG H H 1 8.813 0.020 . 1 . . . . 109 ARG H . 34013 1 1055 . 1 1 95 95 ARG HA H 1 4.984 0.020 . 1 . . . . 109 ARG HA . 34013 1 1056 . 1 1 95 95 ARG HB2 H 1 2.056 0.020 . 2 . . . . 109 ARG HB2 . 34013 1 1057 . 1 1 95 95 ARG HB3 H 1 1.642 0.020 . 2 . . . . 109 ARG HB3 . 34013 1 1058 . 1 1 95 95 ARG HG2 H 1 1.728 0.020 . 1 . . . . 109 ARG HG2 . 34013 1 1059 . 1 1 95 95 ARG HG3 H 1 1.728 0.020 . 1 . . . . 109 ARG HG3 . 34013 1 1060 . 1 1 95 95 ARG HD2 H 1 3.119 0.020 . 2 . . . . 109 ARG HD2 . 34013 1 1061 . 1 1 95 95 ARG HD3 H 1 3.010 0.020 . 2 . . . . 109 ARG HD3 . 34013 1 1062 . 1 1 95 95 ARG C C 13 174.377 0.300 . 1 . . . . 109 ARG C . 34013 1 1063 . 1 1 95 95 ARG CA C 13 52.526 0.300 . 1 . . . . 109 ARG CA . 34013 1 1064 . 1 1 95 95 ARG CB C 13 34.055 0.300 . 1 . . . . 109 ARG CB . 34013 1 1065 . 1 1 95 95 ARG CG C 13 26.087 0.300 . 1 . . . . 109 ARG CG . 34013 1 1066 . 1 1 95 95 ARG CD C 13 41.725 0.300 . 1 . . . . 109 ARG CD . 34013 1 1067 . 1 1 95 95 ARG N N 15 123.798 0.300 . 1 . . . . 109 ARG N . 34013 1 1068 . 1 1 96 96 THR H H 1 9.109 0.020 . 1 . . . . 110 THR H . 34013 1 1069 . 1 1 96 96 THR HA H 1 4.789 0.020 . 1 . . . . 110 THR HA . 34013 1 1070 . 1 1 96 96 THR HB H 1 4.775 0.020 . 1 . . . . 110 THR HB . 34013 1 1071 . 1 1 96 96 THR HG21 H 1 1.252 0.020 . 1 . . . . 110 THR HG2 . 34013 1 1072 . 1 1 96 96 THR HG22 H 1 1.252 0.020 . 1 . . . . 110 THR HG2 . 34013 1 1073 . 1 1 96 96 THR HG23 H 1 1.252 0.020 . 1 . . . . 110 THR HG2 . 34013 1 1074 . 1 1 96 96 THR C C 13 173.431 0.300 . 1 . . . . 110 THR C . 34013 1 1075 . 1 1 96 96 THR CA C 13 58.872 0.300 . 1 . . . . 110 THR CA . 34013 1 1076 . 1 1 96 96 THR CB C 13 66.689 0.300 . 1 . . . . 110 THR CB . 34013 1 1077 . 1 1 96 96 THR CG2 C 13 21.104 0.300 . 1 . . . . 110 THR CG2 . 34013 1 1078 . 1 1 96 96 THR N N 15 112.445 0.300 . 1 . . . . 110 THR N . 34013 1 1079 . 1 1 97 97 PRO HA H 1 4.017 0.020 . 1 . . . . 111 PRO HA . 34013 1 1080 . 1 1 97 97 PRO HB2 H 1 2.429 0.020 . 1 . . . . 111 PRO HB2 . 34013 1 1081 . 1 1 97 97 PRO HB3 H 1 2.429 0.020 . 1 . . . . 111 PRO HB3 . 34013 1 1082 . 1 1 97 97 PRO HG2 H 1 2.146 0.020 . 1 . . . . 111 PRO HG2 . 34013 1 1083 . 1 1 97 97 PRO HG3 H 1 2.146 0.020 . 1 . . . . 111 PRO HG3 . 34013 1 1084 . 1 1 97 97 PRO HD2 H 1 3.916 0.020 . 2 . . . . 111 PRO HD2 . 34013 1 1085 . 1 1 97 97 PRO HD3 H 1 3.353 0.020 . 2 . . . . 111 PRO HD3 . 34013 1 1086 . 1 1 97 97 PRO C C 13 177.445 0.300 . 1 . . . . 111 PRO C . 34013 1 1087 . 1 1 97 97 PRO CA C 13 65.409 0.300 . 1 . . . . 111 PRO CA . 34013 1 1088 . 1 1 97 97 PRO CB C 13 30.692 0.300 . 1 . . . . 111 PRO CB . 34013 1 1089 . 1 1 97 97 PRO CG C 13 27.305 0.300 . 1 . . . . 111 PRO CG . 34013 1 1090 . 1 1 97 97 PRO CD C 13 48.603 0.300 . 1 . . . . 111 PRO CD . 34013 1 1091 . 1 1 98 98 ALA H H 1 8.472 0.020 . 1 . . . . 112 ALA H . 34013 1 1092 . 1 1 98 98 ALA HA H 1 3.961 0.020 . 1 . . . . 112 ALA HA . 34013 1 1093 . 1 1 98 98 ALA HB1 H 1 1.306 0.020 . 1 . . . . 112 ALA HB . 34013 1 1094 . 1 1 98 98 ALA HB2 H 1 1.306 0.020 . 1 . . . . 112 ALA HB . 34013 1 1095 . 1 1 98 98 ALA HB3 H 1 1.306 0.020 . 1 . . . . 112 ALA HB . 34013 1 1096 . 1 1 98 98 ALA C C 13 179.749 0.300 . 1 . . . . 112 ALA C . 34013 1 1097 . 1 1 98 98 ALA CA C 13 54.399 0.300 . 1 . . . . 112 ALA CA . 34013 1 1098 . 1 1 98 98 ALA CB C 13 17.308 0.300 . 1 . . . . 112 ALA CB . 34013 1 1099 . 1 1 98 98 ALA N N 15 118.756 0.300 . 1 . . . . 112 ALA N . 34013 1 1100 . 1 1 99 99 GLN H H 1 7.719 0.020 . 1 . . . . 113 GLN H . 34013 1 1101 . 1 1 99 99 GLN HA H 1 4.631 0.020 . 1 . . . . 113 GLN HA . 34013 1 1102 . 1 1 99 99 GLN HB2 H 1 2.327 0.020 . 1 . . . . 113 GLN HB2 . 34013 1 1103 . 1 1 99 99 GLN HB3 H 1 2.327 0.020 . 1 . . . . 113 GLN HB3 . 34013 1 1104 . 1 1 99 99 GLN HG2 H 1 2.195 0.020 . 1 . . . . 113 GLN HG2 . 34013 1 1105 . 1 1 99 99 GLN HG3 H 1 2.195 0.020 . 1 . . . . 113 GLN HG3 . 34013 1 1106 . 1 1 99 99 GLN C C 13 178.148 0.300 . 1 . . . . 113 GLN C . 34013 1 1107 . 1 1 99 99 GLN CA C 13 57.631 0.300 . 1 . . . . 113 GLN CA . 34013 1 1108 . 1 1 99 99 GLN CB C 13 29.408 0.300 . 1 . . . . 113 GLN CB . 34013 1 1109 . 1 1 99 99 GLN CG C 13 32.418 0.300 . 1 . . . . 113 GLN CG . 34013 1 1110 . 1 1 99 99 GLN N N 15 116.999 0.300 . 1 . . . . 113 GLN N . 34013 1 1111 . 1 1 100 100 TRP H H 1 8.393 0.020 . 1 . . . . 114 TRP H . 34013 1 1112 . 1 1 100 100 TRP HA H 1 4.302 0.020 . 1 . . . . 114 TRP HA . 34013 1 1113 . 1 1 100 100 TRP HB2 H 1 3.284 0.020 . 2 . . . . 114 TRP HB2 . 34013 1 1114 . 1 1 100 100 TRP HB3 H 1 2.914 0.020 . 2 . . . . 114 TRP HB3 . 34013 1 1115 . 1 1 100 100 TRP HD1 H 1 7.060 0.020 . 1 . . . . 114 TRP HD1 . 34013 1 1116 . 1 1 100 100 TRP HE1 H 1 10.159 0.020 . 1 . . . . 114 TRP HE1 . 34013 1 1117 . 1 1 100 100 TRP HE3 H 1 7.934 0.020 . 1 . . . . 114 TRP HE3 . 34013 1 1118 . 1 1 100 100 TRP HZ2 H 1 7.310 0.020 . 1 . . . . 114 TRP HZ2 . 34013 1 1119 . 1 1 100 100 TRP HZ3 H 1 6.810 0.020 . 1 . . . . 114 TRP HZ3 . 34013 1 1120 . 1 1 100 100 TRP HH2 H 1 6.960 0.020 . 1 . . . . 114 TRP HH2 . 34013 1 1121 . 1 1 100 100 TRP C C 13 176.385 0.300 . 1 . . . . 114 TRP C . 34013 1 1122 . 1 1 100 100 TRP CA C 13 58.041 0.300 . 1 . . . . 114 TRP CA . 34013 1 1123 . 1 1 100 100 TRP CB C 13 29.546 0.300 . 1 . . . . 114 TRP CB . 34013 1 1124 . 1 1 100 100 TRP N N 15 121.072 0.300 . 1 . . . . 114 TRP N . 34013 1 1125 . 1 1 100 100 TRP NE1 N 15 129.348 0.300 . 1 . . . . 114 TRP NE1 . 34013 1 1126 . 1 1 101 101 ARG H H 1 7.919 0.020 . 1 . . . . 115 ARG H . 34013 1 1127 . 1 1 101 101 ARG HA H 1 3.739 0.020 . 1 . . . . 115 ARG HA . 34013 1 1128 . 1 1 101 101 ARG HB2 H 1 1.733 0.020 . 1 . . . . 115 ARG HB2 . 34013 1 1129 . 1 1 101 101 ARG HB3 H 1 1.733 0.020 . 1 . . . . 115 ARG HB3 . 34013 1 1130 . 1 1 101 101 ARG HG2 H 1 1.733 0.020 . 2 . . . . 115 ARG HG2 . 34013 1 1131 . 1 1 101 101 ARG HG3 H 1 1.473 0.020 . 2 . . . . 115 ARG HG3 . 34013 1 1132 . 1 1 101 101 ARG HD2 H 1 3.115 0.020 . 2 . . . . 115 ARG HD2 . 34013 1 1133 . 1 1 101 101 ARG HD3 H 1 3.047 0.020 . 2 . . . . 115 ARG HD3 . 34013 1 1134 . 1 1 101 101 ARG C C 13 176.964 0.300 . 1 . . . . 115 ARG C . 34013 1 1135 . 1 1 101 101 ARG CA C 13 57.270 0.300 . 1 . . . . 115 ARG CA . 34013 1 1136 . 1 1 101 101 ARG CB C 13 29.236 0.300 . 1 . . . . 115 ARG CB . 34013 1 1137 . 1 1 101 101 ARG CG C 13 26.484 0.300 . 1 . . . . 115 ARG CG . 34013 1 1138 . 1 1 101 101 ARG CD C 13 42.323 0.300 . 1 . . . . 115 ARG CD . 34013 1 1139 . 1 1 101 101 ARG N N 15 116.773 0.300 . 1 . . . . 115 ARG N . 34013 1 1140 . 1 1 102 102 GLU H H 1 7.453 0.020 . 1 . . . . 116 GLU H . 34013 1 1141 . 1 1 102 102 GLU HA H 1 3.962 0.020 . 1 . . . . 116 GLU HA . 34013 1 1142 . 1 1 102 102 GLU HB2 H 1 1.936 0.020 . 1 . . . . 116 GLU HB2 . 34013 1 1143 . 1 1 102 102 GLU HB3 H 1 1.936 0.020 . 1 . . . . 116 GLU HB3 . 34013 1 1144 . 1 1 102 102 GLU HG2 H 1 2.148 0.020 . 1 . . . . 116 GLU HG2 . 34013 1 1145 . 1 1 102 102 GLU HG3 H 1 2.148 0.020 . 1 . . . . 116 GLU HG3 . 34013 1 1146 . 1 1 102 102 GLU C C 13 175.899 0.300 . 1 . . . . 116 GLU C . 34013 1 1147 . 1 1 102 102 GLU CA C 13 56.673 0.300 . 1 . . . . 116 GLU CA . 34013 1 1148 . 1 1 102 102 GLU CB C 13 28.768 0.300 . 1 . . . . 116 GLU CB . 34013 1 1149 . 1 1 102 102 GLU CG C 13 34.837 0.300 . 1 . . . . 116 GLU CG . 34013 1 1150 . 1 1 102 102 GLU N N 15 117.776 0.300 . 1 . . . . 116 GLU N . 34013 1 1151 . 1 1 103 103 ASN H H 1 7.746 0.020 . 1 . . . . 117 ASN H . 34013 1 1152 . 1 1 103 103 ASN HA H 1 4.391 0.020 . 1 . . . . 117 ASN HA . 34013 1 1153 . 1 1 103 103 ASN HB2 H 1 2.655 0.020 . 2 . . . . 117 ASN HB2 . 34013 1 1154 . 1 1 103 103 ASN HB3 H 1 2.509 0.020 . 2 . . . . 117 ASN HB3 . 34013 1 1155 . 1 1 103 103 ASN HD21 H 1 7.336 0.020 . 1 . . . . 117 ASN HD21 . 34013 1 1156 . 1 1 103 103 ASN HD22 H 1 6.712 0.020 . 1 . . . . 117 ASN HD22 . 34013 1 1157 . 1 1 103 103 ASN C C 13 173.658 0.300 . 1 . . . . 117 ASN C . 34013 1 1158 . 1 1 103 103 ASN CA C 13 52.736 0.300 . 1 . . . . 117 ASN CA . 34013 1 1159 . 1 1 103 103 ASN CB C 13 37.896 0.300 . 1 . . . . 117 ASN CB . 34013 1 1160 . 1 1 103 103 ASN N N 15 116.747 0.300 . 1 . . . . 117 ASN N . 34013 1 1161 . 1 1 103 103 ASN ND2 N 15 111.657 0.300 . 1 . . . . 117 ASN ND2 . 34013 1 1162 . 1 1 104 104 SER H H 1 7.986 0.020 . 1 . . . . 118 SER H . 34013 1 1163 . 1 1 104 104 SER HA H 1 3.722 0.020 . 1 . . . . 118 SER HA . 34013 1 1164 . 1 1 104 104 SER HB2 H 1 3.318 0.020 . 2 . . . . 118 SER HB2 . 34013 1 1165 . 1 1 104 104 SER HB3 H 1 3.213 0.020 . 2 . . . . 118 SER HB3 . 34013 1 1166 . 1 1 104 104 SER C C 13 173.562 0.300 . 1 . . . . 118 SER C . 34013 1 1167 . 1 1 104 104 SER CA C 13 56.849 0.300 . 1 . . . . 118 SER CA . 34013 1 1168 . 1 1 104 104 SER CB C 13 61.758 0.300 . 1 . . . . 118 SER CB . 34013 1 1169 . 1 1 104 104 SER N N 15 116.427 0.300 . 1 . . . . 118 SER N . 34013 1 1170 . 1 1 105 105 GLN H H 1 7.860 0.020 . 1 . . . . 119 GLN H . 34013 1 1171 . 1 1 105 105 GLN HA H 1 4.107 0.020 . 1 . . . . 119 GLN HA . 34013 1 1172 . 1 1 105 105 GLN HB2 H 1 1.863 0.020 . 1 . . . . 119 GLN HB2 . 34013 1 1173 . 1 1 105 105 GLN HB3 H 1 1.863 0.020 . 1 . . . . 119 GLN HB3 . 34013 1 1174 . 1 1 105 105 GLN HG2 H 1 2.270 0.020 . 2 . . . . 119 GLN HG2 . 34013 1 1175 . 1 1 105 105 GLN HG3 H 1 2.186 0.020 . 2 . . . . 119 GLN HG3 . 34013 1 1176 . 1 1 105 105 GLN HE21 H 1 7.391 0.020 . 1 . . . . 119 GLN HE21 . 34013 1 1177 . 1 1 105 105 GLN HE22 H 1 6.703 0.020 . 1 . . . . 119 GLN HE22 . 34013 1 1178 . 1 1 105 105 GLN C C 13 175.022 0.300 . 1 . . . . 119 GLN C . 34013 1 1179 . 1 1 105 105 GLN CA C 13 54.787 0.300 . 1 . . . . 119 GLN CA . 34013 1 1180 . 1 1 105 105 GLN CB C 13 28.046 0.300 . 1 . . . . 119 GLN CB . 34013 1 1181 . 1 1 105 105 GLN CG C 13 32.341 0.300 . 1 . . . . 119 GLN CG . 34013 1 1182 . 1 1 105 105 GLN N N 15 120.572 0.300 . 1 . . . . 119 GLN N . 34013 1 1183 . 1 1 105 105 GLN NE2 N 15 112.341 0.300 . 1 . . . . 119 GLN NE2 . 34013 1 1184 . 1 1 106 106 LEU H H 1 8.146 0.020 . 1 . . . . 120 LEU H . 34013 1 1185 . 1 1 106 106 LEU HA H 1 4.264 0.020 . 1 . . . . 120 LEU HA . 34013 1 1186 . 1 1 106 106 LEU HB2 H 1 1.554 0.020 . 2 . . . . 120 LEU HB2 . 34013 1 1187 . 1 1 106 106 LEU HB3 H 1 1.453 0.020 . 2 . . . . 120 LEU HB3 . 34013 1 1188 . 1 1 106 106 LEU HG H 1 1.525 0.020 . 1 . . . . 120 LEU HG . 34013 1 1189 . 1 1 106 106 LEU HD11 H 1 0.808 0.020 . 1 . . . . 120 LEU HD1 . 34013 1 1190 . 1 1 106 106 LEU HD12 H 1 0.808 0.020 . 1 . . . . 120 LEU HD1 . 34013 1 1191 . 1 1 106 106 LEU HD13 H 1 0.808 0.020 . 1 . . . . 120 LEU HD1 . 34013 1 1192 . 1 1 106 106 LEU HD21 H 1 0.746 0.020 . 1 . . . . 120 LEU HD2 . 34013 1 1193 . 1 1 106 106 LEU HD22 H 1 0.746 0.020 . 1 . . . . 120 LEU HD2 . 34013 1 1194 . 1 1 106 106 LEU HD23 H 1 0.746 0.020 . 1 . . . . 120 LEU HD2 . 34013 1 1195 . 1 1 106 106 LEU C C 13 176.022 0.300 . 1 . . . . 120 LEU C . 34013 1 1196 . 1 1 106 106 LEU CA C 13 54.009 0.300 . 1 . . . . 120 LEU CA . 34013 1 1197 . 1 1 106 106 LEU CB C 13 41.436 0.300 . 1 . . . . 120 LEU CB . 34013 1 1198 . 1 1 106 106 LEU CG C 13 25.464 0.300 . 1 . . . . 120 LEU CG . 34013 1 1199 . 1 1 106 106 LEU CD1 C 13 23.617 0.300 . 1 . . . . 120 LEU CD1 . 34013 1 1200 . 1 1 106 106 LEU CD2 C 13 22.338 0.300 . 1 . . . . 120 LEU CD2 . 34013 1 1201 . 1 1 106 106 LEU N N 15 123.345 0.300 . 1 . . . . 120 LEU N . 34013 1 1202 . 1 1 107 107 ASP H H 1 8.348 0.020 . 1 . . . . 121 ASP H . 34013 1 1203 . 1 1 107 107 ASP HA H 1 4.505 0.020 . 1 . . . . 121 ASP HA . 34013 1 1204 . 1 1 107 107 ASP HB2 H 1 2.607 0.020 . 2 . . . . 121 ASP HB2 . 34013 1 1205 . 1 1 107 107 ASP HB3 H 1 2.507 0.020 . 2 . . . . 121 ASP HB3 . 34013 1 1206 . 1 1 107 107 ASP C C 13 175.439 0.300 . 1 . . . . 121 ASP C . 34013 1 1207 . 1 1 107 107 ASP CA C 13 53.333 0.300 . 1 . . . . 121 ASP CA . 34013 1 1208 . 1 1 107 107 ASP CB C 13 40.029 0.300 . 1 . . . . 121 ASP CB . 34013 1 1209 . 1 1 107 107 ASP N N 15 121.556 0.300 . 1 . . . . 121 ASP N . 34013 1 1210 . 1 1 108 108 THR H H 1 7.997 0.020 . 1 . . . . 122 THR H . 34013 1 1211 . 1 1 108 108 THR HA H 1 4.200 0.020 . 1 . . . . 122 THR HA . 34013 1 1212 . 1 1 108 108 THR HB H 1 4.147 0.020 . 1 . . . . 122 THR HB . 34013 1 1213 . 1 1 108 108 THR HG21 H 1 1.089 0.020 . 1 . . . . 122 THR HG2 . 34013 1 1214 . 1 1 108 108 THR HG22 H 1 1.089 0.020 . 1 . . . . 122 THR HG2 . 34013 1 1215 . 1 1 108 108 THR HG23 H 1 1.089 0.020 . 1 . . . . 122 THR HG2 . 34013 1 1216 . 1 1 108 108 THR C C 13 173.595 0.300 . 1 . . . . 122 THR C . 34013 1 1217 . 1 1 108 108 THR CA C 13 60.451 0.300 . 1 . . . . 122 THR CA . 34013 1 1218 . 1 1 108 108 THR CB C 13 68.313 0.300 . 1 . . . . 122 THR CB . 34013 1 1219 . 1 1 108 108 THR CG2 C 13 20.477 0.300 . 1 . . . . 122 THR CG2 . 34013 1 1220 . 1 1 108 108 THR N N 15 113.351 0.300 . 1 . . . . 122 THR N . 34013 1 1221 . 1 1 109 109 SER H H 1 8.209 0.020 . 1 . . . . 123 SER H . 34013 1 1222 . 1 1 109 109 SER HA H 1 4.590 0.020 . 1 . . . . 123 SER HA . 34013 1 1223 . 1 1 109 109 SER HB2 H 1 3.678 0.020 . 1 . . . . 123 SER HB2 . 34013 1 1224 . 1 1 109 109 SER HB3 H 1 3.678 0.020 . 1 . . . . 123 SER HB3 . 34013 1 1225 . 1 1 109 109 SER C C 13 170.899 0.300 . 1 . . . . 123 SER C . 34013 1 1226 . 1 1 109 109 SER CA C 13 55.910 0.300 . 1 . . . . 123 SER CA . 34013 1 1227 . 1 1 109 109 SER CB C 13 62.004 0.300 . 1 . . . . 123 SER CB . 34013 1 1228 . 1 1 109 109 SER N N 15 119.459 0.300 . 1 . . . . 123 SER N . 34013 1 1229 . 1 1 111 111 PRO HA H 1 4.286 0.020 . 1 . . . . 125 PRO HA . 34013 1 1230 . 1 1 111 111 PRO HB2 H 1 2.137 0.020 . 2 . . . . 125 PRO HB2 . 34013 1 1231 . 1 1 111 111 PRO HB3 H 1 1.736 0.020 . 2 . . . . 125 PRO HB3 . 34013 1 1232 . 1 1 111 111 PRO HG2 H 1 1.907 0.020 . 1 . . . . 125 PRO HG2 . 34013 1 1233 . 1 1 111 111 PRO HG3 H 1 1.907 0.020 . 1 . . . . 125 PRO HG3 . 34013 1 1234 . 1 1 111 111 PRO HD2 H 1 3.694 0.020 . 2 . . . . 125 PRO HD2 . 34013 1 1235 . 1 1 111 111 PRO HD3 H 1 3.552 0.020 . 2 . . . . 125 PRO HD3 . 34013 1 1236 . 1 1 111 111 PRO C C 13 175.629 0.300 . 1 . . . . 125 PRO C . 34013 1 1237 . 1 1 111 111 PRO CA C 13 62.057 0.300 . 1 . . . . 125 PRO CA . 34013 1 1238 . 1 1 111 111 PRO CB C 13 30.865 0.300 . 1 . . . . 125 PRO CB . 34013 1 1239 . 1 1 111 111 PRO CG C 13 26.103 0.300 . 1 . . . . 125 PRO CG . 34013 1 1240 . 1 1 111 111 PRO CD C 13 49.206 0.300 . 1 . . . . 125 PRO CD . 34013 1 1241 . 1 1 112 112 CYS H H 1 8.365 0.020 . 1 . . . . 126 CYS H . 34013 1 1242 . 1 1 112 112 CYS HA H 1 4.362 0.020 . 1 . . . . 126 CYS HA . 34013 1 1243 . 1 1 112 112 CYS HB2 H 1 2.745 0.020 . 1 . . . . 126 CYS HB2 . 34013 1 1244 . 1 1 112 112 CYS HB3 H 1 2.745 0.020 . 1 . . . . 126 CYS HB3 . 34013 1 1245 . 1 1 112 112 CYS C C 13 173.792 0.300 . 1 . . . . 126 CYS C . 34013 1 1246 . 1 1 112 112 CYS CA C 13 57.275 0.300 . 1 . . . . 126 CYS CA . 34013 1 1247 . 1 1 112 112 CYS CB C 13 26.700 0.300 . 1 . . . . 126 CYS CB . 34013 1 1248 . 1 1 112 112 CYS N N 15 119.277 0.300 . 1 . . . . 126 CYS N . 34013 1 1249 . 1 1 113 113 LEU H H 1 8.368 0.020 . 1 . . . . 127 LEU H . 34013 1 1250 . 1 1 113 113 LEU HA H 1 4.235 0.020 . 1 . . . . 127 LEU HA . 34013 1 1251 . 1 1 113 113 LEU HB2 H 1 1.487 0.020 . 1 . . . . 127 LEU HB2 . 34013 1 1252 . 1 1 113 113 LEU HB3 H 1 1.487 0.020 . 1 . . . . 127 LEU HB3 . 34013 1 1253 . 1 1 113 113 LEU HG H 1 1.525 0.020 . 1 . . . . 127 LEU HG . 34013 1 1254 . 1 1 113 113 LEU HD11 H 1 0.808 0.020 . 1 . . . . 127 LEU HD1 . 34013 1 1255 . 1 1 113 113 LEU HD12 H 1 0.808 0.020 . 1 . . . . 127 LEU HD1 . 34013 1 1256 . 1 1 113 113 LEU HD13 H 1 0.808 0.020 . 1 . . . . 127 LEU HD1 . 34013 1 1257 . 1 1 113 113 LEU HD21 H 1 0.740 0.020 . 1 . . . . 127 LEU HD2 . 34013 1 1258 . 1 1 113 113 LEU HD22 H 1 0.740 0.020 . 1 . . . . 127 LEU HD2 . 34013 1 1259 . 1 1 113 113 LEU HD23 H 1 0.740 0.020 . 1 . . . . 127 LEU HD2 . 34013 1 1260 . 1 1 113 113 LEU C C 13 176.782 0.300 . 1 . . . . 127 LEU C . 34013 1 1261 . 1 1 113 113 LEU CA C 13 54.293 0.300 . 1 . . . . 127 LEU CA . 34013 1 1262 . 1 1 113 113 LEU CB C 13 41.207 0.300 . 1 . . . . 127 LEU CB . 34013 1 1263 . 1 1 113 113 LEU CG C 13 25.464 0.300 . 1 . . . . 127 LEU CG . 34013 1 1264 . 1 1 113 113 LEU CD1 C 13 23.581 0.300 . 1 . . . . 127 LEU CD1 . 34013 1 1265 . 1 1 113 113 LEU CD2 C 13 22.351 0.300 . 1 . . . . 127 LEU CD2 . 34013 1 1266 . 1 1 113 113 LEU N N 15 125.444 0.300 . 1 . . . . 127 LEU N . 34013 1 1267 . 1 1 114 114 GLY H H 1 8.381 0.020 . 1 . . . . 128 GLY H . 34013 1 1268 . 1 1 114 114 GLY HA2 H 1 3.810 0.020 . 1 . . . . 128 GLY HA2 . 34013 1 1269 . 1 1 114 114 GLY HA3 H 1 3.810 0.020 . 1 . . . . 128 GLY HA3 . 34013 1 1270 . 1 1 114 114 GLY C C 13 173.635 0.300 . 1 . . . . 128 GLY C . 34013 1 1271 . 1 1 114 114 GLY CA C 13 44.284 0.300 . 1 . . . . 128 GLY CA . 34013 1 1272 . 1 1 114 114 GLY N N 15 109.598 0.300 . 1 . . . . 128 GLY N . 34013 1 1273 . 1 1 115 115 GLY H H 1 8.174 0.020 . 1 . . . . 129 GLY H . 34013 1 1274 . 1 1 115 115 GLY HA2 H 1 3.810 0.020 . 1 . . . . 129 GLY HA2 . 34013 1 1275 . 1 1 115 115 GLY HA3 H 1 3.810 0.020 . 1 . . . . 129 GLY HA3 . 34013 1 1276 . 1 1 115 115 GLY C C 13 172.969 0.300 . 1 . . . . 129 GLY C . 34013 1 1277 . 1 1 115 115 GLY CA C 13 44.187 0.300 . 1 . . . . 129 GLY CA . 34013 1 1278 . 1 1 115 115 GLY N N 15 108.342 0.300 . 1 . . . . 129 GLY N . 34013 1 1279 . 1 1 116 116 ASN H H 1 8.277 0.020 . 1 . . . . 130 ASN H . 34013 1 1280 . 1 1 116 116 ASN HA H 1 4.550 0.020 . 1 . . . . 130 ASN HA . 34013 1 1281 . 1 1 116 116 ASN HB2 H 1 2.709 0.020 . 2 . . . . 130 ASN HB2 . 34013 1 1282 . 1 1 116 116 ASN HB3 H 1 2.652 0.020 . 2 . . . . 130 ASN HB3 . 34013 1 1283 . 1 1 116 116 ASN HD21 H 1 6.830 0.020 . 1 . . . . 130 ASN HD21 . 34013 1 1284 . 1 1 116 116 ASN HD22 H 1 7.508 0.020 . 1 . . . . 130 ASN HD22 . 34013 1 1285 . 1 1 116 116 ASN C C 13 174.272 0.300 . 1 . . . . 130 ASN C . 34013 1 1286 . 1 1 116 116 ASN CA C 13 52.118 0.300 . 1 . . . . 130 ASN CA . 34013 1 1287 . 1 1 116 116 ASN CB C 13 37.768 0.300 . 1 . . . . 130 ASN CB . 34013 1 1288 . 1 1 116 116 ASN N N 15 118.356 0.300 . 1 . . . . 130 ASN N . 34013 1 1289 . 1 1 116 116 ASN ND2 N 15 112.619 0.300 . 1 . . . . 130 ASN ND2 . 34013 1 1290 . 1 1 117 117 LYS H H 1 8.223 0.020 . 1 . . . . 131 LYS H . 34013 1 1291 . 1 1 117 117 LYS HA H 1 4.144 0.020 . 1 . . . . 131 LYS HA . 34013 1 1292 . 1 1 117 117 LYS HB2 H 1 1.725 0.020 . 2 . . . . 131 LYS HB2 . 34013 1 1293 . 1 1 117 117 LYS HB3 H 1 1.656 0.020 . 2 . . . . 131 LYS HB3 . 34013 1 1294 . 1 1 117 117 LYS HG2 H 1 1.335 0.020 . 2 . . . . 131 LYS HG2 . 34013 1 1295 . 1 1 117 117 LYS HG3 H 1 1.288 0.020 . 2 . . . . 131 LYS HG3 . 34013 1 1296 . 1 1 117 117 LYS HD2 H 1 1.562 0.020 . 1 . . . . 131 LYS HD2 . 34013 1 1297 . 1 1 117 117 LYS HD3 H 1 1.562 0.020 . 1 . . . . 131 LYS HD3 . 34013 1 1298 . 1 1 117 117 LYS HE2 H 1 2.876 0.020 . 1 . . . . 131 LYS HE2 . 34013 1 1299 . 1 1 117 117 LYS HE3 H 1 2.876 0.020 . 1 . . . . 131 LYS HE3 . 34013 1 1300 . 1 1 117 117 LYS C C 13 175.552 0.300 . 1 . . . . 131 LYS C . 34013 1 1301 . 1 1 117 117 LYS CA C 13 55.559 0.300 . 1 . . . . 131 LYS CA . 34013 1 1302 . 1 1 117 117 LYS CB C 13 31.861 0.300 . 1 . . . . 131 LYS CB . 34013 1 1303 . 1 1 117 117 LYS CG C 13 23.601 0.300 . 1 . . . . 131 LYS CG . 34013 1 1304 . 1 1 117 117 LYS CD C 13 27.900 0.300 . 1 . . . . 131 LYS CD . 34013 1 1305 . 1 1 117 117 LYS CE C 13 41.093 0.300 . 1 . . . . 131 LYS CE . 34013 1 1306 . 1 1 117 117 LYS N N 15 121.335 0.300 . 1 . . . . 131 LYS N . 34013 1 1307 . 1 1 118 118 LYS H H 1 8.257 0.020 . 1 . . . . 132 LYS H . 34013 1 1308 . 1 1 118 118 LYS HA H 1 4.216 0.020 . 1 . . . . 132 LYS HA . 34013 1 1309 . 1 1 118 118 LYS HB2 H 1 1.652 0.020 . 1 . . . . 132 LYS HB2 . 34013 1 1310 . 1 1 118 118 LYS HB3 H 1 1.652 0.020 . 1 . . . . 132 LYS HB3 . 34013 1 1311 . 1 1 118 118 LYS HG2 H 1 1.562 0.020 . 1 . . . . 132 LYS HG2 . 34013 1 1312 . 1 1 118 118 LYS HG3 H 1 1.562 0.020 . 1 . . . . 132 LYS HG3 . 34013 1 1313 . 1 1 118 118 LYS HD2 H 1 1.562 0.020 . 1 . . . . 132 LYS HD2 . 34013 1 1314 . 1 1 118 118 LYS HD3 H 1 1.562 0.020 . 1 . . . . 132 LYS HD3 . 34013 1 1315 . 1 1 118 118 LYS HE2 H 1 2.874 0.020 . 1 . . . . 132 LYS HE2 . 34013 1 1316 . 1 1 118 118 LYS HE3 H 1 2.874 0.020 . 1 . . . . 132 LYS HE3 . 34013 1 1317 . 1 1 118 118 LYS C C 13 175.666 0.300 . 1 . . . . 132 LYS C . 34013 1 1318 . 1 1 118 118 LYS CA C 13 55.477 0.300 . 1 . . . . 132 LYS CA . 34013 1 1319 . 1 1 118 118 LYS CB C 13 31.904 0.300 . 1 . . . . 132 LYS CB . 34013 1 1320 . 1 1 118 118 LYS CG C 13 23.594 0.300 . 1 . . . . 132 LYS CG . 34013 1 1321 . 1 1 118 118 LYS CD C 13 27.935 0.300 . 1 . . . . 132 LYS CD . 34013 1 1322 . 1 1 118 118 LYS CE C 13 41.089 0.300 . 1 . . . . 132 LYS CE . 34013 1 1323 . 1 1 118 118 LYS N N 15 122.264 0.300 . 1 . . . . 132 LYS N . 34013 1 1324 . 1 1 119 119 THR H H 1 8.096 0.020 . 1 . . . . 133 THR H . 34013 1 1325 . 1 1 119 119 THR HA H 1 4.176 0.020 . 1 . . . . 133 THR HA . 34013 1 1326 . 1 1 119 119 THR HB H 1 4.074 0.020 . 1 . . . . 133 THR HB . 34013 1 1327 . 1 1 119 119 THR HG21 H 1 1.090 0.020 . 1 . . . . 133 THR HG2 . 34013 1 1328 . 1 1 119 119 THR HG22 H 1 1.090 0.020 . 1 . . . . 133 THR HG2 . 34013 1 1329 . 1 1 119 119 THR HG23 H 1 1.090 0.020 . 1 . . . . 133 THR HG2 . 34013 1 1330 . 1 1 119 119 THR C C 13 173.435 0.300 . 1 . . . . 133 THR C . 34013 1 1331 . 1 1 119 119 THR CA C 13 60.729 0.300 . 1 . . . . 133 THR CA . 34013 1 1332 . 1 1 119 119 THR CB C 13 68.602 0.300 . 1 . . . . 133 THR CB . 34013 1 1333 . 1 1 119 119 THR CG2 C 13 20.781 0.300 . 1 . . . . 133 THR CG2 . 34013 1 1334 . 1 1 119 119 THR N N 15 115.813 0.300 . 1 . . . . 133 THR N . 34013 1 1335 . 1 1 120 120 LEU H H 1 8.258 0.020 . 1 . . . . 134 LEU H . 34013 1 1336 . 1 1 120 120 LEU HA H 1 4.212 0.020 . 1 . . . . 134 LEU HA . 34013 1 1337 . 1 1 120 120 LEU HB2 H 1 1.499 0.020 . 2 . . . . 134 LEU HB2 . 34013 1 1338 . 1 1 120 120 LEU HB3 H 1 1.443 0.020 . 2 . . . . 134 LEU HB3 . 34013 1 1339 . 1 1 120 120 LEU HG H 1 1.510 0.020 . 1 . . . . 134 LEU HG . 34013 1 1340 . 1 1 120 120 LEU HD11 H 1 1.517 0.020 . 1 . . . . 134 LEU HD1 . 34013 1 1341 . 1 1 120 120 LEU HD12 H 1 1.517 0.020 . 1 . . . . 134 LEU HD1 . 34013 1 1342 . 1 1 120 120 LEU HD13 H 1 1.517 0.020 . 1 . . . . 134 LEU HD1 . 34013 1 1343 . 1 1 120 120 LEU HD21 H 1 0.788 0.020 . 1 . . . . 134 LEU HD2 . 34013 1 1344 . 1 1 120 120 LEU HD22 H 1 0.788 0.020 . 1 . . . . 134 LEU HD2 . 34013 1 1345 . 1 1 120 120 LEU HD23 H 1 0.788 0.020 . 1 . . . . 134 LEU HD2 . 34013 1 1346 . 1 1 120 120 LEU C C 13 176.728 0.300 . 1 . . . . 134 LEU C . 34013 1 1347 . 1 1 120 120 LEU CA C 13 54.384 0.300 . 1 . . . . 134 LEU CA . 34013 1 1348 . 1 1 120 120 LEU CB C 13 41.221 0.300 . 1 . . . . 134 LEU CB . 34013 1 1349 . 1 1 120 120 LEU CG C 13 25.479 0.300 . 1 . . . . 134 LEU CG . 34013 1 1350 . 1 1 120 120 LEU CD1 C 13 23.632 0.300 . 1 . . . . 134 LEU CD1 . 34013 1 1351 . 1 1 120 120 LEU CD2 C 13 22.349 0.300 . 1 . . . . 134 LEU CD2 . 34013 1 1352 . 1 1 120 120 LEU N N 15 124.632 0.300 . 1 . . . . 134 LEU N . 34013 1 1353 . 1 1 121 121 GLY H H 1 8.342 0.020 . 1 . . . . 135 GLY H . 34013 1 1354 . 1 1 121 121 GLY HA2 H 1 3.831 0.020 . 1 . . . . 135 GLY HA2 . 34013 1 1355 . 1 1 121 121 GLY HA3 H 1 3.831 0.020 . 1 . . . . 135 GLY HA3 . 34013 1 1356 . 1 1 121 121 GLY C C 13 172.846 0.300 . 1 . . . . 135 GLY C . 34013 1 1357 . 1 1 121 121 GLY CA C 13 44.086 0.300 . 1 . . . . 135 GLY CA . 34013 1 1358 . 1 1 121 121 GLY N N 15 109.662 0.300 . 1 . . . . 135 GLY N . 34013 1 1359 . 1 1 122 122 THR H H 1 7.877 0.020 . 1 . . . . 136 THR H . 34013 1 1360 . 1 1 122 122 THR HA H 1 4.507 0.020 . 1 . . . . 136 THR HA . 34013 1 1361 . 1 1 122 122 THR HB H 1 4.040 0.020 . 1 . . . . 136 THR HB . 34013 1 1362 . 1 1 122 122 THR HG21 H 1 1.139 0.020 . 1 . . . . 136 THR HG2 . 34013 1 1363 . 1 1 122 122 THR HG22 H 1 1.139 0.020 . 1 . . . . 136 THR HG2 . 34013 1 1364 . 1 1 122 122 THR HG23 H 1 1.139 0.020 . 1 . . . . 136 THR HG2 . 34013 1 1365 . 1 1 122 122 THR C C 13 171.187 0.300 . 1 . . . . 136 THR C . 34013 1 1366 . 1 1 122 122 THR CA C 13 58.490 0.300 . 1 . . . . 136 THR CA . 34013 1 1367 . 1 1 122 122 THR CB C 13 68.748 0.300 . 1 . . . . 136 THR CB . 34013 1 1368 . 1 1 122 122 THR CG2 C 13 19.848 0.300 . 1 . . . . 136 THR CG2 . 34013 1 1369 . 1 1 122 122 THR N N 15 115.983 0.300 . 1 . . . . 136 THR N . 34013 1 stop_ save_