data_26031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26031 _Entry.Title ; Solution structure of BOLA3 from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-11 _Entry.Accession_date 2016-04-11 _Entry.Last_release_date 2016-09-02 _Entry.Original_release_date 2016-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Simone Ciofi-Baffoni . . . . 26031 2 Veronica Nasta . . . . 26031 3 Lucia Banci . . . . 26031 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26031 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'class II KH-like fold' . 26031 'mitochondrial protein' . 26031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 26031 '15N chemical shifts' 87 26031 '1H chemical shifts' 602 26031 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-09-02 . original BMRB . 26031 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NCL 'BMRB Entry Tracking System' 26031 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26031 _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 . _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 Marta Uzarska . A. . . 26031 1 2 Veronica Nasta . . . . 26031 1 3 Benjamin Weiler . D. . . 26031 1 4 Farah Spantgar . . . . 26031 1 5 Simone Ciofi-Baffoni . . . . 26031 1 6 Maria Saviello . R. . . 26031 1 7 Leonardo Gonnelli . . . . 26031 1 8 Ulrich Muhlenhoff . . . . 26031 1 9 Lucia Banci . . . . 26031 1 10 Roland Lill . . . . 26031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26031 _Assembly.ID 1 _Assembly.Name 'BOLA3 from Homo sapiens' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 BOLA3 1 $BOLA3 A . yes native no no . . . 26031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BOLA3 _Entity.Sf_category entity _Entity.Sf_framecode BOLA3 _Entity.Entry_ID 26031 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BOLA3 _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 ; ATQTEGELRVTQILKEKFPR ATAIKVTDISGGCGAMYEIK IESEEFKEKRTVQQHQMVNQ ALKEEIKEMHGLRIFTSVPK R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The mitochondrial targeting sequence of 1-26 amino acids was removed from the native protein.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9306.844 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UniProtKB Q53S33 . BOLA3_HUMAN . . . . . . . . . . . . . . 26031 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 27 ALA . 26031 1 2 28 THR . 26031 1 3 29 GLN . 26031 1 4 30 THR . 26031 1 5 31 GLU . 26031 1 6 32 GLY . 26031 1 7 33 GLU . 26031 1 8 34 LEU . 26031 1 9 35 ARG . 26031 1 10 36 VAL . 26031 1 11 37 THR . 26031 1 12 38 GLN . 26031 1 13 39 ILE . 26031 1 14 40 LEU . 26031 1 15 41 LYS . 26031 1 16 42 GLU . 26031 1 17 43 LYS . 26031 1 18 44 PHE . 26031 1 19 45 PRO . 26031 1 20 46 ARG . 26031 1 21 47 ALA . 26031 1 22 48 THR . 26031 1 23 49 ALA . 26031 1 24 50 ILE . 26031 1 25 51 LYS . 26031 1 26 52 VAL . 26031 1 27 53 THR . 26031 1 28 54 ASP . 26031 1 29 55 ILE . 26031 1 30 56 SER . 26031 1 31 57 GLY . 26031 1 32 58 GLY . 26031 1 33 59 CYS . 26031 1 34 60 GLY . 26031 1 35 61 ALA . 26031 1 36 62 MET . 26031 1 37 63 TYR . 26031 1 38 64 GLU . 26031 1 39 65 ILE . 26031 1 40 66 LYS . 26031 1 41 67 ILE . 26031 1 42 68 GLU . 26031 1 43 69 SER . 26031 1 44 70 GLU . 26031 1 45 71 GLU . 26031 1 46 72 PHE . 26031 1 47 73 LYS . 26031 1 48 74 GLU . 26031 1 49 75 LYS . 26031 1 50 76 ARG . 26031 1 51 77 THR . 26031 1 52 78 VAL . 26031 1 53 79 GLN . 26031 1 54 80 GLN . 26031 1 55 81 HIS . 26031 1 56 82 GLN . 26031 1 57 83 MET . 26031 1 58 84 VAL . 26031 1 59 85 ASN . 26031 1 60 86 GLN . 26031 1 61 87 ALA . 26031 1 62 88 LEU . 26031 1 63 89 LYS . 26031 1 64 90 GLU . 26031 1 65 91 GLU . 26031 1 66 92 ILE . 26031 1 67 93 LYS . 26031 1 68 94 GLU . 26031 1 69 95 MET . 26031 1 70 96 HIS . 26031 1 71 97 GLY . 26031 1 72 98 LEU . 26031 1 73 99 ARG . 26031 1 74 100 ILE . 26031 1 75 101 PHE . 26031 1 76 102 THR . 26031 1 77 103 SER . 26031 1 78 104 VAL . 26031 1 79 105 PRO . 26031 1 80 106 LYS . 26031 1 81 107 ARG . 26031 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 . ALA 1 1 26031 1 . THR 2 2 26031 1 . GLN 3 3 26031 1 . THR 4 4 26031 1 . GLU 5 5 26031 1 . GLY 6 6 26031 1 . GLU 7 7 26031 1 . LEU 8 8 26031 1 . ARG 9 9 26031 1 . VAL 10 10 26031 1 . THR 11 11 26031 1 . GLN 12 12 26031 1 . ILE 13 13 26031 1 . LEU 14 14 26031 1 . LYS 15 15 26031 1 . GLU 16 16 26031 1 . LYS 17 17 26031 1 . PHE 18 18 26031 1 . PRO 19 19 26031 1 . ARG 20 20 26031 1 . ALA 21 21 26031 1 . THR 22 22 26031 1 . ALA 23 23 26031 1 . ILE 24 24 26031 1 . LYS 25 25 26031 1 . VAL 26 26 26031 1 . THR 27 27 26031 1 . ASP 28 28 26031 1 . ILE 29 29 26031 1 . SER 30 30 26031 1 . GLY 31 31 26031 1 . GLY 32 32 26031 1 . CYS 33 33 26031 1 . GLY 34 34 26031 1 . ALA 35 35 26031 1 . MET 36 36 26031 1 . TYR 37 37 26031 1 . GLU 38 38 26031 1 . ILE 39 39 26031 1 . LYS 40 40 26031 1 . ILE 41 41 26031 1 . GLU 42 42 26031 1 . SER 43 43 26031 1 . GLU 44 44 26031 1 . GLU 45 45 26031 1 . PHE 46 46 26031 1 . LYS 47 47 26031 1 . GLU 48 48 26031 1 . LYS 49 49 26031 1 . ARG 50 50 26031 1 . THR 51 51 26031 1 . VAL 52 52 26031 1 . GLN 53 53 26031 1 . GLN 54 54 26031 1 . HIS 55 55 26031 1 . GLN 56 56 26031 1 . MET 57 57 26031 1 . VAL 58 58 26031 1 . ASN 59 59 26031 1 . GLN 60 60 26031 1 . ALA 61 61 26031 1 . LEU 62 62 26031 1 . LYS 63 63 26031 1 . GLU 64 64 26031 1 . GLU 65 65 26031 1 . ILE 66 66 26031 1 . LYS 67 67 26031 1 . GLU 68 68 26031 1 . MET 69 69 26031 1 . HIS 70 70 26031 1 . GLY 71 71 26031 1 . LEU 72 72 26031 1 . ARG 73 73 26031 1 . ILE 74 74 26031 1 . PHE 75 75 26031 1 . THR 76 76 26031 1 . SER 77 77 26031 1 . VAL 78 78 26031 1 . PRO 79 79 26031 1 . LYS 80 80 26031 1 . ARG 81 81 26031 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 26031 _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 $BOLA3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26031 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 26031 _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 $BOLA3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)GOLD . . . . . pET15 . . . 26031 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26031 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BOLA3 '[U-100% 15N]' . . 1 $BOLA3 . . 0.75 0.5 1 mM . . . . 26031 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26031 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 26031 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26031 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BOLA3 '[U-100% 13C; U-100% 15N]' . . 1 $BOLA3 . . 0.75 0.5 1 mM . . . . 26031 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26031 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 26031 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26031 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BOLA3 'natural abundance' . . 1 $BOLA3 . . 1 . . mM . . . . 26031 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26031 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 26031 3 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 26031 _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 pH 7.0 . pH 26031 1 pressure 1 . atm 26031 1 temperature 298 . K 26031 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26031 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26031 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26031 1 processing 26031 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26031 _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' . . 26031 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26031 2 'peak picking' 26031 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 26031 _Software.ID 3 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 26031 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 26031 3 'structure solution' 26031 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 26031 _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' . . 26031 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26031 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 26031 _Software.ID 5 _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' . . 26031 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26031 5 stop_ save_ save_iCING _Software.Sf_category software _Software.Sf_framecode iCING _Software.Entry_ID 26031 _Software.ID 6 _Software.Name iCING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vuister, Sousa da Silva and Doreleijers' . . 26031 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 26031 6 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 26031 _Software.ID 7 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 26031 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 26031 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26031 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26031 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26031 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 26031 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 26031 1 2 spectrometer_2 Bruker Avance . 700 . . . 26031 1 3 spectrometer_3 Bruker Avance . 900 . . . 26031 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 26031 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26031 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26031 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26031 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26031 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26031 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26031 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26031 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26031 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26031 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26031 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26031 1 12 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26031 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26031 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26031 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26031 _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 0.00 na indirect 0.251449530 . . . . . 26031 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26031 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26031 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26031 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26031 1 2 '2D 1H-13C HSQC' . . . 26031 1 13 '3D 1H-15N NOESY' . . . 26031 1 14 '3D 1H-13C NOESY aliphatic' . . . 26031 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 2 $CARA . . 26031 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.012 0.020 . 1 . . . A 27 ALA HA . 26031 1 2 . 1 1 1 1 ALA HB1 H 1 1.417 0.020 . 1 . . . A 27 ALA HB . 26031 1 3 . 1 1 1 1 ALA HB2 H 1 1.417 0.020 . 1 . . . A 27 ALA HB . 26031 1 4 . 1 1 1 1 ALA HB3 H 1 1.417 0.020 . 1 . . . A 27 ALA HB . 26031 1 5 . 1 1 1 1 ALA CA C 13 51.665 0.300 . 1 . . . A 27 ALA CA . 26031 1 6 . 1 1 1 1 ALA CB C 13 19.503 0.300 . 1 . . . A 27 ALA CB . 26031 1 7 . 1 1 2 2 THR HA H 1 4.274 0.020 . 1 . . . A 28 THR HA . 26031 1 8 . 1 1 2 2 THR HB H 1 4.101 0.020 . 1 . . . A 28 THR HB . 26031 1 9 . 1 1 2 2 THR HG21 H 1 1.151 0.020 . 1 . . . A 28 THR HG21 . 26031 1 10 . 1 1 2 2 THR HG22 H 1 1.151 0.020 . 1 . . . A 28 THR HG22 . 26031 1 11 . 1 1 2 2 THR HG23 H 1 1.151 0.020 . 1 . . . A 28 THR HG23 . 26031 1 12 . 1 1 2 2 THR C C 13 174.236 0.300 . 1 . . . A 28 THR C . 26031 1 13 . 1 1 2 2 THR CA C 13 61.643 0.300 . 1 . . . A 28 THR CA . 26031 1 14 . 1 1 2 2 THR CB C 13 69.482 0.300 . 1 . . . A 28 THR CB . 26031 1 15 . 1 1 2 2 THR CG2 C 13 21.410 0.300 . 1 . . . A 28 THR CG2 . 26031 1 16 . 1 1 3 3 GLN H H 1 8.394 0.020 . 1 . . . A 29 GLN H . 26031 1 17 . 1 1 3 3 GLN HA H 1 4.673 0.020 . 1 . . . A 29 GLN HA . 26031 1 18 . 1 1 3 3 GLN HB2 H 1 1.874 0.020 . 2 . . . A 29 GLN HB2 . 26031 1 19 . 1 1 3 3 GLN HB3 H 1 2.142 0.020 . 2 . . . A 29 GLN HB3 . 26031 1 20 . 1 1 3 3 GLN HG2 H 1 2.310 0.020 . 2 . . . A 29 GLN HG2 . 26031 1 21 . 1 1 3 3 GLN HG3 H 1 2.369 0.020 . 2 . . . A 29 GLN HG3 . 26031 1 22 . 1 1 3 3 GLN HE21 H 1 7.510 0.020 . 1 . . . A 29 GLN HE21 . 26031 1 23 . 1 1 3 3 GLN HE22 H 1 6.710 0.020 . 1 . . . A 29 GLN HE22 . 26031 1 24 . 1 1 3 3 GLN C C 13 176.344 0.300 . 1 . . . A 29 GLN C . 26031 1 25 . 1 1 3 3 GLN CA C 13 55.783 0.300 . 1 . . . A 29 GLN CA . 26031 1 26 . 1 1 3 3 GLN CB C 13 31.427 0.300 . 1 . . . A 29 GLN CB . 26031 1 27 . 1 1 3 3 GLN CG C 13 34.890 0.300 . 1 . . . A 29 GLN CG . 26031 1 28 . 1 1 3 3 GLN N N 15 123.443 0.300 . 1 . . . A 29 GLN N . 26031 1 29 . 1 1 3 3 GLN NE2 N 15 111.800 0.300 . 1 . . . A 29 GLN NE2 . 26031 1 30 . 1 1 4 4 THR H H 1 9.253 0.020 . 1 . . . A 30 THR H . 26031 1 31 . 1 1 4 4 THR HA H 1 4.389 0.020 . 1 . . . A 30 THR HA . 26031 1 32 . 1 1 4 4 THR HB H 1 4.680 0.020 . 1 . . . A 30 THR HB . 26031 1 33 . 1 1 4 4 THR HG21 H 1 1.239 0.020 . 1 . . . A 30 THR HG21 . 26031 1 34 . 1 1 4 4 THR HG22 H 1 1.239 0.020 . 1 . . . A 30 THR HG22 . 26031 1 35 . 1 1 4 4 THR HG23 H 1 1.239 0.020 . 1 . . . A 30 THR HG23 . 26031 1 36 . 1 1 4 4 THR C C 13 174.880 0.300 . 1 . . . A 30 THR C . 26031 1 37 . 1 1 4 4 THR CA C 13 60.544 0.300 . 1 . . . A 30 THR CA . 26031 1 38 . 1 1 4 4 THR CB C 13 70.437 0.300 . 1 . . . A 30 THR CB . 26031 1 39 . 1 1 4 4 THR CG2 C 13 22.018 0.300 . 1 . . . A 30 THR CG2 . 26031 1 40 . 1 1 4 4 THR N N 15 114.633 0.300 . 1 . . . A 30 THR N . 26031 1 41 . 1 1 5 5 GLU H H 1 8.901 0.020 . 1 . . . A 31 GLU H . 26031 1 42 . 1 1 5 5 GLU HA H 1 3.919 0.020 . 1 . . . A 31 GLU HA . 26031 1 43 . 1 1 5 5 GLU HB2 H 1 1.980 0.020 . 2 . . . A 31 GLU HB2 . 26031 1 44 . 1 1 5 5 GLU HB3 H 1 1.940 0.020 . 2 . . . A 31 GLU HB3 . 26031 1 45 . 1 1 5 5 GLU HG2 H 1 2.302 0.020 . 2 . . . A 31 GLU HG2 . 26031 1 46 . 1 1 5 5 GLU HG3 H 1 2.206 0.020 . 2 . . . A 31 GLU HG3 . 26031 1 47 . 1 1 5 5 GLU C C 13 179.428 0.300 . 1 . . . A 31 GLU C . 26031 1 48 . 1 1 5 5 GLU CA C 13 59.539 0.300 . 1 . . . A 31 GLU CA . 26031 1 49 . 1 1 5 5 GLU CB C 13 28.871 0.300 . 1 . . . A 31 GLU CB . 26031 1 50 . 1 1 5 5 GLU CG C 13 36.042 0.300 . 1 . . . A 31 GLU CG . 26031 1 51 . 1 1 5 5 GLU N N 15 120.392 0.300 . 1 . . . A 31 GLU N . 26031 1 52 . 1 1 6 6 GLY H H 1 8.551 0.020 . 1 . . . A 32 GLY H . 26031 1 53 . 1 1 6 6 GLY HA2 H 1 3.755 0.020 . 2 . . . A 32 GLY HA2 . 26031 1 54 . 1 1 6 6 GLY HA3 H 1 3.828 0.020 . 2 . . . A 32 GLY HA3 . 26031 1 55 . 1 1 6 6 GLY C C 13 175.276 0.300 . 1 . . . A 32 GLY C . 26031 1 56 . 1 1 6 6 GLY CA C 13 46.973 0.300 . 1 . . . A 32 GLY CA . 26031 1 57 . 1 1 6 6 GLY N N 15 107.333 0.300 . 1 . . . A 32 GLY N . 26031 1 58 . 1 1 7 7 GLU H H 1 8.094 0.020 . 1 . . . A 33 GLU H . 26031 1 59 . 1 1 7 7 GLU HA H 1 3.578 0.020 . 1 . . . A 33 GLU HA . 26031 1 60 . 1 1 7 7 GLU HB2 H 1 1.839 0.020 . 2 . . . A 33 GLU HB2 . 26031 1 61 . 1 1 7 7 GLU HB3 H 1 2.468 0.020 . 2 . . . A 33 GLU HB3 . 26031 1 62 . 1 1 7 7 GLU HG2 H 1 2.673 0.020 . 2 . . . A 33 GLU HG2 . 26031 1 63 . 1 1 7 7 GLU HG3 H 1 2.113 0.020 . 2 . . . A 33 GLU HG3 . 26031 1 64 . 1 1 7 7 GLU C C 13 180.760 0.300 . 1 . . . A 33 GLU C . 26031 1 65 . 1 1 7 7 GLU CA C 13 59.356 0.300 . 1 . . . A 33 GLU CA . 26031 1 66 . 1 1 7 7 GLU CB C 13 29.835 0.300 . 1 . . . A 33 GLU CB . 26031 1 67 . 1 1 7 7 GLU CG C 13 37.838 0.300 . 1 . . . A 33 GLU CG . 26031 1 68 . 1 1 7 7 GLU N N 15 120.504 0.300 . 1 . . . A 33 GLU N . 26031 1 69 . 1 1 8 8 LEU H H 1 8.281 0.020 . 1 . . . A 34 LEU H . 26031 1 70 . 1 1 8 8 LEU HA H 1 3.812 0.020 . 1 . . . A 34 LEU HA . 26031 1 71 . 1 1 8 8 LEU HB2 H 1 1.686 0.020 . 2 . . . A 34 LEU HB2 . 26031 1 72 . 1 1 8 8 LEU HB3 H 1 1.544 0.020 . 2 . . . A 34 LEU HB3 . 26031 1 73 . 1 1 8 8 LEU HG H 1 1.515 0.020 . 1 . . . A 34 LEU HG . 26031 1 74 . 1 1 8 8 LEU HD11 H 1 0.774 0.020 . 2 . . . A 34 LEU HD11 . 26031 1 75 . 1 1 8 8 LEU HD12 H 1 0.774 0.020 . 2 . . . A 34 LEU HD12 . 26031 1 76 . 1 1 8 8 LEU HD13 H 1 0.774 0.020 . 2 . . . A 34 LEU HD13 . 26031 1 77 . 1 1 8 8 LEU HD21 H 1 0.786 0.020 . 1 . . . A 34 LEU HD21 . 26031 1 78 . 1 1 8 8 LEU HD22 H 1 0.786 0.020 . 1 . . . A 34 LEU HD22 . 26031 1 79 . 1 1 8 8 LEU HD23 H 1 0.786 0.020 . 1 . . . A 34 LEU HD23 . 26031 1 80 . 1 1 8 8 LEU C C 13 178.510 0.300 . 1 . . . A 34 LEU C . 26031 1 81 . 1 1 8 8 LEU CA C 13 58.122 0.300 . 1 . . . A 34 LEU CA . 26031 1 82 . 1 1 8 8 LEU CB C 13 41.337 0.300 . 1 . . . A 34 LEU CB . 26031 1 83 . 1 1 8 8 LEU CG C 13 26.496 0.300 . 1 . . . A 34 LEU CG . 26031 1 84 . 1 1 8 8 LEU CD1 C 13 24.106 0.300 . 1 . . . A 34 LEU CD1 . 26031 1 85 . 1 1 8 8 LEU CD2 C 13 23.259 0.300 . 1 . . . A 34 LEU CD2 . 26031 1 86 . 1 1 8 8 LEU N N 15 121.855 0.300 . 1 . . . A 34 LEU N . 26031 1 87 . 1 1 9 9 ARG H H 1 8.203 0.020 . 1 . . . A 35 ARG H . 26031 1 88 . 1 1 9 9 ARG HA H 1 3.934 0.020 . 1 . . . A 35 ARG HA . 26031 1 89 . 1 1 9 9 ARG HB2 H 1 1.813 0.020 . 1 . . . A 35 ARG HB2 . 26031 1 90 . 1 1 9 9 ARG HB3 H 1 1.813 0.020 . 1 . . . A 35 ARG HB3 . 26031 1 91 . 1 1 9 9 ARG HG2 H 1 1.548 0.020 . 2 . . . A 35 ARG HG2 . 26031 1 92 . 1 1 9 9 ARG HG3 H 1 1.397 0.020 . 2 . . . A 35 ARG HG3 . 26031 1 93 . 1 1 9 9 ARG HD2 H 1 3.203 0.020 . 2 . . . A 35 ARG HD2 . 26031 1 94 . 1 1 9 9 ARG HD3 H 1 3.067 0.020 . 2 . . . A 35 ARG HD3 . 26031 1 95 . 1 1 9 9 ARG C C 13 178.409 0.300 . 1 . . . A 35 ARG C . 26031 1 96 . 1 1 9 9 ARG CA C 13 59.175 0.300 . 1 . . . A 35 ARG CA . 26031 1 97 . 1 1 9 9 ARG CB C 13 29.798 0.300 . 1 . . . A 35 ARG CB . 26031 1 98 . 1 1 9 9 ARG CG C 13 27.248 0.300 . 1 . . . A 35 ARG CG . 26031 1 99 . 1 1 9 9 ARG CD C 13 42.697 0.300 . 1 . . . A 35 ARG CD . 26031 1 100 . 1 1 9 9 ARG N N 15 121.316 0.300 . 1 . . . A 35 ARG N . 26031 1 101 . 1 1 10 10 VAL H H 1 8.127 0.020 . 1 . . . A 36 VAL H . 26031 1 102 . 1 1 10 10 VAL HA H 1 3.182 0.020 . 1 . . . A 36 VAL HA . 26031 1 103 . 1 1 10 10 VAL HB H 1 1.578 0.020 . 1 . . . A 36 VAL HB . 26031 1 104 . 1 1 10 10 VAL HG11 H 1 0.327 0.020 . 1 . . . A 36 VAL HG11 . 26031 1 105 . 1 1 10 10 VAL HG12 H 1 0.327 0.020 . 1 . . . A 36 VAL HG12 . 26031 1 106 . 1 1 10 10 VAL HG13 H 1 0.327 0.020 . 1 . . . A 36 VAL HG13 . 26031 1 107 . 1 1 10 10 VAL HG21 H 1 0.454 0.020 . 1 . . . A 36 VAL HG21 . 26031 1 108 . 1 1 10 10 VAL HG22 H 1 0.454 0.020 . 1 . . . A 36 VAL HG22 . 26031 1 109 . 1 1 10 10 VAL HG23 H 1 0.454 0.020 . 1 . . . A 36 VAL HG23 . 26031 1 110 . 1 1 10 10 VAL C C 13 177.214 0.300 . 1 . . . A 36 VAL C . 26031 1 111 . 1 1 10 10 VAL CA C 13 66.712 0.300 . 1 . . . A 36 VAL CA . 26031 1 112 . 1 1 10 10 VAL CB C 13 31.040 0.300 . 1 . . . A 36 VAL CB . 26031 1 113 . 1 1 10 10 VAL CG1 C 13 22.316 0.300 . 1 . . . A 36 VAL CG1 . 26031 1 114 . 1 1 10 10 VAL CG2 C 13 21.842 0.300 . 1 . . . A 36 VAL CG2 . 26031 1 115 . 1 1 10 10 VAL N N 15 118.084 0.300 . 1 . . . A 36 VAL N . 26031 1 116 . 1 1 11 11 THR H H 1 7.766 0.020 . 1 . . . A 37 THR H . 26031 1 117 . 1 1 11 11 THR HA H 1 4.281 0.020 . 1 . . . A 37 THR HA . 26031 1 118 . 1 1 11 11 THR HB H 1 3.437 0.020 . 1 . . . A 37 THR HB . 26031 1 119 . 1 1 11 11 THR HG21 H 1 1.079 0.020 . 1 . . . A 37 THR HG21 . 26031 1 120 . 1 1 11 11 THR HG22 H 1 1.079 0.020 . 1 . . . A 37 THR HG22 . 26031 1 121 . 1 1 11 11 THR HG23 H 1 1.079 0.020 . 1 . . . A 37 THR HG23 . 26031 1 122 . 1 1 11 11 THR C C 13 174.631 0.300 . 1 . . . A 37 THR C . 26031 1 123 . 1 1 11 11 THR CA C 13 68.220 0.300 . 1 . . . A 37 THR CA . 26031 1 124 . 1 1 11 11 THR CB C 13 68.024 0.300 . 1 . . . A 37 THR CB . 26031 1 125 . 1 1 11 11 THR CG2 C 13 20.366 0.300 . 1 . . . A 37 THR CG2 . 26031 1 126 . 1 1 11 11 THR N N 15 115.067 0.300 . 1 . . . A 37 THR N . 26031 1 127 . 1 1 12 12 GLN H H 1 7.975 0.020 . 1 . . . A 38 GLN H . 26031 1 128 . 1 1 12 12 GLN HA H 1 3.780 0.020 . 1 . . . A 38 GLN HA . 26031 1 129 . 1 1 12 12 GLN HB2 H 1 2.128 0.020 . 2 . . . A 38 GLN HB2 . 26031 1 130 . 1 1 12 12 GLN HB3 H 1 2.033 0.020 . 2 . . . A 38 GLN HB3 . 26031 1 131 . 1 1 12 12 GLN HG2 H 1 2.371 0.020 . 2 . . . A 38 GLN HG2 . 26031 1 132 . 1 1 12 12 GLN HG3 H 1 2.297 0.020 . 2 . . . A 38 GLN HG3 . 26031 1 133 . 1 1 12 12 GLN HE21 H 1 7.524 0.020 . 1 . . . A 38 GLN HE21 . 26031 1 134 . 1 1 12 12 GLN HE22 H 1 6.780 0.020 . 1 . . . A 38 GLN HE22 . 26031 1 135 . 1 1 12 12 GLN C C 13 178.410 0.300 . 1 . . . A 38 GLN C . 26031 1 136 . 1 1 12 12 GLN CA C 13 58.951 0.300 . 1 . . . A 38 GLN CA . 26031 1 137 . 1 1 12 12 GLN CB C 13 27.478 0.300 . 1 . . . A 38 GLN CB . 26031 1 138 . 1 1 12 12 GLN CG C 13 33.123 0.300 . 1 . . . A 38 GLN CG . 26031 1 139 . 1 1 12 12 GLN N N 15 119.900 0.300 . 1 . . . A 38 GLN N . 26031 1 140 . 1 1 12 12 GLN NE2 N 15 111.526 0.300 . 1 . . . A 38 GLN NE2 . 26031 1 141 . 1 1 13 13 ILE H H 1 7.757 0.020 . 1 . . . A 39 ILE H . 26031 1 142 . 1 1 13 13 ILE HA H 1 3.649 0.020 . 1 . . . A 39 ILE HA . 26031 1 143 . 1 1 13 13 ILE HB H 1 1.646 0.020 . 1 . . . A 39 ILE HB . 26031 1 144 . 1 1 13 13 ILE HG12 H 1 0.999 0.020 . 2 . . . A 39 ILE HG12 . 26031 1 145 . 1 1 13 13 ILE HG13 H 1 1.644 0.020 . 2 . . . A 39 ILE HG13 . 26031 1 146 . 1 1 13 13 ILE HG21 H 1 0.751 0.020 . 1 . . . A 39 ILE HG21 . 26031 1 147 . 1 1 13 13 ILE HG22 H 1 0.751 0.020 . 1 . . . A 39 ILE HG22 . 26031 1 148 . 1 1 13 13 ILE HG23 H 1 0.751 0.020 . 1 . . . A 39 ILE HG23 . 26031 1 149 . 1 1 13 13 ILE HD11 H 1 0.668 0.020 . 1 . . . A 39 ILE HD11 . 26031 1 150 . 1 1 13 13 ILE HD12 H 1 0.668 0.020 . 1 . . . A 39 ILE HD12 . 26031 1 151 . 1 1 13 13 ILE HD13 H 1 0.668 0.020 . 1 . . . A 39 ILE HD13 . 26031 1 152 . 1 1 13 13 ILE C C 13 178.334 0.300 . 1 . . . A 39 ILE C . 26031 1 153 . 1 1 13 13 ILE CA C 13 64.519 0.300 . 1 . . . A 39 ILE CA . 26031 1 154 . 1 1 13 13 ILE CB C 13 37.924 0.300 . 1 . . . A 39 ILE CB . 26031 1 155 . 1 1 13 13 ILE CG1 C 13 28.150 0.300 . 1 . . . A 39 ILE CG1 . 26031 1 156 . 1 1 13 13 ILE CG2 C 13 17.598 0.300 . 1 . . . A 39 ILE CG2 . 26031 1 157 . 1 1 13 13 ILE CD1 C 13 13.770 0.300 . 1 . . . A 39 ILE CD1 . 26031 1 158 . 1 1 13 13 ILE N N 15 119.603 0.300 . 1 . . . A 39 ILE N . 26031 1 159 . 1 1 14 14 LEU H H 1 7.950 0.020 . 1 . . . A 40 LEU H . 26031 1 160 . 1 1 14 14 LEU HA H 1 3.983 0.020 . 1 . . . A 40 LEU HA . 26031 1 161 . 1 1 14 14 LEU HB2 H 1 2.031 0.020 . 2 . . . A 40 LEU HB2 . 26031 1 162 . 1 1 14 14 LEU HB3 H 1 1.218 0.020 . 2 . . . A 40 LEU HB3 . 26031 1 163 . 1 1 14 14 LEU HG H 1 1.906 0.020 . 1 . . . A 40 LEU HG . 26031 1 164 . 1 1 14 14 LEU HD11 H 1 0.602 0.020 . 2 . . . A 40 LEU HD11 . 26031 1 165 . 1 1 14 14 LEU HD12 H 1 0.602 0.020 . 2 . . . A 40 LEU HD12 . 26031 1 166 . 1 1 14 14 LEU HD13 H 1 0.602 0.020 . 2 . . . A 40 LEU HD13 . 26031 1 167 . 1 1 14 14 LEU HD21 H 1 0.819 0.020 . 1 . . . A 40 LEU HD21 . 26031 1 168 . 1 1 14 14 LEU HD22 H 1 0.819 0.020 . 1 . . . A 40 LEU HD22 . 26031 1 169 . 1 1 14 14 LEU HD23 H 1 0.819 0.020 . 1 . . . A 40 LEU HD23 . 26031 1 170 . 1 1 14 14 LEU C C 13 178.009 0.300 . 1 . . . A 40 LEU C . 26031 1 171 . 1 1 14 14 LEU CA C 13 57.879 0.300 . 1 . . . A 40 LEU CA . 26031 1 172 . 1 1 14 14 LEU CB C 13 41.708 0.300 . 1 . . . A 40 LEU CB . 26031 1 173 . 1 1 14 14 LEU CG C 13 25.902 0.300 . 1 . . . A 40 LEU CG . 26031 1 174 . 1 1 14 14 LEU CD1 C 13 27.543 0.300 . 1 . . . A 40 LEU CD1 . 26031 1 175 . 1 1 14 14 LEU CD2 C 13 22.131 0.300 . 1 . . . A 40 LEU CD2 . 26031 1 176 . 1 1 14 14 LEU N N 15 117.998 0.300 . 1 . . . A 40 LEU N . 26031 1 177 . 1 1 15 15 LYS H H 1 8.506 0.020 . 1 . . . A 41 LYS H . 26031 1 178 . 1 1 15 15 LYS HA H 1 3.778 0.020 . 1 . . . A 41 LYS HA . 26031 1 179 . 1 1 15 15 LYS HB2 H 1 1.781 0.020 . 2 . . . A 41 LYS HB2 . 26031 1 180 . 1 1 15 15 LYS HB3 H 1 1.731 0.020 . 2 . . . A 41 LYS HB3 . 26031 1 181 . 1 1 15 15 LYS HG2 H 1 1.481 0.020 . 2 . . . A 41 LYS HG2 . 26031 1 182 . 1 1 15 15 LYS HG3 H 1 1.315 0.020 . 2 . . . A 41 LYS HG3 . 26031 1 183 . 1 1 15 15 LYS HD2 H 1 1.585 0.020 . 2 . . . A 41 LYS HD2 . 26031 1 184 . 1 1 15 15 LYS HD3 H 1 1.513 0.020 . 2 . . . A 41 LYS HD3 . 26031 1 185 . 1 1 15 15 LYS HE2 H 1 2.817 0.020 . 2 . . . A 41 LYS HE2 . 26031 1 186 . 1 1 15 15 LYS HE3 H 1 2.929 0.020 . 2 . . . A 41 LYS HE3 . 26031 1 187 . 1 1 15 15 LYS C C 13 178.645 0.300 . 1 . . . A 41 LYS C . 26031 1 188 . 1 1 15 15 LYS CA C 13 58.853 0.300 . 1 . . . A 41 LYS CA . 26031 1 189 . 1 1 15 15 LYS CB C 13 31.973 0.300 . 1 . . . A 41 LYS CB . 26031 1 190 . 1 1 15 15 LYS CG C 13 25.248 0.300 . 1 . . . A 41 LYS CG . 26031 1 191 . 1 1 15 15 LYS CD C 13 28.812 0.300 . 1 . . . A 41 LYS CD . 26031 1 192 . 1 1 15 15 LYS CE C 13 41.648 0.300 . 1 . . . A 41 LYS CE . 26031 1 193 . 1 1 15 15 LYS N N 15 119.079 0.300 . 1 . . . A 41 LYS N . 26031 1 194 . 1 1 16 16 GLU H H 1 7.394 0.020 . 1 . . . A 42 GLU H . 26031 1 195 . 1 1 16 16 GLU HA H 1 3.902 0.020 . 1 . . . A 42 GLU HA . 26031 1 196 . 1 1 16 16 GLU HB2 H 1 1.966 0.020 . 2 . . . A 42 GLU HB2 . 26031 1 197 . 1 1 16 16 GLU HB3 H 1 2.056 0.020 . 2 . . . A 42 GLU HB3 . 26031 1 198 . 1 1 16 16 GLU HG2 H 1 2.334 0.020 . 2 . . . A 42 GLU HG2 . 26031 1 199 . 1 1 16 16 GLU HG3 H 1 2.087 0.020 . 2 . . . A 42 GLU HG3 . 26031 1 200 . 1 1 16 16 GLU C C 13 178.350 0.300 . 1 . . . A 42 GLU C . 26031 1 201 . 1 1 16 16 GLU CA C 13 58.222 0.300 . 1 . . . A 42 GLU CA . 26031 1 202 . 1 1 16 16 GLU CB C 13 29.245 0.300 . 1 . . . A 42 GLU CB . 26031 1 203 . 1 1 16 16 GLU CG C 13 36.081 0.300 . 1 . . . A 42 GLU CG . 26031 1 204 . 1 1 16 16 GLU N N 15 116.511 0.300 . 1 . . . A 42 GLU N . 26031 1 205 . 1 1 17 17 LYS H H 1 7.825 0.020 . 1 . . . A 43 LYS H . 26031 1 206 . 1 1 17 17 LYS HA H 1 3.920 0.020 . 1 . . . A 43 LYS HA . 26031 1 207 . 1 1 17 17 LYS HB2 H 1 1.512 0.020 . 2 . . . A 43 LYS HB2 . 26031 1 208 . 1 1 17 17 LYS HB3 H 1 1.282 0.020 . 2 . . . A 43 LYS HB3 . 26031 1 209 . 1 1 17 17 LYS HG2 H 1 1.422 0.020 . 2 . . . A 43 LYS HG2 . 26031 1 210 . 1 1 17 17 LYS HG3 H 1 1.249 0.020 . 2 . . . A 43 LYS HG3 . 26031 1 211 . 1 1 17 17 LYS HD2 H 1 1.406 0.020 . 2 . . . A 43 LYS HD2 . 26031 1 212 . 1 1 17 17 LYS HD3 H 1 1.513 0.020 . 2 . . . A 43 LYS HD3 . 26031 1 213 . 1 1 17 17 LYS HE2 H 1 2.891 0.020 . 2 . . . A 43 LYS HE2 . 26031 1 214 . 1 1 17 17 LYS HE3 H 1 2.870 0.020 . 2 . . . A 43 LYS HE3 . 26031 1 215 . 1 1 17 17 LYS C C 13 175.427 0.300 . 1 . . . A 43 LYS C . 26031 1 216 . 1 1 17 17 LYS CA C 13 56.066 0.300 . 1 . . . A 43 LYS CA . 26031 1 217 . 1 1 17 17 LYS CB C 13 32.406 0.300 . 1 . . . A 43 LYS CB . 26031 1 218 . 1 1 17 17 LYS CG C 13 24.940 0.300 . 1 . . . A 43 LYS CG . 26031 1 219 . 1 1 17 17 LYS CD C 13 28.160 0.300 . 1 . . . A 43 LYS CD . 26031 1 220 . 1 1 17 17 LYS CE C 13 41.903 0.300 . 1 . . . A 43 LYS CE . 26031 1 221 . 1 1 17 17 LYS N N 15 116.802 0.300 . 1 . . . A 43 LYS N . 26031 1 222 . 1 1 18 18 PHE H H 1 8.130 0.020 . 1 . . . A 44 PHE H . 26031 1 223 . 1 1 18 18 PHE HA H 1 4.814 0.020 . 1 . . . A 44 PHE HA . 26031 1 224 . 1 1 18 18 PHE HB2 H 1 2.853 0.020 . 2 . . . A 44 PHE HB2 . 26031 1 225 . 1 1 18 18 PHE HB3 H 1 3.053 0.020 . 2 . . . A 44 PHE HB3 . 26031 1 226 . 1 1 18 18 PHE HD1 H 1 7.176 0.020 . 1 . . . A 44 PHE HD1 . 26031 1 227 . 1 1 18 18 PHE HD2 H 1 7.176 0.020 . 1 . . . A 44 PHE HD2 . 26031 1 228 . 1 1 18 18 PHE HE1 H 1 6.880 0.020 . 1 . . . A 44 PHE HE1 . 26031 1 229 . 1 1 18 18 PHE HE2 H 1 6.880 0.020 . 1 . . . A 44 PHE HE2 . 26031 1 230 . 1 1 18 18 PHE HZ H 1 6.760 0.020 . 1 . . . A 44 PHE HZ . 26031 1 231 . 1 1 18 18 PHE C C 13 173.725 0.300 . 1 . . . A 44 PHE C . 26031 1 232 . 1 1 18 18 PHE CA C 13 56.062 0.300 . 1 . . . A 44 PHE CA . 26031 1 233 . 1 1 18 18 PHE CB C 13 37.238 0.300 . 1 . . . A 44 PHE CB . 26031 1 234 . 1 1 18 18 PHE N N 15 117.654 0.300 . 1 . . . A 44 PHE N . 26031 1 235 . 1 1 19 19 PRO HA H 1 4.459 0.020 . 1 . . . A 45 PRO HA . 26031 1 236 . 1 1 19 19 PRO HB2 H 1 1.888 0.020 . 2 . . . A 45 PRO HB2 . 26031 1 237 . 1 1 19 19 PRO HB3 H 1 2.199 0.020 . 2 . . . A 45 PRO HB3 . 26031 1 238 . 1 1 19 19 PRO HG2 H 1 1.694 0.020 . 2 . . . A 45 PRO HG2 . 26031 1 239 . 1 1 19 19 PRO HG3 H 1 1.868 0.020 . 2 . . . A 45 PRO HG3 . 26031 1 240 . 1 1 19 19 PRO HD2 H 1 3.496 0.020 . 2 . . . A 45 PRO HD2 . 26031 1 241 . 1 1 19 19 PRO HD3 H 1 3.033 0.020 . 2 . . . A 45 PRO HD3 . 26031 1 242 . 1 1 19 19 PRO C C 13 178.342 0.300 . 1 . . . A 45 PRO C . 26031 1 243 . 1 1 19 19 PRO CA C 13 64.184 0.300 . 1 . . . A 45 PRO CA . 26031 1 244 . 1 1 19 19 PRO CB C 13 31.655 0.300 . 1 . . . A 45 PRO CB . 26031 1 245 . 1 1 19 19 PRO CG C 13 26.823 0.300 . 1 . . . A 45 PRO CG . 26031 1 246 . 1 1 19 19 PRO CD C 13 50.318 0.300 . 1 . . . A 45 PRO CD . 26031 1 247 . 1 1 20 20 ARG H H 1 8.710 0.020 . 1 . . . A 46 ARG H . 26031 1 248 . 1 1 20 20 ARG HA H 1 4.288 0.020 . 1 . . . A 46 ARG HA . 26031 1 249 . 1 1 20 20 ARG HB2 H 1 1.921 0.020 . 2 . . . A 46 ARG HB2 . 26031 1 250 . 1 1 20 20 ARG HB3 H 1 1.343 0.020 . 2 . . . A 46 ARG HB3 . 26031 1 251 . 1 1 20 20 ARG HG2 H 1 1.457 0.020 . 2 . . . A 46 ARG HG2 . 26031 1 252 . 1 1 20 20 ARG HG3 H 1 1.324 0.020 . 2 . . . A 46 ARG HG3 . 26031 1 253 . 1 1 20 20 ARG HD2 H 1 3.075 0.020 . 2 . . . A 46 ARG HD2 . 26031 1 254 . 1 1 20 20 ARG HD3 H 1 2.996 0.020 . 2 . . . A 46 ARG HD3 . 26031 1 255 . 1 1 20 20 ARG C C 13 176.710 0.300 . 1 . . . A 46 ARG C . 26031 1 256 . 1 1 20 20 ARG CA C 13 54.969 0.300 . 1 . . . A 46 ARG CA . 26031 1 257 . 1 1 20 20 ARG CB C 13 29.210 0.300 . 1 . . . A 46 ARG CB . 26031 1 258 . 1 1 20 20 ARG CG C 13 26.967 0.300 . 1 . . . A 46 ARG CG . 26031 1 259 . 1 1 20 20 ARG CD C 13 43.108 0.300 . 1 . . . A 46 ARG CD . 26031 1 260 . 1 1 20 20 ARG N N 15 116.625 0.300 . 1 . . . A 46 ARG N . 26031 1 261 . 1 1 21 21 ALA H H 1 7.738 0.020 . 1 . . . A 47 ALA H . 26031 1 262 . 1 1 21 21 ALA HA H 1 4.254 0.020 . 1 . . . A 47 ALA HA . 26031 1 263 . 1 1 21 21 ALA HB1 H 1 1.371 0.020 . 1 . . . A 47 ALA HB1 . 26031 1 264 . 1 1 21 21 ALA HB2 H 1 1.371 0.020 . 1 . . . A 47 ALA HB2 . 26031 1 265 . 1 1 21 21 ALA HB3 H 1 1.371 0.020 . 1 . . . A 47 ALA HB3 . 26031 1 266 . 1 1 21 21 ALA C C 13 178.076 0.300 . 1 . . . A 47 ALA C . 26031 1 267 . 1 1 21 21 ALA CA C 13 53.507 0.300 . 1 . . . A 47 ALA CA . 26031 1 268 . 1 1 21 21 ALA CB C 13 18.129 0.300 . 1 . . . A 47 ALA CB . 26031 1 269 . 1 1 21 21 ALA N N 15 124.605 0.300 . 1 . . . A 47 ALA N . 26031 1 270 . 1 1 22 22 THR H H 1 8.515 0.020 . 1 . . . A 48 THR H . 26031 1 271 . 1 1 22 22 THR HA H 1 4.146 0.020 . 1 . . . A 48 THR HA . 26031 1 272 . 1 1 22 22 THR HB H 1 4.091 0.020 . 1 . . . A 48 THR HB . 26031 1 273 . 1 1 22 22 THR HG21 H 1 1.183 0.020 . 1 . . . A 48 THR HG21 . 26031 1 274 . 1 1 22 22 THR HG22 H 1 1.183 0.020 . 1 . . . A 48 THR HG22 . 26031 1 275 . 1 1 22 22 THR HG23 H 1 1.183 0.020 . 1 . . . A 48 THR HG23 . 26031 1 276 . 1 1 22 22 THR C C 13 175.612 0.300 . 1 . . . A 48 THR C . 26031 1 277 . 1 1 22 22 THR CA C 13 62.417 0.300 . 1 . . . A 48 THR CA . 26031 1 278 . 1 1 22 22 THR CB C 13 68.210 0.300 . 1 . . . A 48 THR CB . 26031 1 279 . 1 1 22 22 THR CG2 C 13 22.896 0.300 . 1 . . . A 48 THR CG2 . 26031 1 280 . 1 1 22 22 THR N N 15 114.737 0.300 . 1 . . . A 48 THR N . 26031 1 281 . 1 1 23 23 ALA H H 1 7.431 0.020 . 1 . . . A 49 ALA H . 26031 1 282 . 1 1 23 23 ALA HA H 1 4.455 0.020 . 1 . . . A 49 ALA HA . 26031 1 283 . 1 1 23 23 ALA HB1 H 1 1.158 0.020 . 1 . . . A 49 ALA HB1 . 26031 1 284 . 1 1 23 23 ALA HB2 H 1 1.158 0.020 . 1 . . . A 49 ALA HB2 . 26031 1 285 . 1 1 23 23 ALA HB3 H 1 1.158 0.020 . 1 . . . A 49 ALA HB3 . 26031 1 286 . 1 1 23 23 ALA C C 13 175.168 0.300 . 1 . . . A 49 ALA C . 26031 1 287 . 1 1 23 23 ALA CA C 13 52.868 0.300 . 1 . . . A 49 ALA CA . 26031 1 288 . 1 1 23 23 ALA CB C 13 21.159 0.300 . 1 . . . A 49 ALA CB . 26031 1 289 . 1 1 23 23 ALA N N 15 122.515 0.300 . 1 . . . A 49 ALA N . 26031 1 290 . 1 1 24 24 ILE H H 1 8.130 0.020 . 1 . . . A 50 ILE H . 26031 1 291 . 1 1 24 24 ILE HA H 1 4.532 0.020 . 1 . . . A 50 ILE HA . 26031 1 292 . 1 1 24 24 ILE HB H 1 1.501 0.020 . 1 . . . A 50 ILE HB . 26031 1 293 . 1 1 24 24 ILE HG12 H 1 1.481 0.020 . 2 . . . A 50 ILE HG12 . 26031 1 294 . 1 1 24 24 ILE HG13 H 1 0.741 0.020 . 2 . . . A 50 ILE HG13 . 26031 1 295 . 1 1 24 24 ILE HG21 H 1 0.706 0.020 . 1 . . . A 50 ILE HG21 . 26031 1 296 . 1 1 24 24 ILE HG22 H 1 0.706 0.020 . 1 . . . A 50 ILE HG22 . 26031 1 297 . 1 1 24 24 ILE HG23 H 1 0.706 0.020 . 1 . . . A 50 ILE HG23 . 26031 1 298 . 1 1 24 24 ILE HD11 H 1 0.722 0.020 . 1 . . . A 50 ILE HD11 . 26031 1 299 . 1 1 24 24 ILE HD12 H 1 0.722 0.020 . 1 . . . A 50 ILE HD12 . 26031 1 300 . 1 1 24 24 ILE HD13 H 1 0.722 0.020 . 1 . . . A 50 ILE HD13 . 26031 1 301 . 1 1 24 24 ILE C C 13 174.140 0.300 . 1 . . . A 50 ILE C . 26031 1 302 . 1 1 24 24 ILE CA C 13 61.184 0.300 . 1 . . . A 50 ILE CA . 26031 1 303 . 1 1 24 24 ILE CB C 13 41.809 0.300 . 1 . . . A 50 ILE CB . 26031 1 304 . 1 1 24 24 ILE CG1 C 13 27.574 0.300 . 1 . . . A 50 ILE CG1 . 26031 1 305 . 1 1 24 24 ILE CG2 C 13 17.911 0.300 . 1 . . . A 50 ILE CG2 . 26031 1 306 . 1 1 24 24 ILE CD1 C 13 14.223 0.300 . 1 . . . A 50 ILE CD1 . 26031 1 307 . 1 1 24 24 ILE N N 15 121.551 0.300 . 1 . . . A 50 ILE N . 26031 1 308 . 1 1 25 25 LYS H H 1 9.165 0.020 . 1 . . . A 51 LYS H . 26031 1 309 . 1 1 25 25 LYS HA H 1 4.545 0.020 . 1 . . . A 51 LYS HA . 26031 1 310 . 1 1 25 25 LYS HB2 H 1 1.652 0.020 . 2 . . . A 51 LYS HB2 . 26031 1 311 . 1 1 25 25 LYS HB3 H 1 1.560 0.020 . 2 . . . A 51 LYS HB3 . 26031 1 312 . 1 1 25 25 LYS HG2 H 1 1.233 0.020 . 1 . . . A 51 LYS HG2 . 26031 1 313 . 1 1 25 25 LYS HG3 H 1 1.233 0.020 . 1 . . . A 51 LYS HG3 . 26031 1 314 . 1 1 25 25 LYS HD2 H 1 1.506 0.020 . 2 . . . A 51 LYS HD2 . 26031 1 315 . 1 1 25 25 LYS HD3 H 1 1.520 0.020 . 2 . . . A 51 LYS HD3 . 26031 1 316 . 1 1 25 25 LYS HE2 H 1 2.784 0.020 . 1 . . . A 51 LYS HE2 . 26031 1 317 . 1 1 25 25 LYS HE3 H 1 2.784 0.020 . 1 . . . A 51 LYS HE3 . 26031 1 318 . 1 1 25 25 LYS C C 13 173.919 0.300 . 1 . . . A 51 LYS C . 26031 1 319 . 1 1 25 25 LYS CA C 13 55.426 0.300 . 1 . . . A 51 LYS CA . 26031 1 320 . 1 1 25 25 LYS CB C 13 35.349 0.300 . 1 . . . A 51 LYS CB . 26031 1 321 . 1 1 25 25 LYS CG C 13 24.340 0.300 . 1 . . . A 51 LYS CG . 26031 1 322 . 1 1 25 25 LYS CD C 13 28.722 0.300 . 1 . . . A 51 LYS CD . 26031 1 323 . 1 1 25 25 LYS CE C 13 41.656 0.300 . 1 . . . A 51 LYS CE . 26031 1 324 . 1 1 25 25 LYS N N 15 129.068 0.300 . 1 . . . A 51 LYS N . 26031 1 325 . 1 1 26 26 VAL H H 1 8.504 0.020 . 1 . . . A 52 VAL H . 26031 1 326 . 1 1 26 26 VAL HA H 1 4.736 0.020 . 1 . . . A 52 VAL HA . 26031 1 327 . 1 1 26 26 VAL HB H 1 1.712 0.020 . 1 . . . A 52 VAL HB . 26031 1 328 . 1 1 26 26 VAL HG11 H 1 0.657 0.020 . 1 . . . A 52 VAL HG11 . 26031 1 329 . 1 1 26 26 VAL HG12 H 1 0.657 0.020 . 1 . . . A 52 VAL HG12 . 26031 1 330 . 1 1 26 26 VAL HG13 H 1 0.657 0.020 . 1 . . . A 52 VAL HG13 . 26031 1 331 . 1 1 26 26 VAL HG21 H 1 0.630 0.020 . 1 . . . A 52 VAL HG21 . 26031 1 332 . 1 1 26 26 VAL HG22 H 1 0.630 0.020 . 1 . . . A 52 VAL HG22 . 26031 1 333 . 1 1 26 26 VAL HG23 H 1 0.630 0.020 . 1 . . . A 52 VAL HG23 . 26031 1 334 . 1 1 26 26 VAL C C 13 174.502 0.300 . 1 . . . A 52 VAL C . 26031 1 335 . 1 1 26 26 VAL CA C 13 60.864 0.300 . 1 . . . A 52 VAL CA . 26031 1 336 . 1 1 26 26 VAL CB C 13 33.819 0.300 . 1 . . . A 52 VAL CB . 26031 1 337 . 1 1 26 26 VAL CG1 C 13 21.792 0.300 . 1 . . . A 52 VAL CG1 . 26031 1 338 . 1 1 26 26 VAL CG2 C 13 21.581 0.300 . 1 . . . A 52 VAL CG2 . 26031 1 339 . 1 1 26 26 VAL N N 15 128.257 0.300 . 1 . . . A 52 VAL N . 26031 1 340 . 1 1 27 27 THR H H 1 8.855 0.020 . 1 . . . A 53 THR H . 26031 1 341 . 1 1 27 27 THR HA H 1 4.788 0.020 . 1 . . . A 53 THR HA . 26031 1 342 . 1 1 27 27 THR HB H 1 3.780 0.020 . 1 . . . A 53 THR HB . 26031 1 343 . 1 1 27 27 THR HG21 H 1 1.091 0.020 . 1 . . . A 53 THR HG21 . 26031 1 344 . 1 1 27 27 THR HG22 H 1 1.091 0.020 . 1 . . . A 53 THR HG22 . 26031 1 345 . 1 1 27 27 THR HG23 H 1 1.091 0.020 . 1 . . . A 53 THR HG23 . 26031 1 346 . 1 1 27 27 THR C C 13 173.526 0.300 . 1 . . . A 53 THR C . 26031 1 347 . 1 1 27 27 THR CA C 13 60.532 0.300 . 1 . . . A 53 THR CA . 26031 1 348 . 1 1 27 27 THR CB C 13 71.567 0.300 . 1 . . . A 53 THR CB . 26031 1 349 . 1 1 27 27 THR CG2 C 13 21.155 0.300 . 1 . . . A 53 THR CG2 . 26031 1 350 . 1 1 27 27 THR N N 15 121.708 0.300 . 1 . . . A 53 THR N . 26031 1 351 . 1 1 28 28 ASP H H 1 11.385 0.020 . 1 . . . A 54 ASP H . 26031 1 352 . 1 1 28 28 ASP HA H 1 4.404 0.020 . 1 . . . A 54 ASP HA . 26031 1 353 . 1 1 28 28 ASP HB2 H 1 2.940 0.020 . 2 . . . A 54 ASP HB2 . 26031 1 354 . 1 1 28 28 ASP HB3 H 1 2.323 0.020 . 2 . . . A 54 ASP HB3 . 26031 1 355 . 1 1 28 28 ASP C C 13 176.566 0.300 . 1 . . . A 54 ASP C . 26031 1 356 . 1 1 28 28 ASP CA C 13 54.463 0.300 . 1 . . . A 54 ASP CA . 26031 1 357 . 1 1 28 28 ASP CB C 13 39.418 0.300 . 1 . . . A 54 ASP CB . 26031 1 358 . 1 1 28 28 ASP N N 15 130.748 0.300 . 1 . . . A 54 ASP N . 26031 1 359 . 1 1 29 29 ILE H H 1 7.937 0.020 . 1 . . . A 55 ILE H . 26031 1 360 . 1 1 29 29 ILE HA H 1 4.652 0.020 . 1 . . . A 55 ILE HA . 26031 1 361 . 1 1 29 29 ILE HB H 1 2.107 0.020 . 1 . . . A 55 ILE HB . 26031 1 362 . 1 1 29 29 ILE HG12 H 1 0.910 0.020 . 2 . . . A 55 ILE HG12 . 26031 1 363 . 1 1 29 29 ILE HG13 H 1 0.549 0.020 . 2 . . . A 55 ILE HG13 . 26031 1 364 . 1 1 29 29 ILE HG21 H 1 0.772 0.020 . 1 . . . A 55 ILE HG21 . 26031 1 365 . 1 1 29 29 ILE HG22 H 1 0.772 0.020 . 1 . . . A 55 ILE HG22 . 26031 1 366 . 1 1 29 29 ILE HG23 H 1 0.772 0.020 . 1 . . . A 55 ILE HG23 . 26031 1 367 . 1 1 29 29 ILE HD11 H 1 0.713 0.020 . 1 . . . A 55 ILE HD11 . 26031 1 368 . 1 1 29 29 ILE HD12 H 1 0.713 0.020 . 1 . . . A 55 ILE HD12 . 26031 1 369 . 1 1 29 29 ILE HD13 H 1 0.713 0.020 . 1 . . . A 55 ILE HD13 . 26031 1 370 . 1 1 29 29 ILE C C 13 175.057 0.300 . 1 . . . A 55 ILE C . 26031 1 371 . 1 1 29 29 ILE CA C 13 61.001 0.300 . 1 . . . A 55 ILE CA . 26031 1 372 . 1 1 29 29 ILE CB C 13 36.276 0.300 . 1 . . . A 55 ILE CB . 26031 1 373 . 1 1 29 29 ILE CG1 C 13 26.121 0.300 . 1 . . . A 55 ILE CG1 . 26031 1 374 . 1 1 29 29 ILE CG2 C 13 17.499 0.300 . 1 . . . A 55 ILE CG2 . 26031 1 375 . 1 1 29 29 ILE CD1 C 13 13.510 0.300 . 1 . . . A 55 ILE CD1 . 26031 1 376 . 1 1 29 29 ILE N N 15 123.664 0.300 . 1 . . . A 55 ILE N . 26031 1 377 . 1 1 30 30 SER H H 1 9.400 0.020 . 1 . . . A 56 SER H . 26031 1 378 . 1 1 30 30 SER HA H 1 4.662 0.020 . 1 . . . A 56 SER HA . 26031 1 379 . 1 1 30 30 SER HB2 H 1 4.136 0.020 . 2 . . . A 56 SER HB2 . 26031 1 380 . 1 1 30 30 SER HB3 H 1 3.396 0.020 . 2 . . . A 56 SER HB3 . 26031 1 381 . 1 1 30 30 SER C C 13 175.119 0.300 . 1 . . . A 56 SER C . 26031 1 382 . 1 1 30 30 SER CA C 13 56.523 0.300 . 1 . . . A 56 SER CA . 26031 1 383 . 1 1 30 30 SER CB C 13 64.537 0.300 . 1 . . . A 56 SER CB . 26031 1 384 . 1 1 30 30 SER N N 15 117.981 0.300 . 1 . . . A 56 SER N . 26031 1 385 . 1 1 31 31 GLY H H 1 8.516 0.020 . 1 . . . A 57 GLY H . 26031 1 386 . 1 1 31 31 GLY HA2 H 1 3.915 0.020 . 2 . . . A 57 GLY HA2 . 26031 1 387 . 1 1 31 31 GLY HA3 H 1 3.688 0.020 . 2 . . . A 57 GLY HA3 . 26031 1 388 . 1 1 31 31 GLY C C 13 175.080 0.300 . 1 . . . A 57 GLY C . 26031 1 389 . 1 1 31 31 GLY CA C 13 46.060 0.300 . 1 . . . A 57 GLY CA . 26031 1 390 . 1 1 31 31 GLY N N 15 111.641 0.300 . 1 . . . A 57 GLY N . 26031 1 391 . 1 1 32 32 GLY H H 1 7.661 0.020 . 1 . . . A 58 GLY H . 26031 1 392 . 1 1 32 32 GLY HA2 H 1 4.247 0.020 . 2 . . . A 58 GLY HA2 . 26031 1 393 . 1 1 32 32 GLY HA3 H 1 3.407 0.020 . 2 . . . A 58 GLY HA3 . 26031 1 394 . 1 1 32 32 GLY C C 13 174.502 0.300 . 1 . . . A 58 GLY C . 26031 1 395 . 1 1 32 32 GLY CA C 13 45.570 0.300 . 1 . . . A 58 GLY CA . 26031 1 396 . 1 1 32 32 GLY N N 15 106.115 0.300 . 1 . . . A 58 GLY N . 26031 1 397 . 1 1 33 33 CYS H H 1 7.020 0.020 . 1 . . . A 59 CYS H . 26031 1 398 . 1 1 33 33 CYS HA H 1 4.473 0.020 . 1 . . . A 59 CYS HA . 26031 1 399 . 1 1 33 33 CYS HB2 H 1 2.912 0.020 . 2 . . . A 59 CYS HB2 . 26031 1 400 . 1 1 33 33 CYS HB3 H 1 2.834 0.020 . 2 . . . A 59 CYS HB3 . 26031 1 401 . 1 1 33 33 CYS C C 13 175.368 0.300 . 1 . . . A 59 CYS C . 26031 1 402 . 1 1 33 33 CYS CA C 13 58.541 0.300 . 1 . . . A 59 CYS CA . 26031 1 403 . 1 1 33 33 CYS CB C 13 27.770 0.300 . 1 . . . A 59 CYS CB . 26031 1 404 . 1 1 33 33 CYS N N 15 114.761 0.300 . 1 . . . A 59 CYS N . 26031 1 405 . 1 1 34 34 GLY H H 1 9.370 0.020 . 1 . . . A 60 GLY H . 26031 1 406 . 1 1 34 34 GLY HA2 H 1 3.767 0.020 . 2 . . . A 60 GLY HA2 . 26031 1 407 . 1 1 34 34 GLY HA3 H 1 3.185 0.020 . 2 . . . A 60 GLY HA3 . 26031 1 408 . 1 1 34 34 GLY C C 13 172.663 0.300 . 1 . . . A 60 GLY C . 26031 1 409 . 1 1 34 34 GLY CA C 13 45.436 0.300 . 1 . . . A 60 GLY CA . 26031 1 410 . 1 1 34 34 GLY N N 15 113.138 0.300 . 1 . . . A 60 GLY N . 26031 1 411 . 1 1 35 35 ALA H H 1 7.730 0.020 . 1 . . . A 61 ALA H . 26031 1 412 . 1 1 35 35 ALA HA H 1 4.216 0.020 . 1 . . . A 61 ALA HA . 26031 1 413 . 1 1 35 35 ALA HB1 H 1 1.186 0.020 . 1 . . . A 61 ALA HB1 . 26031 1 414 . 1 1 35 35 ALA HB2 H 1 1.186 0.020 . 1 . . . A 61 ALA HB2 . 26031 1 415 . 1 1 35 35 ALA HB3 H 1 1.186 0.020 . 1 . . . A 61 ALA HB3 . 26031 1 416 . 1 1 35 35 ALA C C 13 177.156 0.300 . 1 . . . A 61 ALA C . 26031 1 417 . 1 1 35 35 ALA CA C 13 52.548 0.300 . 1 . . . A 61 ALA CA . 26031 1 418 . 1 1 35 35 ALA CB C 13 19.803 0.300 . 1 . . . A 61 ALA CB . 26031 1 419 . 1 1 35 35 ALA N N 15 120.750 0.300 . 1 . . . A 61 ALA N . 26031 1 420 . 1 1 36 36 MET H H 1 7.077 0.020 . 1 . . . A 62 MET H . 26031 1 421 . 1 1 36 36 MET HA H 1 4.854 0.020 . 1 . . . A 62 MET HA . 26031 1 422 . 1 1 36 36 MET HB2 H 1 1.561 0.020 . 1 . . . A 62 MET HB2 . 26031 1 423 . 1 1 36 36 MET HB3 H 1 1.561 0.020 . 1 . . . A 62 MET HB3 . 26031 1 424 . 1 1 36 36 MET HG2 H 1 2.251 0.020 . 2 . . . A 62 MET HG2 . 26031 1 425 . 1 1 36 36 MET HG3 H 1 2.084 0.020 . 2 . . . A 62 MET HG3 . 26031 1 426 . 1 1 36 36 MET HE1 H 1 1.870 0.020 . 1 . . . A 62 MET HE1 . 26031 1 427 . 1 1 36 36 MET HE2 H 1 1.870 0.020 . 1 . . . A 62 MET HE2 . 26031 1 428 . 1 1 36 36 MET HE3 H 1 1.870 0.020 . 1 . . . A 62 MET HE3 . 26031 1 429 . 1 1 36 36 MET C C 13 173.703 0.300 . 1 . . . A 62 MET C . 26031 1 430 . 1 1 36 36 MET CA C 13 54.507 0.300 . 1 . . . A 62 MET CA . 26031 1 431 . 1 1 36 36 MET CB C 13 36.533 0.300 . 1 . . . A 62 MET CB . 26031 1 432 . 1 1 36 36 MET CG C 13 31.390 0.300 . 1 . . . A 62 MET CG . 26031 1 433 . 1 1 36 36 MET CE C 13 16.618 0.300 . 1 . . . A 62 MET CE . 26031 1 434 . 1 1 36 36 MET N N 15 114.614 0.300 . 1 . . . A 62 MET N . 26031 1 435 . 1 1 37 37 TYR H H 1 7.568 0.020 . 1 . . . A 63 TYR H . 26031 1 436 . 1 1 37 37 TYR HA H 1 5.265 0.020 . 1 . . . A 63 TYR HA . 26031 1 437 . 1 1 37 37 TYR HB2 H 1 2.529 0.020 . 2 . . . A 63 TYR HB2 . 26031 1 438 . 1 1 37 37 TYR HB3 H 1 2.342 0.020 . 2 . . . A 63 TYR HB3 . 26031 1 439 . 1 1 37 37 TYR HD1 H 1 6.581 0.020 . 1 . . . A 63 TYR HD1 . 26031 1 440 . 1 1 37 37 TYR HD2 H 1 6.581 0.020 . 1 . . . A 63 TYR HD2 . 26031 1 441 . 1 1 37 37 TYR HE1 H 1 6.361 0.020 . 1 . . . A 63 TYR HE1 . 26031 1 442 . 1 1 37 37 TYR HE2 H 1 6.361 0.020 . 1 . . . A 63 TYR HE2 . 26031 1 443 . 1 1 37 37 TYR C C 13 173.969 0.300 . 1 . . . A 63 TYR C . 26031 1 444 . 1 1 37 37 TYR CA C 13 56.523 0.300 . 1 . . . A 63 TYR CA . 26031 1 445 . 1 1 37 37 TYR CB C 13 42.229 0.300 . 1 . . . A 63 TYR CB . 26031 1 446 . 1 1 37 37 TYR N N 15 118.752 0.300 . 1 . . . A 63 TYR N . 26031 1 447 . 1 1 38 38 GLU H H 1 9.509 0.020 . 1 . . . A 64 GLU H . 26031 1 448 . 1 1 38 38 GLU HA H 1 5.245 0.020 . 1 . . . A 64 GLU HA . 26031 1 449 . 1 1 38 38 GLU HB2 H 1 2.002 0.020 . 2 . . . A 64 GLU HB2 . 26031 1 450 . 1 1 38 38 GLU HB3 H 1 2.044 0.020 . 2 . . . A 64 GLU HB3 . 26031 1 451 . 1 1 38 38 GLU HG2 H 1 2.205 0.020 . 2 . . . A 64 GLU HG2 . 26031 1 452 . 1 1 38 38 GLU HG3 H 1 1.875 0.020 . 2 . . . A 64 GLU HG3 . 26031 1 453 . 1 1 38 38 GLU C C 13 175.035 0.300 . 1 . . . A 64 GLU C . 26031 1 454 . 1 1 38 38 GLU CA C 13 54.650 0.300 . 1 . . . A 64 GLU CA . 26031 1 455 . 1 1 38 38 GLU CB C 13 32.466 0.300 . 1 . . . A 64 GLU CB . 26031 1 456 . 1 1 38 38 GLU CG C 13 38.126 0.300 . 1 . . . A 64 GLU CG . 26031 1 457 . 1 1 38 38 GLU N N 15 122.144 0.300 . 1 . . . A 64 GLU N . 26031 1 458 . 1 1 39 39 ILE H H 1 9.125 0.020 . 1 . . . A 65 ILE H . 26031 1 459 . 1 1 39 39 ILE HA H 1 4.607 0.020 . 1 . . . A 65 ILE HA . 26031 1 460 . 1 1 39 39 ILE HB H 1 1.577 0.020 . 1 . . . A 65 ILE HB . 26031 1 461 . 1 1 39 39 ILE HG12 H 1 1.207 0.020 . 2 . . . A 65 ILE HG12 . 26031 1 462 . 1 1 39 39 ILE HG13 H 1 1.009 0.020 . 2 . . . A 65 ILE HG13 . 26031 1 463 . 1 1 39 39 ILE HG21 H 1 0.559 0.020 . 1 . . . A 65 ILE HG21 . 26031 1 464 . 1 1 39 39 ILE HG22 H 1 0.559 0.020 . 1 . . . A 65 ILE HG22 . 26031 1 465 . 1 1 39 39 ILE HG23 H 1 0.559 0.020 . 1 . . . A 65 ILE HG23 . 26031 1 466 . 1 1 39 39 ILE HD11 H 1 0.520 0.020 . 1 . . . A 65 ILE HD11 . 26031 1 467 . 1 1 39 39 ILE HD12 H 1 0.520 0.020 . 1 . . . A 65 ILE HD12 . 26031 1 468 . 1 1 39 39 ILE HD13 H 1 0.520 0.020 . 1 . . . A 65 ILE HD13 . 26031 1 469 . 1 1 39 39 ILE C C 13 173.304 0.300 . 1 . . . A 65 ILE C . 26031 1 470 . 1 1 39 39 ILE CA C 13 59.082 0.300 . 1 . . . A 65 ILE CA . 26031 1 471 . 1 1 39 39 ILE CB C 13 40.172 0.300 . 1 . . . A 65 ILE CB . 26031 1 472 . 1 1 39 39 ILE CG1 C 13 27.112 0.300 . 1 . . . A 65 ILE CG1 . 26031 1 473 . 1 1 39 39 ILE CG2 C 13 17.472 0.300 . 1 . . . A 65 ILE CG2 . 26031 1 474 . 1 1 39 39 ILE CD1 C 13 14.098 0.300 . 1 . . . A 65 ILE CD1 . 26031 1 475 . 1 1 39 39 ILE N N 15 128.373 0.300 . 1 . . . A 65 ILE N . 26031 1 476 . 1 1 40 40 LYS H H 1 8.990 0.020 . 1 . . . A 66 LYS H . 26031 1 477 . 1 1 40 40 LYS HA H 1 5.516 0.020 . 1 . . . A 66 LYS HA . 26031 1 478 . 1 1 40 40 LYS HB2 H 1 1.639 0.020 . 2 . . . A 66 LYS HB2 . 26031 1 479 . 1 1 40 40 LYS HB3 H 1 1.666 0.020 . 2 . . . A 66 LYS HB3 . 26031 1 480 . 1 1 40 40 LYS HG2 H 1 1.317 0.020 . 2 . . . A 66 LYS HG2 . 26031 1 481 . 1 1 40 40 LYS HG3 H 1 1.138 0.020 . 2 . . . A 66 LYS HG3 . 26031 1 482 . 1 1 40 40 LYS HD2 H 1 1.360 0.020 . 2 . . . A 66 LYS HD2 . 26031 1 483 . 1 1 40 40 LYS HD3 H 1 1.382 0.020 . 2 . . . A 66 LYS HD3 . 26031 1 484 . 1 1 40 40 LYS HE2 H 1 2.476 0.020 . 2 . . . A 66 LYS HE2 . 26031 1 485 . 1 1 40 40 LYS HE3 H 1 2.354 0.020 . 2 . . . A 66 LYS HE3 . 26031 1 486 . 1 1 40 40 LYS C C 13 175.346 0.300 . 1 . . . A 66 LYS C . 26031 1 487 . 1 1 40 40 LYS CA C 13 54.330 0.300 . 1 . . . A 66 LYS CA . 26031 1 488 . 1 1 40 40 LYS CB C 13 33.857 0.300 . 1 . . . A 66 LYS CB . 26031 1 489 . 1 1 40 40 LYS CG C 13 24.943 0.300 . 1 . . . A 66 LYS CG . 26031 1 490 . 1 1 40 40 LYS CD C 13 29.330 0.300 . 1 . . . A 66 LYS CD . 26031 1 491 . 1 1 40 40 LYS CE C 13 41.344 0.300 . 1 . . . A 66 LYS CE . 26031 1 492 . 1 1 40 40 LYS N N 15 126.873 0.300 . 1 . . . A 66 LYS N . 26031 1 493 . 1 1 41 41 ILE H H 1 8.292 0.020 . 1 . . . A 67 ILE H . 26031 1 494 . 1 1 41 41 ILE HA H 1 4.904 0.020 . 1 . . . A 67 ILE HA . 26031 1 495 . 1 1 41 41 ILE HB H 1 1.404 0.020 . 1 . . . A 67 ILE HB . 26031 1 496 . 1 1 41 41 ILE HG12 H 1 0.726 0.020 . 2 . . . A 67 ILE HG12 . 26031 1 497 . 1 1 41 41 ILE HG13 H 1 1.430 0.020 . 2 . . . A 67 ILE HG13 . 26031 1 498 . 1 1 41 41 ILE HG21 H 1 0.607 0.020 . 1 . . . A 67 ILE HG21 . 26031 1 499 . 1 1 41 41 ILE HG22 H 1 0.607 0.020 . 1 . . . A 67 ILE HG22 . 26031 1 500 . 1 1 41 41 ILE HG23 H 1 0.607 0.020 . 1 . . . A 67 ILE HG23 . 26031 1 501 . 1 1 41 41 ILE HD11 H 1 0.295 0.020 . 1 . . . A 67 ILE HD11 . 26031 1 502 . 1 1 41 41 ILE HD12 H 1 0.295 0.020 . 1 . . . A 67 ILE HD12 . 26031 1 503 . 1 1 41 41 ILE HD13 H 1 0.295 0.020 . 1 . . . A 67 ILE HD13 . 26031 1 504 . 1 1 41 41 ILE C C 13 172.593 0.300 . 1 . . . A 67 ILE C . 26031 1 505 . 1 1 41 41 ILE CA C 13 59.301 0.300 . 1 . . . A 67 ILE CA . 26031 1 506 . 1 1 41 41 ILE CB C 13 41.682 0.300 . 1 . . . A 67 ILE CB . 26031 1 507 . 1 1 41 41 ILE CG1 C 13 26.989 0.300 . 1 . . . A 67 ILE CG1 . 26031 1 508 . 1 1 41 41 ILE CG2 C 13 16.131 0.300 . 1 . . . A 67 ILE CG2 . 26031 1 509 . 1 1 41 41 ILE CD1 C 13 14.971 0.300 . 1 . . . A 67 ILE CD1 . 26031 1 510 . 1 1 41 41 ILE N N 15 121.723 0.300 . 1 . . . A 67 ILE N . 26031 1 511 . 1 1 42 42 GLU H H 1 8.577 0.020 . 1 . . . A 68 GLU H . 26031 1 512 . 1 1 42 42 GLU HA H 1 5.271 0.020 . 1 . . . A 68 GLU HA . 26031 1 513 . 1 1 42 42 GLU HB2 H 1 1.816 0.020 . 2 . . . A 68 GLU HB2 . 26031 1 514 . 1 1 42 42 GLU HB3 H 1 1.655 0.020 . 2 . . . A 68 GLU HB3 . 26031 1 515 . 1 1 42 42 GLU HG2 H 1 1.749 0.020 . 2 . . . A 68 GLU HG2 . 26031 1 516 . 1 1 42 42 GLU HG3 H 1 1.700 0.020 . 2 . . . A 68 GLU HG3 . 26031 1 517 . 1 1 42 42 GLU C C 13 175.745 0.300 . 1 . . . A 68 GLU C . 26031 1 518 . 1 1 42 42 GLU CA C 13 53.325 0.300 . 1 . . . A 68 GLU CA . 26031 1 519 . 1 1 42 42 GLU CB C 13 32.772 0.300 . 1 . . . A 68 GLU CB . 26031 1 520 . 1 1 42 42 GLU CG C 13 36.349 0.300 . 1 . . . A 68 GLU CG . 26031 1 521 . 1 1 42 42 GLU N N 15 129.053 0.300 . 1 . . . A 68 GLU N . 26031 1 522 . 1 1 43 43 SER H H 1 8.743 0.020 . 1 . . . A 69 SER H . 26031 1 523 . 1 1 43 43 SER HA H 1 4.672 0.020 . 1 . . . A 69 SER HA . 26031 1 524 . 1 1 43 43 SER HB2 H 1 3.358 0.020 . 2 . . . A 69 SER HB2 . 26031 1 525 . 1 1 43 43 SER HB3 H 1 2.689 0.020 . 2 . . . A 69 SER HB3 . 26031 1 526 . 1 1 43 43 SER C C 13 175.271 0.300 . 1 . . . A 69 SER C . 26031 1 527 . 1 1 43 43 SER CA C 13 57.391 0.300 . 1 . . . A 69 SER CA . 26031 1 528 . 1 1 43 43 SER CB C 13 62.943 0.300 . 1 . . . A 69 SER CB . 26031 1 529 . 1 1 43 43 SER N N 15 115.327 0.300 . 1 . . . A 69 SER N . 26031 1 530 . 1 1 44 44 GLU H H 1 9.744 0.020 . 1 . . . A 70 GLU H . 26031 1 531 . 1 1 44 44 GLU HA H 1 4.055 0.020 . 1 . . . A 70 GLU HA . 26031 1 532 . 1 1 44 44 GLU HB2 H 1 1.960 0.020 . 2 . . . A 70 GLU HB2 . 26031 1 533 . 1 1 44 44 GLU HB3 H 1 2.013 0.020 . 2 . . . A 70 GLU HB3 . 26031 1 534 . 1 1 44 44 GLU HG2 H 1 2.211 0.020 . 2 . . . A 70 GLU HG2 . 26031 1 535 . 1 1 44 44 GLU HG3 H 1 2.151 0.020 . 2 . . . A 70 GLU HG3 . 26031 1 536 . 1 1 44 44 GLU C C 13 177.987 0.300 . 1 . . . A 70 GLU C . 26031 1 537 . 1 1 44 44 GLU CA C 13 58.657 0.300 . 1 . . . A 70 GLU CA . 26031 1 538 . 1 1 44 44 GLU CB C 13 29.161 0.300 . 1 . . . A 70 GLU CB . 26031 1 539 . 1 1 44 44 GLU CG C 13 35.638 0.300 . 1 . . . A 70 GLU CG . 26031 1 540 . 1 1 44 44 GLU N N 15 129.533 0.300 . 1 . . . A 70 GLU N . 26031 1 541 . 1 1 45 45 GLU H H 1 8.999 0.020 . 1 . . . A 71 GLU H . 26031 1 542 . 1 1 45 45 GLU HA H 1 3.932 0.020 . 1 . . . A 71 GLU HA . 26031 1 543 . 1 1 45 45 GLU HB2 H 1 1.654 0.020 . 2 . . . A 71 GLU HB2 . 26031 1 544 . 1 1 45 45 GLU HB3 H 1 1.579 0.020 . 2 . . . A 71 GLU HB3 . 26031 1 545 . 1 1 45 45 GLU HG2 H 1 1.902 0.020 . 2 . . . A 71 GLU HG2 . 26031 1 546 . 1 1 45 45 GLU HG3 H 1 1.656 0.020 . 2 . . . A 71 GLU HG3 . 26031 1 547 . 1 1 45 45 GLU C C 13 176.098 0.300 . 1 . . . A 71 GLU C . 26031 1 548 . 1 1 45 45 GLU CA C 13 57.939 0.300 . 1 . . . A 71 GLU CA . 26031 1 549 . 1 1 45 45 GLU CB C 13 28.561 0.300 . 1 . . . A 71 GLU CB . 26031 1 550 . 1 1 45 45 GLU CG C 13 36.683 0.300 . 1 . . . A 71 GLU CG . 26031 1 551 . 1 1 45 45 GLU N N 15 119.504 0.300 . 1 . . . A 71 GLU N . 26031 1 552 . 1 1 46 46 PHE H H 1 6.983 0.020 . 1 . . . A 72 PHE H . 26031 1 553 . 1 1 46 46 PHE HA H 1 4.529 0.020 . 1 . . . A 72 PHE HA . 26031 1 554 . 1 1 46 46 PHE HB2 H 1 3.244 0.020 . 2 . . . A 72 PHE HB2 . 26031 1 555 . 1 1 46 46 PHE HB3 H 1 2.835 0.020 . 2 . . . A 72 PHE HB3 . 26031 1 556 . 1 1 46 46 PHE HD1 H 1 7.240 0.020 . 1 . . . A 72 PHE HD1 . 26031 1 557 . 1 1 46 46 PHE HD2 H 1 7.240 0.020 . 1 . . . A 72 PHE HD2 . 26031 1 558 . 1 1 46 46 PHE HE1 H 1 7.095 0.020 . 1 . . . A 72 PHE HE1 . 26031 1 559 . 1 1 46 46 PHE HE2 H 1 7.095 0.020 . 1 . . . A 72 PHE HE2 . 26031 1 560 . 1 1 46 46 PHE HZ H 1 6.240 0.020 . 1 . . . A 72 PHE HZ . 26031 1 561 . 1 1 46 46 PHE C C 13 175.140 0.300 . 1 . . . A 72 PHE C . 26031 1 562 . 1 1 46 46 PHE CA C 13 55.493 0.300 . 1 . . . A 72 PHE CA . 26031 1 563 . 1 1 46 46 PHE CB C 13 37.633 0.300 . 1 . . . A 72 PHE CB . 26031 1 564 . 1 1 46 46 PHE N N 15 115.889 0.300 . 1 . . . A 72 PHE N . 26031 1 565 . 1 1 47 47 LYS H H 1 7.501 0.020 . 1 . . . A 73 LYS H . 26031 1 566 . 1 1 47 47 LYS HA H 1 3.900 0.020 . 1 . . . A 73 LYS HA . 26031 1 567 . 1 1 47 47 LYS HB2 H 1 1.840 0.020 . 1 . . . A 73 LYS HB2 . 26031 1 568 . 1 1 47 47 LYS HB3 H 1 1.840 0.020 . 1 . . . A 73 LYS HB3 . 26031 1 569 . 1 1 47 47 LYS HG2 H 1 1.485 0.020 . 1 . . . A 73 LYS HG2 . 26031 1 570 . 1 1 47 47 LYS HG3 H 1 1.485 0.020 . 1 . . . A 73 LYS HG3 . 26031 1 571 . 1 1 47 47 LYS HD2 H 1 1.684 0.020 . 2 . . . A 73 LYS HD2 . 26031 1 572 . 1 1 47 47 LYS HD3 H 1 1.669 0.020 . 2 . . . A 73 LYS HD3 . 26031 1 573 . 1 1 47 47 LYS HE2 H 1 2.802 0.020 . 2 . . . A 73 LYS HE2 . 26031 1 574 . 1 1 47 47 LYS HE3 H 1 2.897 0.020 . 2 . . . A 73 LYS HE3 . 26031 1 575 . 1 1 47 47 LYS C C 13 176.137 0.300 . 1 . . . A 73 LYS C . 26031 1 576 . 1 1 47 47 LYS CA C 13 58.442 0.300 . 1 . . . A 73 LYS CA . 26031 1 577 . 1 1 47 47 LYS CB C 13 32.609 0.300 . 1 . . . A 73 LYS CB . 26031 1 578 . 1 1 47 47 LYS CG C 13 25.203 0.300 . 1 . . . A 73 LYS CG . 26031 1 579 . 1 1 47 47 LYS CD C 13 29.719 0.300 . 1 . . . A 73 LYS CD . 26031 1 580 . 1 1 47 47 LYS CE C 13 41.365 0.300 . 1 . . . A 73 LYS CE . 26031 1 581 . 1 1 47 47 LYS N N 15 120.336 0.300 . 1 . . . A 73 LYS N . 26031 1 582 . 1 1 48 48 GLU H H 1 8.745 0.020 . 1 . . . A 74 GLU H . 26031 1 583 . 1 1 48 48 GLU HA H 1 3.904 0.020 . 1 . . . A 74 GLU HA . 26031 1 584 . 1 1 48 48 GLU HB2 H 1 2.218 0.020 . 2 . . . A 74 GLU HB2 . 26031 1 585 . 1 1 48 48 GLU HB3 H 1 2.015 0.020 . 2 . . . A 74 GLU HB3 . 26031 1 586 . 1 1 48 48 GLU HG2 H 1 2.144 0.020 . 2 . . . A 74 GLU HG2 . 26031 1 587 . 1 1 48 48 GLU HG3 H 1 2.131 0.020 . 2 . . . A 74 GLU HG3 . 26031 1 588 . 1 1 48 48 GLU C C 13 175.048 0.300 . 1 . . . A 74 GLU C . 26031 1 589 . 1 1 48 48 GLU CA C 13 57.117 0.300 . 1 . . . A 74 GLU CA . 26031 1 590 . 1 1 48 48 GLU CB C 13 27.154 0.300 . 1 . . . A 74 GLU CB . 26031 1 591 . 1 1 48 48 GLU CG C 13 36.365 0.300 . 1 . . . A 74 GLU CG . 26031 1 592 . 1 1 48 48 GLU N N 15 115.890 0.300 . 1 . . . A 74 GLU N . 26031 1 593 . 1 1 49 49 LYS H H 1 7.440 0.020 . 1 . . . A 75 LYS H . 26031 1 594 . 1 1 49 49 LYS HA H 1 4.612 0.020 . 1 . . . A 75 LYS HA . 26031 1 595 . 1 1 49 49 LYS HB2 H 1 1.791 0.020 . 2 . . . A 75 LYS HB2 . 26031 1 596 . 1 1 49 49 LYS HB3 H 1 1.607 0.020 . 2 . . . A 75 LYS HB3 . 26031 1 597 . 1 1 49 49 LYS HG2 H 1 1.448 0.020 . 2 . . . A 75 LYS HG2 . 26031 1 598 . 1 1 49 49 LYS HG3 H 1 1.340 0.020 . 2 . . . A 75 LYS HG3 . 26031 1 599 . 1 1 49 49 LYS HD2 H 1 1.508 0.020 . 2 . . . A 75 LYS HD2 . 26031 1 600 . 1 1 49 49 LYS HD3 H 1 1.490 0.020 . 2 . . . A 75 LYS HD3 . 26031 1 601 . 1 1 49 49 LYS HE2 H 1 2.997 0.020 . 1 . . . A 75 LYS HE2 . 26031 1 602 . 1 1 49 49 LYS HE3 H 1 2.997 0.020 . 1 . . . A 75 LYS HE3 . 26031 1 603 . 1 1 49 49 LYS C C 13 176.881 0.300 . 1 . . . A 75 LYS C . 26031 1 604 . 1 1 49 49 LYS CA C 13 53.781 0.300 . 1 . . . A 75 LYS CA . 26031 1 605 . 1 1 49 49 LYS CB C 13 34.664 0.300 . 1 . . . A 75 LYS CB . 26031 1 606 . 1 1 49 49 LYS CG C 13 24.651 0.300 . 1 . . . A 75 LYS CG . 26031 1 607 . 1 1 49 49 LYS CD C 13 28.796 0.300 . 1 . . . A 75 LYS CD . 26031 1 608 . 1 1 49 49 LYS CE C 13 42.235 0.300 . 1 . . . A 75 LYS CE . 26031 1 609 . 1 1 49 49 LYS N N 15 117.415 0.300 . 1 . . . A 75 LYS N . 26031 1 610 . 1 1 50 50 ARG H H 1 8.792 0.020 . 1 . . . A 76 ARG H . 26031 1 611 . 1 1 50 50 ARG HA H 1 4.347 0.020 . 1 . . . A 76 ARG HA . 26031 1 612 . 1 1 50 50 ARG HB2 H 1 2.109 0.020 . 2 . . . A 76 ARG HB2 . 26031 1 613 . 1 1 50 50 ARG HB3 H 1 1.610 0.020 . 2 . . . A 76 ARG HB3 . 26031 1 614 . 1 1 50 50 ARG HG2 H 1 1.693 0.020 . 2 . . . A 76 ARG HG2 . 26031 1 615 . 1 1 50 50 ARG HG3 H 1 1.735 0.020 . 2 . . . A 76 ARG HG3 . 26031 1 616 . 1 1 50 50 ARG HD2 H 1 3.156 0.020 . 1 . . . A 76 ARG HD2 . 26031 1 617 . 1 1 50 50 ARG HD3 H 1 3.156 0.020 . 1 . . . A 76 ARG HD3 . 26031 1 618 . 1 1 50 50 ARG C C 13 178.209 0.300 . 1 . . . A 76 ARG C . 26031 1 619 . 1 1 50 50 ARG CA C 13 55.381 0.300 . 1 . . . A 76 ARG CA . 26031 1 620 . 1 1 50 50 ARG CB C 13 30.540 0.300 . 1 . . . A 76 ARG CB . 26031 1 621 . 1 1 50 50 ARG CG C 13 26.718 0.300 . 1 . . . A 76 ARG CG . 26031 1 622 . 1 1 50 50 ARG CD C 13 42.508 0.300 . 1 . . . A 76 ARG CD . 26031 1 623 . 1 1 50 50 ARG N N 15 122.653 0.300 . 1 . . . A 76 ARG N . 26031 1 624 . 1 1 51 51 THR HA H 1 3.819 0.020 . 1 . . . A 77 THR HA . 26031 1 625 . 1 1 51 51 THR HB H 1 3.179 0.020 . 1 . . . A 77 THR HB . 26031 1 626 . 1 1 51 51 THR HG21 H 1 0.608 0.020 . 1 . . . A 77 THR HG21 . 26031 1 627 . 1 1 51 51 THR HG22 H 1 0.608 0.020 . 1 . . . A 77 THR HG22 . 26031 1 628 . 1 1 51 51 THR HG23 H 1 0.608 0.020 . 1 . . . A 77 THR HG23 . 26031 1 629 . 1 1 51 51 THR C C 13 175.434 0.300 . 1 . . . A 77 THR C . 26031 1 630 . 1 1 51 51 THR CA C 13 67.427 0.300 . 1 . . . A 77 THR CA . 26031 1 631 . 1 1 51 51 THR CB C 13 67.981 0.300 . 1 . . . A 77 THR CB . 26031 1 632 . 1 1 51 51 THR CG2 C 13 21.222 0.300 . 1 . . . A 77 THR CG2 . 26031 1 633 . 1 1 52 52 VAL H H 1 8.291 0.020 . 1 . . . A 78 VAL H . 26031 1 634 . 1 1 52 52 VAL HA H 1 3.607 0.020 . 1 . . . A 78 VAL HA . 26031 1 635 . 1 1 52 52 VAL HB H 1 1.850 0.020 . 1 . . . A 78 VAL HB . 26031 1 636 . 1 1 52 52 VAL HG11 H 1 0.806 0.020 . 1 . . . A 78 VAL HG11 . 26031 1 637 . 1 1 52 52 VAL HG12 H 1 0.806 0.020 . 1 . . . A 78 VAL HG12 . 26031 1 638 . 1 1 52 52 VAL HG13 H 1 0.806 0.020 . 1 . . . A 78 VAL HG13 . 26031 1 639 . 1 1 52 52 VAL HG21 H 1 0.859 0.020 . 1 . . . A 78 VAL HG21 . 26031 1 640 . 1 1 52 52 VAL HG22 H 1 0.859 0.020 . 1 . . . A 78 VAL HG22 . 26031 1 641 . 1 1 52 52 VAL HG23 H 1 0.859 0.020 . 1 . . . A 78 VAL HG23 . 26031 1 642 . 1 1 52 52 VAL C C 13 177.854 0.300 . 1 . . . A 78 VAL C . 26031 1 643 . 1 1 52 52 VAL CA C 13 65.341 0.300 . 1 . . . A 78 VAL CA . 26031 1 644 . 1 1 52 52 VAL CB C 13 30.773 0.300 . 1 . . . A 78 VAL CB . 26031 1 645 . 1 1 52 52 VAL CG1 C 13 20.828 0.300 . 1 . . . A 78 VAL CG1 . 26031 1 646 . 1 1 52 52 VAL CG2 C 13 20.755 0.300 . 1 . . . A 78 VAL CG2 . 26031 1 647 . 1 1 52 52 VAL N N 15 116.135 0.300 . 1 . . . A 78 VAL N . 26031 1 648 . 1 1 53 53 GLN H H 1 6.710 0.020 . 1 . . . A 79 GLN H . 26031 1 649 . 1 1 53 53 GLN HA H 1 4.107 0.020 . 1 . . . A 79 GLN HA . 26031 1 650 . 1 1 53 53 GLN HB2 H 1 2.344 0.020 . 2 . . . A 79 GLN HB2 . 26031 1 651 . 1 1 53 53 GLN HB3 H 1 2.017 0.020 . 2 . . . A 79 GLN HB3 . 26031 1 652 . 1 1 53 53 GLN HG2 H 1 2.405 0.020 . 2 . . . A 79 GLN HG2 . 26031 1 653 . 1 1 53 53 GLN HG3 H 1 2.263 0.020 . 2 . . . A 79 GLN HG3 . 26031 1 654 . 1 1 53 53 GLN HE21 H 1 7.659 0.020 . 1 . . . A 79 GLN HE21 . 26031 1 655 . 1 1 53 53 GLN HE22 H 1 6.960 0.020 . 1 . . . A 79 GLN HE22 . 26031 1 656 . 1 1 53 53 GLN C C 13 178.535 0.300 . 1 . . . A 79 GLN C . 26031 1 657 . 1 1 53 53 GLN CA C 13 58.076 0.300 . 1 . . . A 79 GLN CA . 26031 1 658 . 1 1 53 53 GLN CB C 13 29.176 0.300 . 1 . . . A 79 GLN CB . 26031 1 659 . 1 1 53 53 GLN CG C 13 36.096 0.300 . 1 . . . A 79 GLN CG . 26031 1 660 . 1 1 53 53 GLN N N 15 119.013 0.300 . 1 . . . A 79 GLN N . 26031 1 661 . 1 1 53 53 GLN NE2 N 15 112.895 0.300 . 1 . . . A 79 GLN NE2 . 26031 1 662 . 1 1 54 54 GLN H H 1 7.939 0.020 . 1 . . . A 80 GLN H . 26031 1 663 . 1 1 54 54 GLN HA H 1 3.954 0.020 . 1 . . . A 80 GLN HA . 26031 1 664 . 1 1 54 54 GLN HB2 H 1 2.110 0.020 . 2 . . . A 80 GLN HB2 . 26031 1 665 . 1 1 54 54 GLN HB3 H 1 1.175 0.020 . 2 . . . A 80 GLN HB3 . 26031 1 666 . 1 1 54 54 GLN HG2 H 1 2.363 0.020 . 1 . . . A 80 GLN HG2 . 26031 1 667 . 1 1 54 54 GLN HG3 H 1 2.363 0.020 . 1 . . . A 80 GLN HG3 . 26031 1 668 . 1 1 54 54 GLN HE21 H 1 7.444 0.020 . 1 . . . A 80 GLN HE21 . 26031 1 669 . 1 1 54 54 GLN HE22 H 1 6.794 0.020 . 1 . . . A 80 GLN HE22 . 26031 1 670 . 1 1 54 54 GLN C C 13 177.940 0.300 . 1 . . . A 80 GLN C . 26031 1 671 . 1 1 54 54 GLN CA C 13 58.465 0.300 . 1 . . . A 80 GLN CA . 26031 1 672 . 1 1 54 54 GLN CB C 13 26.975 0.300 . 1 . . . A 80 GLN CB . 26031 1 673 . 1 1 54 54 GLN CG C 13 33.125 0.300 . 1 . . . A 80 GLN CG . 26031 1 674 . 1 1 54 54 GLN N N 15 119.825 0.300 . 1 . . . A 80 GLN N . 26031 1 675 . 1 1 54 54 GLN NE2 N 15 111.780 0.300 . 1 . . . A 80 GLN NE2 . 26031 1 676 . 1 1 55 55 HIS H H 1 8.306 0.020 . 1 . . . A 81 HIS H . 26031 1 677 . 1 1 55 55 HIS HA H 1 3.951 0.020 . 1 . . . A 81 HIS HA . 26031 1 678 . 1 1 55 55 HIS HB2 H 1 2.982 0.020 . 2 . . . A 81 HIS HB2 . 26031 1 679 . 1 1 55 55 HIS HB3 H 1 2.839 0.020 . 2 . . . A 81 HIS HB3 . 26031 1 680 . 1 1 55 55 HIS HD2 H 1 6.678 0.020 . 1 . . . A 81 HIS HD2 . 26031 1 681 . 1 1 55 55 HIS HE1 H 1 7.452 0.020 . 1 . . . A 81 HIS HE1 . 26031 1 682 . 1 1 55 55 HIS C C 13 177.811 0.300 . 1 . . . A 81 HIS C . 26031 1 683 . 1 1 55 55 HIS CA C 13 58.762 0.300 . 1 . . . A 81 HIS CA . 26031 1 684 . 1 1 55 55 HIS CB C 13 30.169 0.300 . 1 . . . A 81 HIS CB . 26031 1 685 . 1 1 55 55 HIS N N 15 116.655 0.300 . 1 . . . A 81 HIS N . 26031 1 686 . 1 1 55 55 HIS ND1 N 15 237.803 0.300 . 1 . . . A 81 HIS ND1 . 26031 1 687 . 1 1 55 55 HIS NE2 N 15 169.330 0.300 . 1 . . . A 81 HIS NE2 . 26031 1 688 . 1 1 56 56 GLN H H 1 7.934 0.020 . 1 . . . A 82 GLN H . 26031 1 689 . 1 1 56 56 GLN HA H 1 4.091 0.020 . 1 . . . A 82 GLN HA . 26031 1 690 . 1 1 56 56 GLN HB2 H 1 2.173 0.020 . 2 . . . A 82 GLN HB2 . 26031 1 691 . 1 1 56 56 GLN HB3 H 1 2.129 0.020 . 2 . . . A 82 GLN HB3 . 26031 1 692 . 1 1 56 56 GLN HG2 H 1 2.490 0.020 . 2 . . . A 82 GLN HG2 . 26031 1 693 . 1 1 56 56 GLN HG3 H 1 2.380 0.020 . 2 . . . A 82 GLN HG3 . 26031 1 694 . 1 1 56 56 GLN HE21 H 1 7.350 0.020 . 1 . . . A 82 GLN HE21 . 26031 1 695 . 1 1 56 56 GLN HE22 H 1 6.731 0.020 . 1 . . . A 82 GLN HE22 . 26031 1 696 . 1 1 56 56 GLN C C 13 178.018 0.300 . 1 . . . A 82 GLN C . 26031 1 697 . 1 1 56 56 GLN CA C 13 58.932 0.300 . 1 . . . A 82 GLN CA . 26031 1 698 . 1 1 56 56 GLN CB C 13 27.469 0.300 . 1 . . . A 82 GLN CB . 26031 1 699 . 1 1 56 56 GLN CG C 13 33.137 0.300 . 1 . . . A 82 GLN CG . 26031 1 700 . 1 1 56 56 GLN N N 15 119.582 0.300 . 1 . . . A 82 GLN N . 26031 1 701 . 1 1 56 56 GLN NE2 N 15 111.058 0.300 . 1 . . . A 82 GLN NE2 . 26031 1 702 . 1 1 57 57 MET H H 1 7.928 0.020 . 1 . . . A 83 MET H . 26031 1 703 . 1 1 57 57 MET HA H 1 4.064 0.020 . 1 . . . A 83 MET HA . 26031 1 704 . 1 1 57 57 MET HB2 H 1 2.670 0.020 . 2 . . . A 83 MET HB2 . 26031 1 705 . 1 1 57 57 MET HB3 H 1 2.442 0.020 . 2 . . . A 83 MET HB3 . 26031 1 706 . 1 1 57 57 MET HG2 H 1 2.962 0.020 . 2 . . . A 83 MET HG2 . 26031 1 707 . 1 1 57 57 MET HG3 H 1 2.678 0.020 . 2 . . . A 83 MET HG3 . 26031 1 708 . 1 1 57 57 MET HE1 H 1 2.120 0.020 . 1 . . . A 83 MET HE1 . 26031 1 709 . 1 1 57 57 MET HE2 H 1 2.120 0.020 . 1 . . . A 83 MET HE2 . 26031 1 710 . 1 1 57 57 MET HE3 H 1 2.120 0.020 . 1 . . . A 83 MET HE3 . 26031 1 711 . 1 1 57 57 MET C C 13 179.230 0.300 . 1 . . . A 83 MET C . 26031 1 712 . 1 1 57 57 MET CA C 13 59.465 0.300 . 1 . . . A 83 MET CA . 26031 1 713 . 1 1 57 57 MET CB C 13 34.026 0.300 . 1 . . . A 83 MET CB . 26031 1 714 . 1 1 57 57 MET CG C 13 31.393 0.300 . 1 . . . A 83 MET CG . 26031 1 715 . 1 1 57 57 MET CE C 13 16.490 0.300 . 1 . . . A 83 MET CE . 26031 1 716 . 1 1 57 57 MET N N 15 117.992 0.300 . 1 . . . A 83 MET N . 26031 1 717 . 1 1 58 58 VAL H H 1 7.444 0.020 . 1 . . . A 84 VAL H . 26031 1 718 . 1 1 58 58 VAL HA H 1 3.580 0.020 . 1 . . . A 84 VAL HA . 26031 1 719 . 1 1 58 58 VAL HB H 1 2.093 0.020 . 1 . . . A 84 VAL HB . 26031 1 720 . 1 1 58 58 VAL HG11 H 1 0.757 0.020 . 1 . . . A 84 VAL HG11 . 26031 1 721 . 1 1 58 58 VAL HG12 H 1 0.757 0.020 . 1 . . . A 84 VAL HG12 . 26031 1 722 . 1 1 58 58 VAL HG13 H 1 0.757 0.020 . 1 . . . A 84 VAL HG13 . 26031 1 723 . 1 1 58 58 VAL HG21 H 1 0.663 0.020 . 1 . . . A 84 VAL HG21 . 26031 1 724 . 1 1 58 58 VAL HG22 H 1 0.663 0.020 . 1 . . . A 84 VAL HG22 . 26031 1 725 . 1 1 58 58 VAL HG23 H 1 0.663 0.020 . 1 . . . A 84 VAL HG23 . 26031 1 726 . 1 1 58 58 VAL C C 13 176.333 0.300 . 1 . . . A 84 VAL C . 26031 1 727 . 1 1 58 58 VAL CA C 13 66.895 0.300 . 1 . . . A 84 VAL CA . 26031 1 728 . 1 1 58 58 VAL CB C 13 31.189 0.300 . 1 . . . A 84 VAL CB . 26031 1 729 . 1 1 58 58 VAL CG1 C 13 22.676 0.300 . 1 . . . A 84 VAL CG1 . 26031 1 730 . 1 1 58 58 VAL CG2 C 13 21.421 0.300 . 1 . . . A 84 VAL CG2 . 26031 1 731 . 1 1 58 58 VAL N N 15 120.650 0.300 . 1 . . . A 84 VAL N . 26031 1 732 . 1 1 59 59 ASN H H 1 8.354 0.020 . 1 . . . A 85 ASN H . 26031 1 733 . 1 1 59 59 ASN HA H 1 4.060 0.020 . 1 . . . A 85 ASN HA . 26031 1 734 . 1 1 59 59 ASN HB2 H 1 2.624 0.020 . 2 . . . A 85 ASN HB2 . 26031 1 735 . 1 1 59 59 ASN HB3 H 1 2.639 0.020 . 2 . . . A 85 ASN HB3 . 26031 1 736 . 1 1 59 59 ASN HD21 H 1 6.622 0.020 . 1 . . . A 85 ASN HD21 . 26031 1 737 . 1 1 59 59 ASN HD22 H 1 6.989 0.020 . 1 . . . A 85 ASN HD22 . 26031 1 738 . 1 1 59 59 ASN C C 13 178.004 0.300 . 1 . . . A 85 ASN C . 26031 1 739 . 1 1 59 59 ASN CA C 13 56.797 0.300 . 1 . . . A 85 ASN CA . 26031 1 740 . 1 1 59 59 ASN CB C 13 38.563 0.300 . 1 . . . A 85 ASN CB . 26031 1 741 . 1 1 59 59 ASN N N 15 117.636 0.300 . 1 . . . A 85 ASN N . 26031 1 742 . 1 1 59 59 ASN ND2 N 15 109.705 0.300 . 1 . . . A 85 ASN ND2 . 26031 1 743 . 1 1 60 60 GLN H H 1 8.524 0.020 . 1 . . . A 86 GLN H . 26031 1 744 . 1 1 60 60 GLN HA H 1 3.842 0.020 . 1 . . . A 86 GLN HA . 26031 1 745 . 1 1 60 60 GLN HB2 H 1 2.093 0.020 . 2 . . . A 86 GLN HB2 . 26031 1 746 . 1 1 60 60 GLN HB3 H 1 1.968 0.020 . 2 . . . A 86 GLN HB3 . 26031 1 747 . 1 1 60 60 GLN HG2 H 1 2.386 0.020 . 1 . . . A 86 GLN HG2 . 26031 1 748 . 1 1 60 60 GLN HG3 H 1 2.386 0.020 . 1 . . . A 86 GLN HG3 . 26031 1 749 . 1 1 60 60 GLN HE21 H 1 7.019 0.020 . 1 . . . A 86 GLN HE21 . 26031 1 750 . 1 1 60 60 GLN HE22 H 1 6.688 0.020 . 1 . . . A 86 GLN HE22 . 26031 1 751 . 1 1 60 60 GLN C C 13 178.163 0.300 . 1 . . . A 86 GLN C . 26031 1 752 . 1 1 60 60 GLN CA C 13 58.442 0.300 . 1 . . . A 86 GLN CA . 26031 1 753 . 1 1 60 60 GLN CB C 13 27.820 0.300 . 1 . . . A 86 GLN CB . 26031 1 754 . 1 1 60 60 GLN CG C 13 33.564 0.300 . 1 . . . A 86 GLN CG . 26031 1 755 . 1 1 60 60 GLN N N 15 116.916 0.300 . 1 . . . A 86 GLN N . 26031 1 756 . 1 1 60 60 GLN NE2 N 15 111.571 0.300 . 1 . . . A 86 GLN NE2 . 26031 1 757 . 1 1 61 61 ALA H H 1 7.484 0.020 . 1 . . . A 87 ALA H . 26031 1 758 . 1 1 61 61 ALA HA H 1 3.984 0.020 . 1 . . . A 87 ALA HA . 26031 1 759 . 1 1 61 61 ALA HB1 H 1 1.468 0.020 . 1 . . . A 87 ALA HB1 . 26031 1 760 . 1 1 61 61 ALA HB2 H 1 1.468 0.020 . 1 . . . A 87 ALA HB2 . 26031 1 761 . 1 1 61 61 ALA HB3 H 1 1.468 0.020 . 1 . . . A 87 ALA HB3 . 26031 1 762 . 1 1 61 61 ALA C C 13 178.159 0.300 . 1 . . . A 87 ALA C . 26031 1 763 . 1 1 61 61 ALA CA C 13 54.238 0.300 . 1 . . . A 87 ALA CA . 26031 1 764 . 1 1 61 61 ALA CB C 13 18.578 0.300 . 1 . . . A 87 ALA CB . 26031 1 765 . 1 1 61 61 ALA N N 15 120.266 0.300 . 1 . . . A 87 ALA N . 26031 1 766 . 1 1 62 62 LEU H H 1 7.196 0.020 . 1 . . . A 88 LEU H . 26031 1 767 . 1 1 62 62 LEU HA H 1 4.354 0.020 . 1 . . . A 88 LEU HA . 26031 1 768 . 1 1 62 62 LEU HB2 H 1 1.580 0.020 . 1 . . . A 88 LEU HB2 . 26031 1 769 . 1 1 62 62 LEU HB3 H 1 1.580 0.020 . 1 . . . A 88 LEU HB3 . 26031 1 770 . 1 1 62 62 LEU HG H 1 1.626 0.020 . 1 . . . A 88 LEU HG . 26031 1 771 . 1 1 62 62 LEU HD11 H 1 0.615 0.020 . 1 . . . A 88 LEU HD11 . 26031 1 772 . 1 1 62 62 LEU HD12 H 1 0.615 0.020 . 1 . . . A 88 LEU HD12 . 26031 1 773 . 1 1 62 62 LEU HD13 H 1 0.615 0.020 . 1 . . . A 88 LEU HD13 . 26031 1 774 . 1 1 62 62 LEU HD21 H 1 0.682 0.020 . 1 . . . A 88 LEU HD21 . 26031 1 775 . 1 1 62 62 LEU HD22 H 1 0.682 0.020 . 1 . . . A 88 LEU HD22 . 26031 1 776 . 1 1 62 62 LEU HD23 H 1 0.682 0.020 . 1 . . . A 88 LEU HD23 . 26031 1 777 . 1 1 62 62 LEU C C 13 177.310 0.300 . 1 . . . A 88 LEU C . 26031 1 778 . 1 1 62 62 LEU CA C 13 54.113 0.300 . 1 . . . A 88 LEU CA . 26031 1 779 . 1 1 62 62 LEU CB C 13 42.346 0.300 . 1 . . . A 88 LEU CB . 26031 1 780 . 1 1 62 62 LEU CG C 13 26.367 0.300 . 1 . . . A 88 LEU CG . 26031 1 781 . 1 1 62 62 LEU CD1 C 13 26.217 0.300 . 1 . . . A 88 LEU CD1 . 26031 1 782 . 1 1 62 62 LEU CD2 C 13 23.039 0.300 . 1 . . . A 88 LEU CD2 . 26031 1 783 . 1 1 62 62 LEU N N 15 113.307 0.300 . 1 . . . A 88 LEU N . 26031 1 784 . 1 1 63 63 LYS H H 1 7.338 0.020 . 1 . . . A 89 LYS H . 26031 1 785 . 1 1 63 63 LYS HA H 1 3.966 0.020 . 1 . . . A 89 LYS HA . 26031 1 786 . 1 1 63 63 LYS HB2 H 1 1.873 0.020 . 2 . . . A 89 LYS HB2 . 26031 1 787 . 1 1 63 63 LYS HB3 H 1 1.761 0.020 . 2 . . . A 89 LYS HB3 . 26031 1 788 . 1 1 63 63 LYS HG2 H 1 1.411 0.020 . 2 . . . A 89 LYS HG2 . 26031 1 789 . 1 1 63 63 LYS HG3 H 1 1.331 0.020 . 2 . . . A 89 LYS HG3 . 26031 1 790 . 1 1 63 63 LYS HD2 H 1 1.582 0.020 . 1 . . . A 89 LYS HD2 . 26031 1 791 . 1 1 63 63 LYS HD3 H 1 1.582 0.020 . 1 . . . A 89 LYS HD3 . 26031 1 792 . 1 1 63 63 LYS HE2 H 1 2.892 0.020 . 1 . . . A 89 LYS HE2 . 26031 1 793 . 1 1 63 63 LYS HE3 H 1 2.892 0.020 . 1 . . . A 89 LYS HE3 . 26031 1 794 . 1 1 63 63 LYS C C 13 177.161 0.300 . 1 . . . A 89 LYS C . 26031 1 795 . 1 1 63 63 LYS CA C 13 59.402 0.300 . 1 . . . A 89 LYS CA . 26031 1 796 . 1 1 63 63 LYS CB C 13 32.105 0.300 . 1 . . . A 89 LYS CB . 26031 1 797 . 1 1 63 63 LYS CG C 13 23.768 0.300 . 1 . . . A 89 LYS CG . 26031 1 798 . 1 1 63 63 LYS CD C 13 28.766 0.300 . 1 . . . A 89 LYS CD . 26031 1 799 . 1 1 63 63 LYS CE C 13 41.646 0.300 . 1 . . . A 89 LYS CE . 26031 1 800 . 1 1 63 63 LYS N N 15 120.127 0.300 . 1 . . . A 89 LYS N . 26031 1 801 . 1 1 64 64 GLU H H 1 8.240 0.020 . 1 . . . A 90 GLU H . 26031 1 802 . 1 1 64 64 GLU HA H 1 4.092 0.020 . 1 . . . A 90 GLU HA . 26031 1 803 . 1 1 64 64 GLU HB2 H 1 1.998 0.020 . 2 . . . A 90 GLU HB2 . 26031 1 804 . 1 1 64 64 GLU HB3 H 1 1.829 0.020 . 2 . . . A 90 GLU HB3 . 26031 1 805 . 1 1 64 64 GLU HG2 H 1 2.222 0.020 . 2 . . . A 90 GLU HG2 . 26031 1 806 . 1 1 64 64 GLU HG3 H 1 2.153 0.020 . 2 . . . A 90 GLU HG3 . 26031 1 807 . 1 1 64 64 GLU C C 13 176.879 0.300 . 1 . . . A 90 GLU C . 26031 1 808 . 1 1 64 64 GLU CA C 13 57.387 0.300 . 1 . . . A 90 GLU CA . 26031 1 809 . 1 1 64 64 GLU CB C 13 28.809 0.300 . 1 . . . A 90 GLU CB . 26031 1 810 . 1 1 64 64 GLU CG C 13 36.079 0.300 . 1 . . . A 90 GLU CG . 26031 1 811 . 1 1 64 64 GLU N N 15 115.917 0.300 . 1 . . . A 90 GLU N . 26031 1 812 . 1 1 65 65 GLU H H 1 7.640 0.020 . 1 . . . A 91 GLU H . 26031 1 813 . 1 1 65 65 GLU HA H 1 4.203 0.020 . 1 . . . A 91 GLU HA . 26031 1 814 . 1 1 65 65 GLU HB2 H 1 1.812 0.020 . 2 . . . A 91 GLU HB2 . 26031 1 815 . 1 1 65 65 GLU HB3 H 1 1.772 0.020 . 2 . . . A 91 GLU HB3 . 26031 1 816 . 1 1 65 65 GLU HG2 H 1 2.014 0.020 . 1 . . . A 91 GLU HG2 . 26031 1 817 . 1 1 65 65 GLU HG3 H 1 2.014 0.020 . 1 . . . A 91 GLU HG3 . 26031 1 818 . 1 1 65 65 GLU C C 13 176.544 0.300 . 1 . . . A 91 GLU C . 26031 1 819 . 1 1 65 65 GLU CA C 13 56.723 0.300 . 1 . . . A 91 GLU CA . 26031 1 820 . 1 1 65 65 GLU CB C 13 30.720 0.300 . 1 . . . A 91 GLU CB . 26031 1 821 . 1 1 65 65 GLU CG C 13 34.938 0.300 . 1 . . . A 91 GLU CG . 26031 1 822 . 1 1 65 65 GLU N N 15 118.001 0.300 . 1 . . . A 91 GLU N . 26031 1 823 . 1 1 66 66 ILE H H 1 7.903 0.020 . 1 . . . A 92 ILE H . 26031 1 824 . 1 1 66 66 ILE HA H 1 4.092 0.020 . 1 . . . A 92 ILE HA . 26031 1 825 . 1 1 66 66 ILE HB H 1 1.810 0.020 . 1 . . . A 92 ILE HB . 26031 1 826 . 1 1 66 66 ILE HG12 H 1 1.263 0.020 . 2 . . . A 92 ILE HG12 . 26031 1 827 . 1 1 66 66 ILE HG13 H 1 1.187 0.020 . 2 . . . A 92 ILE HG13 . 26031 1 828 . 1 1 66 66 ILE HG21 H 1 0.754 0.020 . 1 . . . A 92 ILE HG21 . 26031 1 829 . 1 1 66 66 ILE HG22 H 1 0.754 0.020 . 1 . . . A 92 ILE HG22 . 26031 1 830 . 1 1 66 66 ILE HG23 H 1 0.754 0.020 . 1 . . . A 92 ILE HG23 . 26031 1 831 . 1 1 66 66 ILE HD11 H 1 0.651 0.020 . 1 . . . A 92 ILE HD11 . 26031 1 832 . 1 1 66 66 ILE HD12 H 1 0.651 0.020 . 1 . . . A 92 ILE HD12 . 26031 1 833 . 1 1 66 66 ILE HD13 H 1 0.651 0.020 . 1 . . . A 92 ILE HD13 . 26031 1 834 . 1 1 66 66 ILE C C 13 175.564 0.300 . 1 . . . A 92 ILE C . 26031 1 835 . 1 1 66 66 ILE CA C 13 59.988 0.300 . 1 . . . A 92 ILE CA . 26031 1 836 . 1 1 66 66 ILE CB C 13 37.540 0.300 . 1 . . . A 92 ILE CB . 26031 1 837 . 1 1 66 66 ILE CG1 C 13 26.707 0.300 . 1 . . . A 92 ILE CG1 . 26031 1 838 . 1 1 66 66 ILE CG2 C 13 17.307 0.300 . 1 . . . A 92 ILE CG2 . 26031 1 839 . 1 1 66 66 ILE CD1 C 13 12.037 0.300 . 1 . . . A 92 ILE CD1 . 26031 1 840 . 1 1 66 66 ILE N N 15 118.184 0.300 . 1 . . . A 92 ILE N . 26031 1 841 . 1 1 67 67 LYS H H 1 8.047 0.020 . 1 . . . A 93 LYS H . 26031 1 842 . 1 1 67 67 LYS HA H 1 4.089 0.020 . 1 . . . A 93 LYS HA . 26031 1 843 . 1 1 67 67 LYS HB2 H 1 1.741 0.020 . 2 . . . A 93 LYS HB2 . 26031 1 844 . 1 1 67 67 LYS HB3 H 1 1.768 0.020 . 2 . . . A 93 LYS HB3 . 26031 1 845 . 1 1 67 67 LYS HG2 H 1 1.385 0.020 . 2 . . . A 93 LYS HG2 . 26031 1 846 . 1 1 67 67 LYS HG3 H 1 1.328 0.020 . 2 . . . A 93 LYS HG3 . 26031 1 847 . 1 1 67 67 LYS HD2 H 1 1.571 0.020 . 1 . . . A 93 LYS HD2 . 26031 1 848 . 1 1 67 67 LYS HD3 H 1 1.571 0.020 . 1 . . . A 93 LYS HD3 . 26031 1 849 . 1 1 67 67 LYS HE2 H 1 2.889 0.020 . 1 . . . A 93 LYS HE2 . 26031 1 850 . 1 1 67 67 LYS HE3 H 1 2.889 0.020 . 1 . . . A 93 LYS HE3 . 26031 1 851 . 1 1 67 67 LYS C C 13 177.055 0.300 . 1 . . . A 93 LYS C . 26031 1 852 . 1 1 67 67 LYS CA C 13 57.726 0.300 . 1 . . . A 93 LYS CA . 26031 1 853 . 1 1 67 67 LYS CB C 13 32.115 0.300 . 1 . . . A 93 LYS CB . 26031 1 854 . 1 1 67 67 LYS CG C 13 25.249 0.300 . 1 . . . A 93 LYS CG . 26031 1 855 . 1 1 67 67 LYS CD C 13 28.759 0.300 . 1 . . . A 93 LYS CD . 26031 1 856 . 1 1 67 67 LYS CE C 13 41.638 0.300 . 1 . . . A 93 LYS CE . 26031 1 857 . 1 1 67 67 LYS N N 15 122.921 0.300 . 1 . . . A 93 LYS N . 26031 1 858 . 1 1 68 68 GLU H H 1 7.884 0.020 . 1 . . . A 94 GLU H . 26031 1 859 . 1 1 68 68 GLU HA H 1 4.295 0.020 . 1 . . . A 94 GLU HA . 26031 1 860 . 1 1 68 68 GLU HB2 H 1 1.903 0.020 . 2 . . . A 94 GLU HB2 . 26031 1 861 . 1 1 68 68 GLU HB3 H 1 1.765 0.020 . 2 . . . A 94 GLU HB3 . 26031 1 862 . 1 1 68 68 GLU HG2 H 1 2.144 0.020 . 2 . . . A 94 GLU HG2 . 26031 1 863 . 1 1 68 68 GLU HG3 H 1 2.097 0.020 . 2 . . . A 94 GLU HG3 . 26031 1 864 . 1 1 68 68 GLU C C 13 175.931 0.300 . 1 . . . A 94 GLU C . 26031 1 865 . 1 1 68 68 GLU CA C 13 55.335 0.300 . 1 . . . A 94 GLU CA . 26031 1 866 . 1 1 68 68 GLU CB C 13 29.133 0.300 . 1 . . . A 94 GLU CB . 26031 1 867 . 1 1 68 68 GLU CG C 13 36.093 0.300 . 1 . . . A 94 GLU CG . 26031 1 868 . 1 1 68 68 GLU N N 15 117.376 0.300 . 1 . . . A 94 GLU N . 26031 1 869 . 1 1 69 69 MET H H 1 8.080 0.020 . 1 . . . A 95 MET H . 26031 1 870 . 1 1 69 69 MET HA H 1 4.275 0.020 . 1 . . . A 95 MET HA . 26031 1 871 . 1 1 69 69 MET HB2 H 1 1.924 0.020 . 2 . . . A 95 MET HB2 . 26031 1 872 . 1 1 69 69 MET HB3 H 1 1.898 0.020 . 2 . . . A 95 MET HB3 . 26031 1 873 . 1 1 69 69 MET HG2 H 1 2.456 0.020 . 2 . . . A 95 MET HG2 . 26031 1 874 . 1 1 69 69 MET HG3 H 1 2.335 0.020 . 2 . . . A 95 MET HG3 . 26031 1 875 . 1 1 69 69 MET HE1 H 1 1.860 0.020 . 1 . . . A 95 MET HE1 . 26031 1 876 . 1 1 69 69 MET HE2 H 1 1.860 0.020 . 1 . . . A 95 MET HE2 . 26031 1 877 . 1 1 69 69 MET HE3 H 1 1.860 0.020 . 1 . . . A 95 MET HE3 . 26031 1 878 . 1 1 69 69 MET C C 13 176.100 0.300 . 1 . . . A 95 MET C . 26031 1 879 . 1 1 69 69 MET CA C 13 56.024 0.300 . 1 . . . A 95 MET CA . 26031 1 880 . 1 1 69 69 MET CB C 13 32.118 0.300 . 1 . . . A 95 MET CB . 26031 1 881 . 1 1 69 69 MET CG C 13 31.797 0.300 . 1 . . . A 95 MET CG . 26031 1 882 . 1 1 69 69 MET CE C 13 17.159 0.300 . 1 . . . A 95 MET CE . 26031 1 883 . 1 1 69 69 MET N N 15 120.642 0.300 . 1 . . . A 95 MET N . 26031 1 884 . 1 1 70 70 HIS H H 1 8.441 0.020 . 1 . . . A 96 HIS H . 26031 1 885 . 1 1 70 70 HIS HA H 1 4.641 0.020 . 1 . . . A 96 HIS HA . 26031 1 886 . 1 1 70 70 HIS HB2 H 1 3.030 0.020 . 2 . . . A 96 HIS HB2 . 26031 1 887 . 1 1 70 70 HIS HB3 H 1 3.007 0.020 . 2 . . . A 96 HIS HB3 . 26031 1 888 . 1 1 70 70 HIS HD2 H 1 6.876 0.020 . 1 . . . A 96 HIS HD2 . 26031 1 889 . 1 1 70 70 HIS HE1 H 1 7.730 0.020 . 1 . . . A 96 HIS HE1 . 26031 1 890 . 1 1 70 70 HIS C C 13 175.568 0.300 . 1 . . . A 96 HIS C . 26031 1 891 . 1 1 70 70 HIS CA C 13 56.415 0.300 . 1 . . . A 96 HIS CA . 26031 1 892 . 1 1 70 70 HIS CB C 13 30.204 0.300 . 1 . . . A 96 HIS CB . 26031 1 893 . 1 1 70 70 HIS N N 15 119.198 0.300 . 1 . . . A 96 HIS N . 26031 1 894 . 1 1 70 70 HIS ND1 N 15 219.565 0.300 . 1 . . . A 96 HIS ND1 . 26031 1 895 . 1 1 70 70 HIS NE2 N 15 181.596 0.300 . 1 . . . A 96 HIS NE2 . 26031 1 896 . 1 1 71 71 GLY H H 1 7.835 0.020 . 1 . . . A 97 GLY H . 26031 1 897 . 1 1 71 71 GLY HA2 H 1 4.104 0.020 . 2 . . . A 97 GLY HA2 . 26031 1 898 . 1 1 71 71 GLY HA3 H 1 3.750 0.020 . 2 . . . A 97 GLY HA3 . 26031 1 899 . 1 1 71 71 GLY C C 13 171.839 0.300 . 1 . . . A 97 GLY C . 26031 1 900 . 1 1 71 71 GLY CA C 13 45.353 0.300 . 1 . . . A 97 GLY CA . 26031 1 901 . 1 1 71 71 GLY N N 15 107.376 0.300 . 1 . . . A 97 GLY N . 26031 1 902 . 1 1 72 72 LEU H H 1 7.678 0.020 . 1 . . . A 98 LEU H . 26031 1 903 . 1 1 72 72 LEU HA H 1 5.040 0.020 . 1 . . . A 98 LEU HA . 26031 1 904 . 1 1 72 72 LEU HB2 H 1 1.608 0.020 . 2 . . . A 98 LEU HB2 . 26031 1 905 . 1 1 72 72 LEU HB3 H 1 1.050 0.020 . 2 . . . A 98 LEU HB3 . 26031 1 906 . 1 1 72 72 LEU HG H 1 1.564 0.020 . 1 . . . A 98 LEU HG . 26031 1 907 . 1 1 72 72 LEU HD11 H 1 0.755 0.020 . 2 . . . A 98 LEU HD11 . 26031 1 908 . 1 1 72 72 LEU HD12 H 1 0.755 0.020 . 2 . . . A 98 LEU HD12 . 26031 1 909 . 1 1 72 72 LEU HD13 H 1 0.755 0.020 . 2 . . . A 98 LEU HD13 . 26031 1 910 . 1 1 72 72 LEU HD21 H 1 0.820 0.020 . 1 . . . A 98 LEU HD21 . 26031 1 911 . 1 1 72 72 LEU HD22 H 1 0.820 0.020 . 1 . . . A 98 LEU HD22 . 26031 1 912 . 1 1 72 72 LEU HD23 H 1 0.820 0.020 . 1 . . . A 98 LEU HD23 . 26031 1 913 . 1 1 72 72 LEU C C 13 176.180 0.300 . 1 . . . A 98 LEU C . 26031 1 914 . 1 1 72 72 LEU CA C 13 53.515 0.300 . 1 . . . A 98 LEU CA . 26031 1 915 . 1 1 72 72 LEU CB C 13 44.480 0.300 . 1 . . . A 98 LEU CB . 26031 1 916 . 1 1 72 72 LEU CG C 13 26.414 0.300 . 1 . . . A 98 LEU CG . 26031 1 917 . 1 1 72 72 LEU CD1 C 13 25.818 0.300 . 1 . . . A 98 LEU CD1 . 26031 1 918 . 1 1 72 72 LEU CD2 C 13 24.058 0.300 . 1 . . . A 98 LEU CD2 . 26031 1 919 . 1 1 72 72 LEU N N 15 117.924 0.300 . 1 . . . A 98 LEU N . 26031 1 920 . 1 1 73 73 ARG H H 1 8.672 0.020 . 1 . . . A 99 ARG H . 26031 1 921 . 1 1 73 73 ARG HA H 1 4.374 0.020 . 1 . . . A 99 ARG HA . 26031 1 922 . 1 1 73 73 ARG HB2 H 1 1.607 0.020 . 1 . . . A 99 ARG HB2 . 26031 1 923 . 1 1 73 73 ARG HB3 H 1 1.607 0.020 . 1 . . . A 99 ARG HB3 . 26031 1 924 . 1 1 73 73 ARG HG2 H 1 1.456 0.020 . 2 . . . A 99 ARG HG2 . 26031 1 925 . 1 1 73 73 ARG HG3 H 1 1.325 0.020 . 2 . . . A 99 ARG HG3 . 26031 1 926 . 1 1 73 73 ARG HD2 H 1 3.122 0.020 . 2 . . . A 99 ARG HD2 . 26031 1 927 . 1 1 73 73 ARG HD3 H 1 3.149 0.020 . 2 . . . A 99 ARG HD3 . 26031 1 928 . 1 1 73 73 ARG C C 13 173.637 0.300 . 1 . . . A 99 ARG C . 26031 1 929 . 1 1 73 73 ARG CA C 13 54.832 0.300 . 1 . . . A 99 ARG CA . 26031 1 930 . 1 1 73 73 ARG CB C 13 31.324 0.300 . 1 . . . A 99 ARG CB . 26031 1 931 . 1 1 73 73 ARG CG C 13 26.662 0.300 . 1 . . . A 99 ARG CG . 26031 1 932 . 1 1 73 73 ARG CD C 13 43.123 0.300 . 1 . . . A 99 ARG CD . 26031 1 933 . 1 1 73 73 ARG N N 15 125.090 0.300 . 1 . . . A 99 ARG N . 26031 1 934 . 1 1 74 74 ILE H H 1 8.063 0.020 . 1 . . . A 100 ILE H . 26031 1 935 . 1 1 74 74 ILE HA H 1 4.205 0.020 . 1 . . . A 100 ILE HA . 26031 1 936 . 1 1 74 74 ILE HB H 1 0.563 0.020 . 1 . . . A 100 ILE HB . 26031 1 937 . 1 1 74 74 ILE HG12 H 1 1.183 0.020 . 2 . . . A 100 ILE HG12 . 26031 1 938 . 1 1 74 74 ILE HG13 H 1 0.275 0.020 . 2 . . . A 100 ILE HG13 . 26031 1 939 . 1 1 74 74 ILE HG21 H 1 0.213 0.020 . 1 . . . A 100 ILE HG21 . 26031 1 940 . 1 1 74 74 ILE HG22 H 1 0.213 0.020 . 1 . . . A 100 ILE HG22 . 26031 1 941 . 1 1 74 74 ILE HG23 H 1 0.213 0.020 . 1 . . . A 100 ILE HG23 . 26031 1 942 . 1 1 74 74 ILE HD11 H 1 0.544 0.020 . 1 . . . A 100 ILE HD11 . 26031 1 943 . 1 1 74 74 ILE HD12 H 1 0.544 0.020 . 1 . . . A 100 ILE HD12 . 26031 1 944 . 1 1 74 74 ILE HD13 H 1 0.544 0.020 . 1 . . . A 100 ILE HD13 . 26031 1 945 . 1 1 74 74 ILE C C 13 173.489 0.300 . 1 . . . A 100 ILE C . 26031 1 946 . 1 1 74 74 ILE CA C 13 60.909 0.300 . 1 . . . A 100 ILE CA . 26031 1 947 . 1 1 74 74 ILE CB C 13 39.953 0.300 . 1 . . . A 100 ILE CB . 26031 1 948 . 1 1 74 74 ILE CG1 C 13 27.877 0.300 . 1 . . . A 100 ILE CG1 . 26031 1 949 . 1 1 74 74 ILE CG2 C 13 18.990 0.300 . 1 . . . A 100 ILE CG2 . 26031 1 950 . 1 1 74 74 ILE CD1 C 13 13.328 0.300 . 1 . . . A 100 ILE CD1 . 26031 1 951 . 1 1 74 74 ILE N N 15 125.119 0.300 . 1 . . . A 100 ILE N . 26031 1 952 . 1 1 75 75 PHE H H 1 8.984 0.020 . 1 . . . A 101 PHE H . 26031 1 953 . 1 1 75 75 PHE HA H 1 4.717 0.020 . 1 . . . A 101 PHE HA . 26031 1 954 . 1 1 75 75 PHE HB2 H 1 2.973 0.020 . 2 . . . A 101 PHE HB2 . 26031 1 955 . 1 1 75 75 PHE HB3 H 1 2.783 0.020 . 2 . . . A 101 PHE HB3 . 26031 1 956 . 1 1 75 75 PHE HD1 H 1 7.045 0.020 . 1 . . . A 101 PHE HD1 . 26031 1 957 . 1 1 75 75 PHE HD2 H 1 7.045 0.020 . 1 . . . A 101 PHE HD2 . 26031 1 958 . 1 1 75 75 PHE HE1 H 1 7.101 0.020 . 1 . . . A 101 PHE HE1 . 26031 1 959 . 1 1 75 75 PHE HE2 H 1 7.101 0.020 . 1 . . . A 101 PHE HE2 . 26031 1 960 . 1 1 75 75 PHE C C 13 174.791 0.300 . 1 . . . A 101 PHE C . 26031 1 961 . 1 1 75 75 PHE CA C 13 56.432 0.300 . 1 . . . A 101 PHE CA . 26031 1 962 . 1 1 75 75 PHE CB C 13 40.118 0.300 . 1 . . . A 101 PHE CB . 26031 1 963 . 1 1 75 75 PHE N N 15 125.171 0.300 . 1 . . . A 101 PHE N . 26031 1 964 . 1 1 76 76 THR H H 1 8.503 0.020 . 1 . . . A 102 THR H . 26031 1 965 . 1 1 76 76 THR HA H 1 5.122 0.020 . 1 . . . A 102 THR HA . 26031 1 966 . 1 1 76 76 THR HB H 1 2.967 0.020 . 1 . . . A 102 THR HB . 26031 1 967 . 1 1 76 76 THR HG21 H 1 0.343 0.020 . 1 . . . A 102 THR HG21 . 26031 1 968 . 1 1 76 76 THR HG22 H 1 0.343 0.020 . 1 . . . A 102 THR HG22 . 26031 1 969 . 1 1 76 76 THR HG23 H 1 0.343 0.020 . 1 . . . A 102 THR HG23 . 26031 1 970 . 1 1 76 76 THR C C 13 174.236 0.300 . 1 . . . A 102 THR C . 26031 1 971 . 1 1 76 76 THR CA C 13 58.625 0.300 . 1 . . . A 102 THR CA . 26031 1 972 . 1 1 76 76 THR CB C 13 69.201 0.300 . 1 . . . A 102 THR CB . 26031 1 973 . 1 1 76 76 THR CG2 C 13 23.186 0.300 . 1 . . . A 102 THR CG2 . 26031 1 974 . 1 1 76 76 THR N N 15 115.901 0.300 . 1 . . . A 102 THR N . 26031 1 975 . 1 1 77 77 SER H H 1 8.271 0.020 . 1 . . . A 103 SER H . 26031 1 976 . 1 1 77 77 SER HA H 1 4.650 0.020 . 1 . . . A 103 SER HA . 26031 1 977 . 1 1 77 77 SER HB2 H 1 3.812 0.020 . 2 . . . A 103 SER HB2 . 26031 1 978 . 1 1 77 77 SER HB3 H 1 3.779 0.020 . 2 . . . A 103 SER HB3 . 26031 1 979 . 1 1 77 77 SER C C 13 172.161 0.300 . 1 . . . A 103 SER C . 26031 1 980 . 1 1 77 77 SER CA C 13 56.980 0.300 . 1 . . . A 103 SER CA . 26031 1 981 . 1 1 77 77 SER CB C 13 65.058 0.300 . 1 . . . A 103 SER CB . 26031 1 982 . 1 1 77 77 SER N N 15 112.894 0.300 . 1 . . . A 103 SER N . 26031 1 983 . 1 1 78 78 VAL H H 1 8.219 0.020 . 1 . . . A 104 VAL H . 26031 1 984 . 1 1 78 78 VAL HA H 1 4.655 0.020 . 1 . . . A 104 VAL HA . 26031 1 985 . 1 1 78 78 VAL HB H 1 2.008 0.020 . 1 . . . A 104 VAL HB . 26031 1 986 . 1 1 78 78 VAL HG11 H 1 0.851 0.020 . 1 . . . A 104 VAL HG11 . 26031 1 987 . 1 1 78 78 VAL HG12 H 1 0.851 0.020 . 1 . . . A 104 VAL HG12 . 26031 1 988 . 1 1 78 78 VAL HG13 H 1 0.851 0.020 . 1 . . . A 104 VAL HG13 . 26031 1 989 . 1 1 78 78 VAL HG21 H 1 0.975 0.020 . 1 . . . A 104 VAL HG21 . 26031 1 990 . 1 1 78 78 VAL HG22 H 1 0.975 0.020 . 1 . . . A 104 VAL HG22 . 26031 1 991 . 1 1 78 78 VAL HG23 H 1 0.975 0.020 . 1 . . . A 104 VAL HG23 . 26031 1 992 . 1 1 78 78 VAL C C 13 174.270 0.300 . 1 . . . A 104 VAL C . 26031 1 993 . 1 1 78 78 VAL CA C 13 58.442 0.300 . 1 . . . A 104 VAL CA . 26031 1 994 . 1 1 78 78 VAL CB C 13 32.695 0.300 . 1 . . . A 104 VAL CB . 26031 1 995 . 1 1 78 78 VAL CG1 C 13 19.942 0.300 . 1 . . . A 104 VAL CG1 . 26031 1 996 . 1 1 78 78 VAL CG2 C 13 21.018 0.300 . 1 . . . A 104 VAL CG2 . 26031 1 997 . 1 1 78 78 VAL N N 15 117.941 0.300 . 1 . . . A 104 VAL N . 26031 1 998 . 1 1 79 79 PRO HA H 1 4.251 0.020 . 1 . . . A 105 PRO HA . 26031 1 999 . 1 1 79 79 PRO HB2 H 1 1.783 0.020 . 2 . . . A 105 PRO HB2 . 26031 1 1000 . 1 1 79 79 PRO HB3 H 1 2.228 0.020 . 2 . . . A 105 PRO HB3 . 26031 1 1001 . 1 1 79 79 PRO HG2 H 1 2.014 0.020 . 2 . . . A 105 PRO HG2 . 26031 1 1002 . 1 1 79 79 PRO HG3 H 1 1.902 0.020 . 2 . . . A 105 PRO HG3 . 26031 1 1003 . 1 1 79 79 PRO HD2 H 1 3.443 0.020 . 2 . . . A 105 PRO HD2 . 26031 1 1004 . 1 1 79 79 PRO HD3 H 1 3.338 0.020 . 2 . . . A 105 PRO HD3 . 26031 1 1005 . 1 1 79 79 PRO C C 13 176.123 0.300 . 1 . . . A 105 PRO C . 26031 1 1006 . 1 1 79 79 PRO CA C 13 62.783 0.300 . 1 . . . A 105 PRO CA . 26031 1 1007 . 1 1 79 79 PRO CB C 13 31.632 0.300 . 1 . . . A 105 PRO CB . 26031 1 1008 . 1 1 79 79 PRO CG C 13 27.297 0.300 . 1 . . . A 105 PRO CG . 26031 1 1009 . 1 1 79 79 PRO CD C 13 50.426 0.300 . 1 . . . A 105 PRO CD . 26031 1 1010 . 1 1 80 80 LYS H H 1 8.446 0.020 . 1 . . . A 106 LYS H . 26031 1 1011 . 1 1 80 80 LYS HA H 1 4.135 0.020 . 1 . . . A 106 LYS HA . 26031 1 1012 . 1 1 80 80 LYS HB2 H 1 1.730 0.020 . 2 . . . A 106 LYS HB2 . 26031 1 1013 . 1 1 80 80 LYS HB3 H 1 1.628 0.020 . 2 . . . A 106 LYS HB3 . 26031 1 1014 . 1 1 80 80 LYS HG2 H 1 1.390 0.020 . 2 . . . A 106 LYS HG2 . 26031 1 1015 . 1 1 80 80 LYS HG3 H 1 1.326 0.020 . 2 . . . A 106 LYS HG3 . 26031 1 1016 . 1 1 80 80 LYS HD2 H 1 1.575 0.020 . 1 . . . A 106 LYS HD2 . 26031 1 1017 . 1 1 80 80 LYS HD3 H 1 1.575 0.020 . 1 . . . A 106 LYS HD3 . 26031 1 1018 . 1 1 80 80 LYS HE2 H 1 2.895 0.020 . 1 . . . A 106 LYS HE2 . 26031 1 1019 . 1 1 80 80 LYS HE3 H 1 2.895 0.020 . 1 . . . A 106 LYS HE3 . 26031 1 1020 . 1 1 80 80 LYS C C 13 175.457 0.300 . 1 . . . A 106 LYS C . 26031 1 1021 . 1 1 80 80 LYS CA C 13 56.133 0.300 . 1 . . . A 106 LYS CA . 26031 1 1022 . 1 1 80 80 LYS CB C 13 32.573 0.300 . 1 . . . A 106 LYS CB . 26031 1 1023 . 1 1 80 80 LYS CG C 13 24.346 0.300 . 1 . . . A 106 LYS CG . 26031 1 1024 . 1 1 80 80 LYS CD C 13 28.767 0.300 . 1 . . . A 106 LYS CD . 26031 1 1025 . 1 1 80 80 LYS CE C 13 41.642 0.300 . 1 . . . A 106 LYS CE . 26031 1 1026 . 1 1 80 80 LYS N N 15 123.090 0.300 . 1 . . . A 106 LYS N . 26031 1 1027 . 1 1 81 81 ARG H H 1 7.847 0.020 . 1 . . . A 107 ARG H . 26031 1 1028 . 1 1 81 81 ARG HA H 1 4.069 0.020 . 1 . . . A 107 ARG HA . 26031 1 1029 . 1 1 81 81 ARG HB2 H 1 1.729 0.020 . 2 . . . A 107 ARG HB2 . 26031 1 1030 . 1 1 81 81 ARG HB3 H 1 1.592 0.020 . 2 . . . A 107 ARG HB3 . 26031 1 1031 . 1 1 81 81 ARG HG2 H 1 1.457 0.020 . 1 . . . A 107 ARG HG2 . 26031 1 1032 . 1 1 81 81 ARG HG3 H 1 1.457 0.020 . 1 . . . A 107 ARG HG3 . 26031 1 1033 . 1 1 81 81 ARG HD2 H 1 3.071 0.020 . 1 . . . A 107 ARG HD2 . 26031 1 1034 . 1 1 81 81 ARG HD3 H 1 3.071 0.020 . 1 . . . A 107 ARG HD3 . 26031 1 1035 . 1 1 81 81 ARG C C 13 180.628 0.300 . 1 . . . A 107 ARG C . 26031 1 1036 . 1 1 81 81 ARG CA C 13 56.980 0.300 . 1 . . . A 107 ARG CA . 26031 1 1037 . 1 1 81 81 ARG CB C 13 31.121 0.300 . 1 . . . A 107 ARG CB . 26031 1 1038 . 1 1 81 81 ARG CG C 13 26.691 0.300 . 1 . . . A 107 ARG CG . 26031 1 1039 . 1 1 81 81 ARG CD C 13 43.097 0.300 . 1 . . . A 107 ARG CD . 26031 1 1040 . 1 1 81 81 ARG N N 15 127.500 0.300 . 1 . . . A 107 ARG N . 26031 1 stop_ save_