data_34527 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34527 _Entry.Title ; Structure of the cysteine-rich domain of PiggyMac, a domesticated PiggyBac transposase involved in programmed genome rearrangements ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-07 _Entry.Accession_date 2020-07-07 _Entry.Last_release_date 2020-07-30 _Entry.Original_release_date 2020-07-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Bessa L. . . . 34527 2 M. Guerineau M. . . . 34527 3 S. Moriau S. . . . 34527 4 E. Lescop E. . . . 34527 5 F. Bontems F. . . . 34527 6 N. Mathy N. . . . 34527 7 E. Guittet E. . . . 34527 8 J. Bischerour J. . . . 34527 9 M. Betermier M. . . . 34527 10 N. Morellet N. . . . 34527 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GENE REGULATION' . 34527 'cysteine-riche domain' . 34527 piggyMac . 34527 transposase . 34527 zinc-finger . 34527 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34527 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 34527 '15N chemical shifts' 78 34527 '1H chemical shifts' 497 34527 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-09 2020-07-07 update BMRB 'update entry citation' 34527 1 . . 2021-06-18 2020-07-07 original author 'original release' 34527 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZOP 'BMRB Entry Tracking System' 34527 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34527 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33926516 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The unusual structure of the PiggyMac cysteine-rich domain reveals zinc finger diversity in PiggyBac-related transposases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mob. DNA' _Citation.Journal_name_full 'Mobile DNA' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1759-8753 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12 _Citation.Page_last 12 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Guerineau M. . . . 34527 1 2 L. Bessa L. . . . 34527 1 3 S. Moriau S. . . . 34527 1 4 E. Lescop E. . . . 34527 1 5 F. Bontems F. . . . 34527 1 6 N. Mathy N. . . . 34527 1 7 E. Guittet E. . . . 34527 1 8 J. Bischerour J. . . . 34527 1 9 M. Betermier M. . . . 34527 1 10 N. Morellet N. . . . 34527 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34527 _Assembly.ID 1 _Assembly.Name 'DDE_Tnp_1_7 domain-containing protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34527 1 2 unit_2 2 $entity_ZN B A no . . . . . . 34527 1 3 unit_3 2 $entity_ZN C A no . . . . . . 34527 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 HIS 17 17 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 2 coordination single . 1 . 1 HIS 65 65 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 3 coordination single . 1 . 1 CYS 39 39 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 4 coordination single . 1 . 1 CYS 42 42 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 5 coordination single . 1 . 1 CYS 28 28 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 6 coordination single . 1 . 1 CYS 31 31 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 7 coordination single . 1 . 1 CYS 53 53 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 8 coordination single . 1 . 1 CYS 61 61 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34527 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34527 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPEFSYFAKIQPHTFI EGEEIVKCSECGNETKVFCQ ECTILKAEVVGLCHEKDTIK CQRFHEFMDFELDKNKEVID KRKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9673.085 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34527 1 2 . PRO . 34527 1 3 . LEU . 34527 1 4 . GLY . 34527 1 5 . SER . 34527 1 6 . PRO . 34527 1 7 . GLU . 34527 1 8 . PHE . 34527 1 9 . SER . 34527 1 10 . TYR . 34527 1 11 . PHE . 34527 1 12 . ALA . 34527 1 13 . LYS . 34527 1 14 . ILE . 34527 1 15 . GLN . 34527 1 16 . PRO . 34527 1 17 . HIS . 34527 1 18 . THR . 34527 1 19 . PHE . 34527 1 20 . ILE . 34527 1 21 . GLU . 34527 1 22 . GLY . 34527 1 23 . GLU . 34527 1 24 . GLU . 34527 1 25 . ILE . 34527 1 26 . VAL . 34527 1 27 . LYS . 34527 1 28 . CYS . 34527 1 29 . SER . 34527 1 30 . GLU . 34527 1 31 . CYS . 34527 1 32 . GLY . 34527 1 33 . ASN . 34527 1 34 . GLU . 34527 1 35 . THR . 34527 1 36 . LYS . 34527 1 37 . VAL . 34527 1 38 . PHE . 34527 1 39 . CYS . 34527 1 40 . GLN . 34527 1 41 . GLU . 34527 1 42 . CYS . 34527 1 43 . THR . 34527 1 44 . ILE . 34527 1 45 . LEU . 34527 1 46 . LYS . 34527 1 47 . ALA . 34527 1 48 . GLU . 34527 1 49 . VAL . 34527 1 50 . VAL . 34527 1 51 . GLY . 34527 1 52 . LEU . 34527 1 53 . CYS . 34527 1 54 . HIS . 34527 1 55 . GLU . 34527 1 56 . LYS . 34527 1 57 . ASP . 34527 1 58 . THR . 34527 1 59 . ILE . 34527 1 60 . LYS . 34527 1 61 . CYS . 34527 1 62 . GLN . 34527 1 63 . ARG . 34527 1 64 . PHE . 34527 1 65 . HIS . 34527 1 66 . GLU . 34527 1 67 . PHE . 34527 1 68 . MET . 34527 1 69 . ASP . 34527 1 70 . PHE . 34527 1 71 . GLU . 34527 1 72 . LEU . 34527 1 73 . ASP . 34527 1 74 . LYS . 34527 1 75 . ASN . 34527 1 76 . LYS . 34527 1 77 . GLU . 34527 1 78 . VAL . 34527 1 79 . ILE . 34527 1 80 . ASP . 34527 1 81 . LYS . 34527 1 82 . ARG . 34527 1 83 . LYS . 34527 1 84 . GLY . 34527 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34527 1 . PRO 2 2 34527 1 . LEU 3 3 34527 1 . GLY 4 4 34527 1 . SER 5 5 34527 1 . PRO 6 6 34527 1 . GLU 7 7 34527 1 . PHE 8 8 34527 1 . SER 9 9 34527 1 . TYR 10 10 34527 1 . PHE 11 11 34527 1 . ALA 12 12 34527 1 . LYS 13 13 34527 1 . ILE 14 14 34527 1 . GLN 15 15 34527 1 . PRO 16 16 34527 1 . HIS 17 17 34527 1 . THR 18 18 34527 1 . PHE 19 19 34527 1 . ILE 20 20 34527 1 . GLU 21 21 34527 1 . GLY 22 22 34527 1 . GLU 23 23 34527 1 . GLU 24 24 34527 1 . ILE 25 25 34527 1 . VAL 26 26 34527 1 . LYS 27 27 34527 1 . CYS 28 28 34527 1 . SER 29 29 34527 1 . GLU 30 30 34527 1 . CYS 31 31 34527 1 . GLY 32 32 34527 1 . ASN 33 33 34527 1 . GLU 34 34 34527 1 . THR 35 35 34527 1 . LYS 36 36 34527 1 . VAL 37 37 34527 1 . PHE 38 38 34527 1 . CYS 39 39 34527 1 . GLN 40 40 34527 1 . GLU 41 41 34527 1 . CYS 42 42 34527 1 . THR 43 43 34527 1 . ILE 44 44 34527 1 . LEU 45 45 34527 1 . LYS 46 46 34527 1 . ALA 47 47 34527 1 . GLU 48 48 34527 1 . VAL 49 49 34527 1 . VAL 50 50 34527 1 . GLY 51 51 34527 1 . LEU 52 52 34527 1 . CYS 53 53 34527 1 . HIS 54 54 34527 1 . GLU 55 55 34527 1 . LYS 56 56 34527 1 . ASP 57 57 34527 1 . THR 58 58 34527 1 . ILE 59 59 34527 1 . LYS 60 60 34527 1 . CYS 61 61 34527 1 . GLN 62 62 34527 1 . ARG 63 63 34527 1 . PHE 64 64 34527 1 . HIS 65 65 34527 1 . GLU 66 66 34527 1 . PHE 67 67 34527 1 . MET 68 68 34527 1 . ASP 69 69 34527 1 . PHE 70 70 34527 1 . GLU 71 71 34527 1 . LEU 72 72 34527 1 . ASP 73 73 34527 1 . LYS 74 74 34527 1 . ASN 75 75 34527 1 . LYS 76 76 34527 1 . GLU 77 77 34527 1 . VAL 78 78 34527 1 . ILE 79 79 34527 1 . ASP 80 80 34527 1 . LYS 81 81 34527 1 . ARG 82 82 34527 1 . LYS 83 83 34527 1 . GLY 84 84 34527 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34527 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34527 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34527 2 ZN 'Three letter code' 34527 2 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 1 ZN $chem_comp_ZN 34527 2 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 34527 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 5888 organism . 'Paramecium tetraurelia' 'Paramecium tetraurelia' . . Eukaryota . Paramecium tetraurelia . . . . . . . . . . . GSPATT00016627001 . 34527 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 34527 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 34527 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 34527 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34527 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34527 ZN [Zn++] SMILES CACTVS 3.341 34527 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34527 ZN [Zn+2] SMILES ACDLabs 10.04 34527 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34527 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34527 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34527 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34527 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34527 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34527 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM U-15N U-13C cysteine-rich domain of PiggyMac, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cysteine-rich domain of PiggyMac' '[U-15N; U-13C]' . . 1 $entity_1 . . 400 . . uM 1 . . . 34527 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34527 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 1 mM 34527 1 pH 6.8 0.05 pH 34527 1 pressure 1 0.01 atm 34527 1 temperature 293 0.1 K 34527 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34527 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 34527 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34527 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34527 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34527 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34527 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34527 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34527 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34527 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 600 . . . 34527 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 800 . . . 34527 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 34527 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 2 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 8 '3D HCCCONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34527 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34527 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34527 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34527 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34527 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34527 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34527 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34527 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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 '3D HNCO' . . . 34527 1 2 '3D HNCACO' . . . 34527 1 3 '3D HNCA' . . . 34527 1 4 '3D HN(CO)CA' . . . 34527 1 5 '3D HNCACB' . . . 34527 1 6 '3D HN(COCA)CB' . . . 34527 1 7 '3D HCCH-TOCSY' . . . 34527 1 8 '3D HCCCONH' . . . 34527 1 9 '3D 1H-15N NOESY' . . . 34527 1 10 '3D 1H-13C NOESY' . . . 34527 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 176.914 0.025 . . . . . . A 2 PRO C . 34527 1 2 . 1 . 1 2 2 PRO CA C 13 62.971 0.000 . . . . . . A 2 PRO CA . 34527 1 3 . 1 . 1 2 2 PRO CB C 13 32.112 0.000 . . . . . . A 2 PRO CB . 34527 1 4 . 1 . 1 3 3 LEU H H 1 8.323 0.002 . . . . . . A 3 LEU H . 34527 1 5 . 1 . 1 3 3 LEU HA H 1 4.198 0.008 . . . . . . A 3 LEU HA . 34527 1 6 . 1 . 1 3 3 LEU C C 13 177.753 0.031 . . . . . . A 3 LEU C . 34527 1 7 . 1 . 1 3 3 LEU CA C 13 55.352 0.003 . . . . . . A 3 LEU CA . 34527 1 8 . 1 . 1 3 3 LEU CB C 13 42.075 0.016 . . . . . . A 3 LEU CB . 34527 1 9 . 1 . 1 3 3 LEU CG C 13 26.870 0.000 . . . . . . A 3 LEU CG . 34527 1 10 . 1 . 1 3 3 LEU CD1 C 13 24.752 0.000 . . . . . . A 3 LEU CD1 . 34527 1 11 . 1 . 1 3 3 LEU CD2 C 13 23.075 0.000 . . . . . . A 3 LEU CD2 . 34527 1 12 . 1 . 1 3 3 LEU N N 15 121.193 0.002 . . . . . . A 3 LEU N . 34527 1 13 . 1 . 1 4 4 GLY H H 1 8.206 0.000 . . . . . . A 4 GLY H . 34527 1 14 . 1 . 1 4 4 GLY C C 13 173.728 0.000 . . . . . . A 4 GLY C . 34527 1 15 . 1 . 1 4 4 GLY CA C 13 44.930 0.000 . . . . . . A 4 GLY CA . 34527 1 16 . 1 . 1 4 4 GLY N N 15 108.719 0.000 . . . . . . A 4 GLY N . 34527 1 17 . 1 . 1 5 5 SER H H 1 7.918 0.000 . . . . . . A 5 SER H . 34527 1 18 . 1 . 1 5 5 SER HB2 H 1 4.230 0.000 . . . . . . A 5 SER HB2 . 34527 1 19 . 1 . 1 5 5 SER C C 13 172.896 0.000 . . . . . . A 5 SER C . 34527 1 20 . 1 . 1 5 5 SER CA C 13 56.391 0.000 . . . . . . A 5 SER CA . 34527 1 21 . 1 . 1 5 5 SER CB C 13 63.305 0.035 . . . . . . A 5 SER CB . 34527 1 22 . 1 . 1 5 5 SER N N 15 115.744 0.007 . . . . . . A 5 SER N . 34527 1 23 . 1 . 1 6 6 PRO C C 13 176.819 0.008 . . . . . . A 6 PRO C . 34527 1 24 . 1 . 1 6 6 PRO CA C 13 63.501 0.001 . . . . . . A 6 PRO CA . 34527 1 25 . 1 . 1 6 6 PRO CB C 13 31.832 0.000 . . . . . . A 6 PRO CB . 34527 1 26 . 1 . 1 7 7 GLU H H 1 8.293 0.001 . . . . . . A 7 GLU H . 34527 1 27 . 1 . 1 7 7 GLU HA H 1 3.924 0.000 . . . . . . A 7 GLU HA . 34527 1 28 . 1 . 1 7 7 GLU C C 13 176.138 0.000 . . . . . . A 7 GLU C . 34527 1 29 . 1 . 1 7 7 GLU CA C 13 56.841 0.004 . . . . . . A 7 GLU CA . 34527 1 30 . 1 . 1 7 7 GLU CB C 13 29.911 0.002 . . . . . . A 7 GLU CB . 34527 1 31 . 1 . 1 7 7 GLU CG C 13 35.967 0.000 . . . . . . A 7 GLU CG . 34527 1 32 . 1 . 1 7 7 GLU N N 15 119.229 0.004 . . . . . . A 7 GLU N . 34527 1 33 . 1 . 1 8 8 PHE H H 1 7.869 0.002 . . . . . . A 8 PHE H . 34527 1 34 . 1 . 1 8 8 PHE HA H 1 4.348 0.001 . . . . . . A 8 PHE HA . 34527 1 35 . 1 . 1 8 8 PHE HB2 H 1 2.732 0.001 . . . . . . A 8 PHE HB2 . 34527 1 36 . 1 . 1 8 8 PHE HB3 H 1 2.837 0.001 . . . . . . A 8 PHE HB3 . 34527 1 37 . 1 . 1 8 8 PHE HD1 H 1 6.949 0.001 . . . . . . A 8 PHE HD1 . 34527 1 38 . 1 . 1 8 8 PHE HD2 H 1 6.949 0.001 . . . . . . A 8 PHE HD2 . 34527 1 39 . 1 . 1 8 8 PHE HE1 H 1 7.034 0.001 . . . . . . A 8 PHE HE1 . 34527 1 40 . 1 . 1 8 8 PHE HE2 H 1 7.034 0.001 . . . . . . A 8 PHE HE2 . 34527 1 41 . 1 . 1 8 8 PHE C C 13 175.524 0.000 . . . . . . A 8 PHE C . 34527 1 42 . 1 . 1 8 8 PHE CA C 13 57.627 0.009 . . . . . . A 8 PHE CA . 34527 1 43 . 1 . 1 8 8 PHE CB C 13 39.512 0.001 . . . . . . A 8 PHE CB . 34527 1 44 . 1 . 1 8 8 PHE CE1 C 13 131.381 0.000 . . . . . . A 8 PHE CE1 . 34527 1 45 . 1 . 1 8 8 PHE N N 15 119.125 0.003 . . . . . . A 8 PHE N . 34527 1 46 . 1 . 1 9 9 SER H H 1 7.865 0.002 . . . . . . A 9 SER H . 34527 1 47 . 1 . 1 9 9 SER HA H 1 4.119 0.002 . . . . . . A 9 SER HA . 34527 1 48 . 1 . 1 9 9 SER HB2 H 1 3.451 0.007 . . . . . . A 9 SER HB2 . 34527 1 49 . 1 . 1 9 9 SER HB3 H 1 3.507 0.009 . . . . . . A 9 SER HB3 . 34527 1 50 . 1 . 1 9 9 SER C C 13 173.852 0.000 . . . . . . A 9 SER C . 34527 1 51 . 1 . 1 9 9 SER CA C 13 57.977 0.016 . . . . . . A 9 SER CA . 34527 1 52 . 1 . 1 9 9 SER CB C 13 63.658 0.006 . . . . . . A 9 SER CB . 34527 1 53 . 1 . 1 9 9 SER N N 15 115.870 0.006 . . . . . . A 9 SER N . 34527 1 54 . 1 . 1 10 10 TYR H H 1 7.816 0.008 . . . . . . A 10 TYR H . 34527 1 55 . 1 . 1 10 10 TYR HA H 1 4.172 0.004 . . . . . . A 10 TYR HA . 34527 1 56 . 1 . 1 10 10 TYR HB2 H 1 2.630 0.006 . . . . . . A 10 TYR HB2 . 34527 1 57 . 1 . 1 10 10 TYR HB3 H 1 2.634 0.006 . . . . . . A 10 TYR HB3 . 34527 1 58 . 1 . 1 10 10 TYR HD1 H 1 6.746 0.004 . . . . . . A 10 TYR HD1 . 34527 1 59 . 1 . 1 10 10 TYR HD2 H 1 6.746 0.004 . . . . . . A 10 TYR HD2 . 34527 1 60 . 1 . 1 10 10 TYR HE1 H 1 6.551 0.003 . . . . . . A 10 TYR HE1 . 34527 1 61 . 1 . 1 10 10 TYR HE2 H 1 6.551 0.003 . . . . . . A 10 TYR HE2 . 34527 1 62 . 1 . 1 10 10 TYR C C 13 175.239 0.003 . . . . . . A 10 TYR C . 34527 1 63 . 1 . 1 10 10 TYR CA C 13 58.290 0.005 . . . . . . A 10 TYR CA . 34527 1 64 . 1 . 1 10 10 TYR CB C 13 38.613 0.019 . . . . . . A 10 TYR CB . 34527 1 65 . 1 . 1 10 10 TYR CD2 C 13 132.988 0.000 . . . . . . A 10 TYR CD2 . 34527 1 66 . 1 . 1 10 10 TYR CE1 C 13 118.065 0.000 . . . . . . A 10 TYR CE1 . 34527 1 67 . 1 . 1 10 10 TYR N N 15 120.922 0.018 . . . . . . A 10 TYR N . 34527 1 68 . 1 . 1 11 11 PHE H H 1 7.703 0.003 . . . . . . A 11 PHE H . 34527 1 69 . 1 . 1 11 11 PHE HA H 1 4.276 0.006 . . . . . . A 11 PHE HA . 34527 1 70 . 1 . 1 11 11 PHE HB2 H 1 2.877 0.001 . . . . . . A 11 PHE HB2 . 34527 1 71 . 1 . 1 11 11 PHE HB3 H 1 2.683 0.006 . . . . . . A 11 PHE HB3 . 34527 1 72 . 1 . 1 11 11 PHE HD1 H 1 6.981 0.000 . . . . . . A 11 PHE HD1 . 34527 1 73 . 1 . 1 11 11 PHE HD2 H 1 6.981 0.000 . . . . . . A 11 PHE HD2 . 34527 1 74 . 1 . 1 11 11 PHE HE1 H 1 7.110 0.001 . . . . . . A 11 PHE HE1 . 34527 1 75 . 1 . 1 11 11 PHE HE2 H 1 7.110 0.001 . . . . . . A 11 PHE HE2 . 34527 1 76 . 1 . 1 11 11 PHE C C 13 174.923 0.001 . . . . . . A 11 PHE C . 34527 1 77 . 1 . 1 11 11 PHE CA C 13 57.500 0.007 . . . . . . A 11 PHE CA . 34527 1 78 . 1 . 1 11 11 PHE CB C 13 39.488 0.026 . . . . . . A 11 PHE CB . 34527 1 79 . 1 . 1 11 11 PHE CE2 C 13 131.427 0.000 . . . . . . A 11 PHE CE2 . 34527 1 80 . 1 . 1 11 11 PHE N N 15 119.625 0.014 . . . . . . A 11 PHE N . 34527 1 81 . 1 . 1 12 12 ALA H H 1 7.794 0.004 . . . . . . A 12 ALA H . 34527 1 82 . 1 . 1 12 12 ALA HA H 1 3.991 0.001 . . . . . . A 12 ALA HA . 34527 1 83 . 1 . 1 12 12 ALA HB1 H 1 1.096 0.000 . . . . . . A 12 ALA HB1 . 34527 1 84 . 1 . 1 12 12 ALA HB2 H 1 1.096 0.000 . . . . . . A 12 ALA HB2 . 34527 1 85 . 1 . 1 12 12 ALA HB3 H 1 1.096 0.000 . . . . . . A 12 ALA HB3 . 34527 1 86 . 1 . 1 12 12 ALA C C 13 176.907 0.004 . . . . . . A 12 ALA C . 34527 1 87 . 1 . 1 12 12 ALA CA C 13 52.290 0.007 . . . . . . A 12 ALA CA . 34527 1 88 . 1 . 1 12 12 ALA CB C 13 19.229 0.011 . . . . . . A 12 ALA CB . 34527 1 89 . 1 . 1 12 12 ALA N N 15 123.574 0.111 . . . . . . A 12 ALA N . 34527 1 90 . 1 . 1 13 13 LYS H H 1 7.915 0.001 . . . . . . A 13 LYS H . 34527 1 91 . 1 . 1 13 13 LYS HA H 1 4.096 0.020 . . . . . . A 13 LYS HA . 34527 1 92 . 1 . 1 13 13 LYS HB2 H 1 1.531 0.028 . . . . . . A 13 LYS HB2 . 34527 1 93 . 1 . 1 13 13 LYS HB3 H 1 1.639 0.032 . . . . . . A 13 LYS HB3 . 34527 1 94 . 1 . 1 13 13 LYS HG2 H 1 1.192 0.001 . . . . . . A 13 LYS HG2 . 34527 1 95 . 1 . 1 13 13 LYS HD2 H 1 1.450 0.000 . . . . . . A 13 LYS HD2 . 34527 1 96 . 1 . 1 13 13 LYS HD3 H 1 1.450 0.000 . . . . . . A 13 LYS HD3 . 34527 1 97 . 1 . 1 13 13 LYS C C 13 176.109 0.005 . . . . . . A 13 LYS C . 34527 1 98 . 1 . 1 13 13 LYS CA C 13 56.065 0.040 . . . . . . A 13 LYS CA . 34527 1 99 . 1 . 1 13 13 LYS CB C 13 32.909 0.012 . . . . . . A 13 LYS CB . 34527 1 100 . 1 . 1 13 13 LYS CG C 13 24.537 0.044 . . . . . . A 13 LYS CG . 34527 1 101 . 1 . 1 13 13 LYS CD C 13 28.955 0.047 . . . . . . A 13 LYS CD . 34527 1 102 . 1 . 1 13 13 LYS N N 15 119.219 0.008 . . . . . . A 13 LYS N . 34527 1 103 . 1 . 1 14 14 ILE H H 1 7.919 0.004 . . . . . . A 14 ILE H . 34527 1 104 . 1 . 1 14 14 ILE HA H 1 3.870 0.000 . . . . . . A 14 ILE HA . 34527 1 105 . 1 . 1 14 14 ILE HB H 1 1.603 0.001 . . . . . . A 14 ILE HB . 34527 1 106 . 1 . 1 14 14 ILE HG12 H 1 1.236 0.001 . . . . . . A 14 ILE HG12 . 34527 1 107 . 1 . 1 14 14 ILE HG13 H 1 0.948 0.001 . . . . . . A 14 ILE HG13 . 34527 1 108 . 1 . 1 14 14 ILE HG21 H 1 0.649 0.002 . . . . . . A 14 ILE HG21 . 34527 1 109 . 1 . 1 14 14 ILE HG22 H 1 0.649 0.002 . . . . . . A 14 ILE HG22 . 34527 1 110 . 1 . 1 14 14 ILE HG23 H 1 0.649 0.002 . . . . . . A 14 ILE HG23 . 34527 1 111 . 1 . 1 14 14 ILE HD11 H 1 0.608 0.004 . . . . . . A 14 ILE HD11 . 34527 1 112 . 1 . 1 14 14 ILE HD12 H 1 0.608 0.004 . . . . . . A 14 ILE HD12 . 34527 1 113 . 1 . 1 14 14 ILE HD13 H 1 0.608 0.004 . . . . . . A 14 ILE HD13 . 34527 1 114 . 1 . 1 14 14 ILE C C 13 175.602 0.018 . . . . . . A 14 ILE C . 34527 1 115 . 1 . 1 14 14 ILE CA C 13 61.022 0.017 . . . . . . A 14 ILE CA . 34527 1 116 . 1 . 1 14 14 ILE CB C 13 38.556 0.007 . . . . . . A 14 ILE CB . 34527 1 117 . 1 . 1 14 14 ILE CG1 C 13 27.185 0.023 . . . . . . A 14 ILE CG1 . 34527 1 118 . 1 . 1 14 14 ILE CG2 C 13 17.363 0.076 . . . . . . A 14 ILE CG2 . 34527 1 119 . 1 . 1 14 14 ILE CD1 C 13 12.743 0.048 . . . . . . A 14 ILE CD1 . 34527 1 120 . 1 . 1 14 14 ILE N N 15 121.111 0.021 . . . . . . A 14 ILE N . 34527 1 121 . 1 . 1 15 15 GLN H H 1 8.186 0.001 . . . . . . A 15 GLN H . 34527 1 122 . 1 . 1 15 15 GLN HA H 1 4.302 0.002 . . . . . . A 15 GLN HA . 34527 1 123 . 1 . 1 15 15 GLN HB2 H 1 1.665 0.001 . . . . . . A 15 GLN HB2 . 34527 1 124 . 1 . 1 15 15 GLN HB3 H 1 1.665 0.001 . . . . . . A 15 GLN HB3 . 34527 1 125 . 1 . 1 15 15 GLN HG2 H 1 2.003 0.000 . . . . . . A 15 GLN HG2 . 34527 1 126 . 1 . 1 15 15 GLN HG3 H 1 1.870 0.004 . . . . . . A 15 GLN HG3 . 34527 1 127 . 1 . 1 15 15 GLN C C 13 172.858 0.000 . . . . . . A 15 GLN C . 34527 1 128 . 1 . 1 15 15 GLN CA C 13 52.991 0.066 . . . . . . A 15 GLN CA . 34527 1 129 . 1 . 1 15 15 GLN CB C 13 29.708 0.034 . . . . . . A 15 GLN CB . 34527 1 130 . 1 . 1 15 15 GLN CG C 13 33.124 0.034 . . . . . . A 15 GLN CG . 34527 1 131 . 1 . 1 15 15 GLN N N 15 125.139 0.007 . . . . . . A 15 GLN N . 34527 1 132 . 1 . 1 16 16 PRO HA H 1 4.109 0.001 . . . . . . A 16 PRO HA . 34527 1 133 . 1 . 1 16 16 PRO HB2 H 1 1.820 0.000 . . . . . . A 16 PRO HB2 . 34527 1 134 . 1 . 1 16 16 PRO HB3 H 1 1.514 0.002 . . . . . . A 16 PRO HB3 . 34527 1 135 . 1 . 1 16 16 PRO HD2 H 1 3.305 0.000 . . . . . . A 16 PRO HD2 . 34527 1 136 . 1 . 1 16 16 PRO HD3 H 1 3.406 0.004 . . . . . . A 16 PRO HD3 . 34527 1 137 . 1 . 1 16 16 PRO C C 13 174.619 0.001 . . . . . . A 16 PRO C . 34527 1 138 . 1 . 1 16 16 PRO CA C 13 62.429 0.011 . . . . . . A 16 PRO CA . 34527 1 139 . 1 . 1 16 16 PRO CB C 13 31.994 0.037 . . . . . . A 16 PRO CB . 34527 1 140 . 1 . 1 16 16 PRO CG C 13 27.120 0.032 . . . . . . A 16 PRO CG . 34527 1 141 . 1 . 1 16 16 PRO CD C 13 50.298 0.058 . . . . . . A 16 PRO CD . 34527 1 142 . 1 . 1 17 17 HIS H H 1 7.503 0.006 . . . . . . A 17 HIS H . 34527 1 143 . 1 . 1 17 17 HIS HA H 1 4.216 0.004 . . . . . . A 17 HIS HA . 34527 1 144 . 1 . 1 17 17 HIS HB2 H 1 3.039 0.007 . . . . . . A 17 HIS HB2 . 34527 1 145 . 1 . 1 17 17 HIS HB3 H 1 2.371 0.007 . . . . . . A 17 HIS HB3 . 34527 1 146 . 1 . 1 17 17 HIS HD2 H 1 6.915 0.009 . . . . . . A 17 HIS HD2 . 34527 1 147 . 1 . 1 17 17 HIS HE1 H 1 7.094 0.001 . . . . . . A 17 HIS HE1 . 34527 1 148 . 1 . 1 17 17 HIS CA C 13 55.556 0.072 . . . . . . A 17 HIS CA . 34527 1 149 . 1 . 1 17 17 HIS CB C 13 32.226 0.019 . . . . . . A 17 HIS CB . 34527 1 150 . 1 . 1 17 17 HIS CD2 C 13 120.170 0.000 . . . . . . A 17 HIS CD2 . 34527 1 151 . 1 . 1 17 17 HIS CE1 C 13 138.983 0.000 . . . . . . A 17 HIS CE1 . 34527 1 152 . 1 . 1 17 17 HIS N N 15 116.347 0.013 . . . . . . A 17 HIS N . 34527 1 153 . 1 . 1 18 18 THR H H 1 10.412 0.007 . . . . . . A 18 THR H . 34527 1 154 . 1 . 1 18 18 THR HA H 1 4.075 0.000 . . . . . . A 18 THR HA . 34527 1 155 . 1 . 1 18 18 THR HB H 1 3.645 0.000 . . . . . . A 18 THR HB . 34527 1 156 . 1 . 1 18 18 THR HG21 H 1 0.830 0.004 . . . . . . A 18 THR HG21 . 34527 1 157 . 1 . 1 18 18 THR HG22 H 1 0.830 0.004 . . . . . . A 18 THR HG22 . 34527 1 158 . 1 . 1 18 18 THR HG23 H 1 0.830 0.004 . . . . . . A 18 THR HG23 . 34527 1 159 . 1 . 1 18 18 THR C C 13 172.891 0.002 . . . . . . A 18 THR C . 34527 1 160 . 1 . 1 18 18 THR CA C 13 62.080 0.063 . . . . . . A 18 THR CA . 34527 1 161 . 1 . 1 18 18 THR CB C 13 67.384 0.009 . . . . . . A 18 THR CB . 34527 1 162 . 1 . 1 18 18 THR CG2 C 13 21.221 0.020 . . . . . . A 18 THR CG2 . 34527 1 163 . 1 . 1 18 18 THR N N 15 125.635 0.010 . . . . . . A 18 THR N . 34527 1 164 . 1 . 1 19 19 PHE H H 1 8.047 0.003 . . . . . . A 19 PHE H . 34527 1 165 . 1 . 1 19 19 PHE HA H 1 4.975 0.005 . . . . . . A 19 PHE HA . 34527 1 166 . 1 . 1 19 19 PHE HB2 H 1 2.504 0.005 . . . . . . A 19 PHE HB2 . 34527 1 167 . 1 . 1 19 19 PHE HB3 H 1 2.376 0.003 . . . . . . A 19 PHE HB3 . 34527 1 168 . 1 . 1 19 19 PHE HD1 H 1 6.672 0.004 . . . . . . A 19 PHE HD1 . 34527 1 169 . 1 . 1 19 19 PHE HD2 H 1 6.672 0.004 . . . . . . A 19 PHE HD2 . 34527 1 170 . 1 . 1 19 19 PHE HE1 H 1 6.933 0.007 . . . . . . A 19 PHE HE1 . 34527 1 171 . 1 . 1 19 19 PHE HE2 H 1 6.933 0.007 . . . . . . A 19 PHE HE2 . 34527 1 172 . 1 . 1 19 19 PHE C C 13 175.422 0.008 . . . . . . A 19 PHE C . 34527 1 173 . 1 . 1 19 19 PHE CA C 13 56.254 0.022 . . . . . . A 19 PHE CA . 34527 1 174 . 1 . 1 19 19 PHE CB C 13 37.839 0.018 . . . . . . A 19 PHE CB . 34527 1 175 . 1 . 1 19 19 PHE CD1 C 13 131.202 0.000 . . . . . . A 19 PHE CD1 . 34527 1 176 . 1 . 1 19 19 PHE CE2 C 13 128.260 0.000 . . . . . . A 19 PHE CE2 . 34527 1 177 . 1 . 1 19 19 PHE N N 15 125.658 0.091 . . . . . . A 19 PHE N . 34527 1 178 . 1 . 1 20 20 ILE H H 1 8.528 0.003 . . . . . . A 20 ILE H . 34527 1 179 . 1 . 1 20 20 ILE HA H 1 4.017 0.008 . . . . . . A 20 ILE HA . 34527 1 180 . 1 . 1 20 20 ILE HB H 1 0.714 0.000 . . . . . . A 20 ILE HB . 34527 1 181 . 1 . 1 20 20 ILE HG12 H 1 0.615 0.002 . . . . . . A 20 ILE HG12 . 34527 1 182 . 1 . 1 20 20 ILE HG13 H 1 0.725 0.002 . . . . . . A 20 ILE HG13 . 34527 1 183 . 1 . 1 20 20 ILE HG21 H 1 0.450 0.000 . . . . . . A 20 ILE HG21 . 34527 1 184 . 1 . 1 20 20 ILE HG22 H 1 0.450 0.000 . . . . . . A 20 ILE HG22 . 34527 1 185 . 1 . 1 20 20 ILE HG23 H 1 0.450 0.000 . . . . . . A 20 ILE HG23 . 34527 1 186 . 1 . 1 20 20 ILE HD11 H 1 0.450 0.001 . . . . . . A 20 ILE HD11 . 34527 1 187 . 1 . 1 20 20 ILE HD12 H 1 0.450 0.001 . . . . . . A 20 ILE HD12 . 34527 1 188 . 1 . 1 20 20 ILE HD13 H 1 0.450 0.001 . . . . . . A 20 ILE HD13 . 34527 1 189 . 1 . 1 20 20 ILE C C 13 173.188 0.009 . . . . . . A 20 ILE C . 34527 1 190 . 1 . 1 20 20 ILE CA C 13 58.325 0.013 . . . . . . A 20 ILE CA . 34527 1 191 . 1 . 1 20 20 ILE CB C 13 40.203 0.026 . . . . . . A 20 ILE CB . 34527 1 192 . 1 . 1 20 20 ILE CG1 C 13 26.242 0.034 . . . . . . A 20 ILE CG1 . 34527 1 193 . 1 . 1 20 20 ILE CG2 C 13 17.442 0.068 . . . . . . A 20 ILE CG2 . 34527 1 194 . 1 . 1 20 20 ILE CD1 C 13 12.057 0.040 . . . . . . A 20 ILE CD1 . 34527 1 195 . 1 . 1 20 20 ILE N N 15 125.090 0.022 . . . . . . A 20 ILE N . 34527 1 196 . 1 . 1 21 21 GLU H H 1 8.228 0.001 . . . . . . A 21 GLU H . 34527 1 197 . 1 . 1 21 21 GLU HA H 1 4.203 0.003 . . . . . . A 21 GLU HA . 34527 1 198 . 1 . 1 21 21 GLU HB2 H 1 1.699 0.000 . . . . . . A 21 GLU HB2 . 34527 1 199 . 1 . 1 21 21 GLU HB3 H 1 1.950 0.003 . . . . . . A 21 GLU HB3 . 34527 1 200 . 1 . 1 21 21 GLU HG2 H 1 2.190 0.002 . . . . . . A 21 GLU HG2 . 34527 1 201 . 1 . 1 21 21 GLU HG3 H 1 1.970 0.004 . . . . . . A 21 GLU HG3 . 34527 1 202 . 1 . 1 21 21 GLU C C 13 176.313 0.001 . . . . . . A 21 GLU C . 34527 1 203 . 1 . 1 21 21 GLU CA C 13 56.307 0.060 . . . . . . A 21 GLU CA . 34527 1 204 . 1 . 1 21 21 GLU CB C 13 30.486 0.006 . . . . . . A 21 GLU CB . 34527 1 205 . 1 . 1 21 21 GLU CG C 13 37.405 0.017 . . . . . . A 21 GLU CG . 34527 1 206 . 1 . 1 21 21 GLU N N 15 121.952 0.006 . . . . . . A 21 GLU N . 34527 1 207 . 1 . 1 22 22 GLY H H 1 8.413 0.002 . . . . . . A 22 GLY H . 34527 1 208 . 1 . 1 22 22 GLY HA2 H 1 3.902 0.000 . . . . . . A 22 GLY HA2 . 34527 1 209 . 1 . 1 22 22 GLY HA3 H 1 3.902 0.000 . . . . . . A 22 GLY HA3 . 34527 1 210 . 1 . 1 22 22 GLY C C 13 172.552 0.008 . . . . . . A 22 GLY C . 34527 1 211 . 1 . 1 22 22 GLY CA C 13 44.157 0.050 . . . . . . A 22 GLY CA . 34527 1 212 . 1 . 1 22 22 GLY N N 15 114.553 0.037 . . . . . . A 22 GLY N . 34527 1 213 . 1 . 1 23 23 GLU H H 1 8.415 0.001 . . . . . . A 23 GLU H . 34527 1 214 . 1 . 1 23 23 GLU HA H 1 4.275 0.001 . . . . . . A 23 GLU HA . 34527 1 215 . 1 . 1 23 23 GLU HB2 H 1 1.961 0.001 . . . . . . A 23 GLU HB2 . 34527 1 216 . 1 . 1 23 23 GLU HG2 H 1 2.040 0.001 . . . . . . A 23 GLU HG2 . 34527 1 217 . 1 . 1 23 23 GLU HG3 H 1 2.105 0.004 . . . . . . A 23 GLU HG3 . 34527 1 218 . 1 . 1 23 23 GLU C C 13 176.673 0.010 . . . . . . A 23 GLU C . 34527 1 219 . 1 . 1 23 23 GLU CA C 13 56.391 0.031 . . . . . . A 23 GLU CA . 34527 1 220 . 1 . 1 23 23 GLU CB C 13 31.551 0.013 . . . . . . A 23 GLU CB . 34527 1 221 . 1 . 1 23 23 GLU CG C 13 36.327 0.032 . . . . . . A 23 GLU CG . 34527 1 222 . 1 . 1 23 23 GLU N N 15 114.430 0.006 . . . . . . A 23 GLU N . 34527 1 223 . 1 . 1 24 24 GLU H H 1 7.491 0.001 . . . . . . A 24 GLU H . 34527 1 224 . 1 . 1 24 24 GLU HA H 1 4.219 0.004 . . . . . . A 24 GLU HA . 34527 1 225 . 1 . 1 24 24 GLU HB2 H 1 1.596 0.008 . . . . . . A 24 GLU HB2 . 34527 1 226 . 1 . 1 24 24 GLU HB3 H 1 1.659 0.004 . . . . . . A 24 GLU HB3 . 34527 1 227 . 1 . 1 24 24 GLU HG2 H 1 1.972 0.025 . . . . . . A 24 GLU HG2 . 34527 1 228 . 1 . 1 24 24 GLU HG3 H 1 1.957 0.000 . . . . . . A 24 GLU HG3 . 34527 1 229 . 1 . 1 24 24 GLU C C 13 175.227 0.004 . . . . . . A 24 GLU C . 34527 1 230 . 1 . 1 24 24 GLU CA C 13 55.130 0.020 . . . . . . A 24 GLU CA . 34527 1 231 . 1 . 1 24 24 GLU CB C 13 31.460 0.009 . . . . . . A 24 GLU CB . 34527 1 232 . 1 . 1 24 24 GLU CG C 13 35.837 0.027 . . . . . . A 24 GLU CG . 34527 1 233 . 1 . 1 24 24 GLU N N 15 117.866 0.005 . . . . . . A 24 GLU N . 34527 1 234 . 1 . 1 25 25 ILE H H 1 8.348 0.002 . . . . . . A 25 ILE H . 34527 1 235 . 1 . 1 25 25 ILE HA H 1 3.916 0.001 . . . . . . A 25 ILE HA . 34527 1 236 . 1 . 1 25 25 ILE HB H 1 1.513 0.001 . . . . . . A 25 ILE HB . 34527 1 237 . 1 . 1 25 25 ILE HG12 H 1 0.791 0.001 . . . . . . A 25 ILE HG12 . 34527 1 238 . 1 . 1 25 25 ILE HG13 H 1 1.372 0.002 . . . . . . A 25 ILE HG13 . 34527 1 239 . 1 . 1 25 25 ILE HG21 H 1 0.620 0.001 . . . . . . A 25 ILE HG21 . 34527 1 240 . 1 . 1 25 25 ILE HG22 H 1 0.620 0.001 . . . . . . A 25 ILE HG22 . 34527 1 241 . 1 . 1 25 25 ILE HG23 H 1 0.620 0.001 . . . . . . A 25 ILE HG23 . 34527 1 242 . 1 . 1 25 25 ILE HD11 H 1 0.605 0.001 . . . . . . A 25 ILE HD11 . 34527 1 243 . 1 . 1 25 25 ILE HD12 H 1 0.605 0.001 . . . . . . A 25 ILE HD12 . 34527 1 244 . 1 . 1 25 25 ILE HD13 H 1 0.605 0.001 . . . . . . A 25 ILE HD13 . 34527 1 245 . 1 . 1 25 25 ILE C C 13 176.109 0.006 . . . . . . A 25 ILE C . 34527 1 246 . 1 . 1 25 25 ILE CA C 13 61.579 0.021 . . . . . . A 25 ILE CA . 34527 1 247 . 1 . 1 25 25 ILE CB C 13 37.298 0.035 . . . . . . A 25 ILE CB . 34527 1 248 . 1 . 1 25 25 ILE CG1 C 13 28.115 0.041 . . . . . . A 25 ILE CG1 . 34527 1 249 . 1 . 1 25 25 ILE CG2 C 13 17.968 0.019 . . . . . . A 25 ILE CG2 . 34527 1 250 . 1 . 1 25 25 ILE CD1 C 13 12.614 0.035 . . . . . . A 25 ILE CD1 . 34527 1 251 . 1 . 1 25 25 ILE N N 15 122.625 0.012 . . . . . . A 25 ILE N . 34527 1 252 . 1 . 1 26 26 VAL H H 1 9.123 0.002 . . . . . . A 26 VAL H . 34527 1 253 . 1 . 1 26 26 VAL HA H 1 4.450 0.001 . . . . . . A 26 VAL HA . 34527 1 254 . 1 . 1 26 26 VAL HB H 1 2.095 0.004 . . . . . . A 26 VAL HB . 34527 1 255 . 1 . 1 26 26 VAL HG11 H 1 0.553 0.000 . . . . . . A 26 VAL HG11 . 34527 1 256 . 1 . 1 26 26 VAL HG12 H 1 0.553 0.000 . . . . . . A 26 VAL HG12 . 34527 1 257 . 1 . 1 26 26 VAL HG13 H 1 0.553 0.000 . . . . . . A 26 VAL HG13 . 34527 1 258 . 1 . 1 26 26 VAL HG21 H 1 0.401 0.000 . . . . . . A 26 VAL HG21 . 34527 1 259 . 1 . 1 26 26 VAL HG22 H 1 0.401 0.000 . . . . . . A 26 VAL HG22 . 34527 1 260 . 1 . 1 26 26 VAL HG23 H 1 0.401 0.000 . . . . . . A 26 VAL HG23 . 34527 1 261 . 1 . 1 26 26 VAL C C 13 173.805 0.002 . . . . . . A 26 VAL C . 34527 1 262 . 1 . 1 26 26 VAL CA C 13 59.008 0.012 . . . . . . A 26 VAL CA . 34527 1 263 . 1 . 1 26 26 VAL CB C 13 34.382 0.056 . . . . . . A 26 VAL CB . 34527 1 264 . 1 . 1 26 26 VAL CG1 C 13 21.456 0.012 . . . . . . A 26 VAL CG1 . 34527 1 265 . 1 . 1 26 26 VAL CG2 C 13 18.114 0.000 . . . . . . A 26 VAL CG2 . 34527 1 266 . 1 . 1 26 26 VAL N N 15 123.821 0.027 . . . . . . A 26 VAL N . 34527 1 267 . 1 . 1 27 27 LYS H H 1 7.966 0.002 . . . . . . A 27 LYS H . 34527 1 268 . 1 . 1 27 27 LYS HA H 1 4.278 0.000 . . . . . . A 27 LYS HA . 34527 1 269 . 1 . 1 27 27 LYS HB2 H 1 1.428 0.000 . . . . . . A 27 LYS HB2 . 34527 1 270 . 1 . 1 27 27 LYS HB3 H 1 1.242 0.002 . . . . . . A 27 LYS HB3 . 34527 1 271 . 1 . 1 27 27 LYS HG2 H 1 1.114 0.002 . . . . . . A 27 LYS HG2 . 34527 1 272 . 1 . 1 27 27 LYS HG3 H 1 1.223 0.000 . . . . . . A 27 LYS HG3 . 34527 1 273 . 1 . 1 27 27 LYS HD2 H 1 1.398 0.002 . . . . . . A 27 LYS HD2 . 34527 1 274 . 1 . 1 27 27 LYS HD3 H 1 1.398 0.002 . . . . . . A 27 LYS HD3 . 34527 1 275 . 1 . 1 27 27 LYS C C 13 176.463 0.007 . . . . . . A 27 LYS C . 34527 1 276 . 1 . 1 27 27 LYS CA C 13 54.476 0.011 . . . . . . A 27 LYS CA . 34527 1 277 . 1 . 1 27 27 LYS CB C 13 33.342 0.067 . . . . . . A 27 LYS CB . 34527 1 278 . 1 . 1 27 27 LYS CG C 13 24.727 0.058 . . . . . . A 27 LYS CG . 34527 1 279 . 1 . 1 27 27 LYS CD C 13 28.404 0.077 . . . . . . A 27 LYS CD . 34527 1 280 . 1 . 1 27 27 LYS CE C 13 42.174 0.130 . . . . . . A 27 LYS CE . 34527 1 281 . 1 . 1 27 27 LYS N N 15 116.107 0.010 . . . . . . A 27 LYS N . 34527 1 282 . 1 . 1 28 28 CYS H H 1 9.207 0.002 . . . . . . A 28 CYS H . 34527 1 283 . 1 . 1 28 28 CYS HA H 1 3.392 0.008 . . . . . . A 28 CYS HA . 34527 1 284 . 1 . 1 28 28 CYS HB2 H 1 2.923 0.000 . . . . . . A 28 CYS HB2 . 34527 1 285 . 1 . 1 28 28 CYS HB3 H 1 2.757 0.001 . . . . . . A 28 CYS HB3 . 34527 1 286 . 1 . 1 28 28 CYS C C 13 177.900 0.014 . . . . . . A 28 CYS C . 34527 1 287 . 1 . 1 28 28 CYS CA C 13 60.256 0.019 . . . . . . A 28 CYS CA . 34527 1 288 . 1 . 1 28 28 CYS CB C 13 29.927 0.014 . . . . . . A 28 CYS CB . 34527 1 289 . 1 . 1 28 28 CYS N N 15 124.253 0.001 . . . . . . A 28 CYS N . 34527 1 290 . 1 . 1 29 29 SER H H 1 9.155 0.002 . . . . . . A 29 SER H . 34527 1 291 . 1 . 1 29 29 SER HA H 1 3.962 0.002 . . . . . . A 29 SER HA . 34527 1 292 . 1 . 1 29 29 SER HB2 H 1 4.181 0.001 . . . . . . A 29 SER HB2 . 34527 1 293 . 1 . 1 29 29 SER HB3 H 1 3.988 0.001 . . . . . . A 29 SER HB3 . 34527 1 294 . 1 . 1 29 29 SER C C 13 174.114 0.001 . . . . . . A 29 SER C . 34527 1 295 . 1 . 1 29 29 SER CA C 13 60.892 0.010 . . . . . . A 29 SER CA . 34527 1 296 . 1 . 1 29 29 SER CB C 13 64.383 0.059 . . . . . . A 29 SER CB . 34527 1 297 . 1 . 1 29 29 SER N N 15 126.180 0.041 . . . . . . A 29 SER N . 34527 1 298 . 1 . 1 30 30 GLU H H 1 9.151 0.001 . . . . . . A 30 GLU H . 34527 1 299 . 1 . 1 30 30 GLU HA H 1 4.380 0.002 . . . . . . A 30 GLU HA . 34527 1 300 . 1 . 1 30 30 GLU HB2 H 1 1.891 0.045 . . . . . . A 30 GLU HB2 . 34527 1 301 . 1 . 1 30 30 GLU HB3 H 1 1.985 0.001 . . . . . . A 30 GLU HB3 . 34527 1 302 . 1 . 1 30 30 GLU HG2 H 1 2.495 0.001 . . . . . . A 30 GLU HG2 . 34527 1 303 . 1 . 1 30 30 GLU HG3 H 1 2.018 0.001 . . . . . . A 30 GLU HG3 . 34527 1 304 . 1 . 1 30 30 GLU C C 13 177.519 0.002 . . . . . . A 30 GLU C . 34527 1 305 . 1 . 1 30 30 GLU CA C 13 57.343 0.010 . . . . . . A 30 GLU CA . 34527 1 306 . 1 . 1 30 30 GLU CB C 13 30.463 0.014 . . . . . . A 30 GLU CB . 34527 1 307 . 1 . 1 30 30 GLU CG C 13 35.027 0.018 . . . . . . A 30 GLU CG . 34527 1 308 . 1 . 1 30 30 GLU N N 15 122.152 0.048 . . . . . . A 30 GLU N . 34527 1 309 . 1 . 1 31 31 CYS H H 1 8.201 0.004 . . . . . . A 31 CYS H . 34527 1 310 . 1 . 1 31 31 CYS HA H 1 4.812 0.001 . . . . . . A 31 CYS HA . 34527 1 311 . 1 . 1 31 31 CYS HB2 H 1 2.943 0.001 . . . . . . A 31 CYS HB2 . 34527 1 312 . 1 . 1 31 31 CYS HB3 H 1 2.478 0.001 . . . . . . A 31 CYS HB3 . 34527 1 313 . 1 . 1 31 31 CYS C C 13 176.834 0.000 . . . . . . A 31 CYS C . 34527 1 314 . 1 . 1 31 31 CYS CA C 13 58.857 0.012 . . . . . . A 31 CYS CA . 34527 1 315 . 1 . 1 31 31 CYS CB C 13 33.098 0.017 . . . . . . A 31 CYS CB . 34527 1 316 . 1 . 1 31 31 CYS N N 15 117.403 0.022 . . . . . . A 31 CYS N . 34527 1 317 . 1 . 1 32 32 GLY H H 1 7.889 0.002 . . . . . . A 32 GLY H . 34527 1 318 . 1 . 1 32 32 GLY HA2 H 1 4.107 0.001 . . . . . . A 32 GLY HA2 . 34527 1 319 . 1 . 1 32 32 GLY HA3 H 1 3.526 0.001 . . . . . . A 32 GLY HA2 . 34527 1 320 . 1 . 1 32 32 GLY C C 13 173.302 0.006 . . . . . . A 32 GLY C . 34527 1 321 . 1 . 1 32 32 GLY CA C 13 46.101 0.012 . . . . . . A 32 GLY CA . 34527 1 322 . 1 . 1 32 32 GLY N N 15 111.856 0.013 . . . . . . A 32 GLY N . 34527 1 323 . 1 . 1 33 33 ASN H H 1 8.578 0.001 . . . . . . A 33 ASN H . 34527 1 324 . 1 . 1 33 33 ASN HA H 1 4.457 0.001 . . . . . . A 33 ASN HA . 34527 1 325 . 1 . 1 33 33 ASN HB2 H 1 2.529 0.000 . . . . . . A 33 ASN HB2 . 34527 1 326 . 1 . 1 33 33 ASN HB3 H 1 2.529 0.000 . . . . . . A 33 ASN HB3 . 34527 1 327 . 1 . 1 33 33 ASN C C 13 175.041 0.005 . . . . . . A 33 ASN C . 34527 1 328 . 1 . 1 33 33 ASN CA C 13 53.415 0.010 . . . . . . A 33 ASN CA . 34527 1 329 . 1 . 1 33 33 ASN CB C 13 39.242 0.004 . . . . . . A 33 ASN CB . 34527 1 330 . 1 . 1 33 33 ASN N N 15 121.485 0.003 . . . . . . A 33 ASN N . 34527 1 331 . 1 . 1 34 34 GLU H H 1 8.344 0.002 . . . . . . A 34 GLU H . 34527 1 332 . 1 . 1 34 34 GLU HA H 1 4.265 0.002 . . . . . . A 34 GLU HA . 34527 1 333 . 1 . 1 34 34 GLU HB2 H 1 1.702 0.002 . . . . . . A 34 GLU HB2 . 34527 1 334 . 1 . 1 34 34 GLU HB3 H 1 1.617 0.004 . . . . . . A 34 GLU HB3 . 34527 1 335 . 1 . 1 34 34 GLU HG2 H 1 1.870 0.001 . . . . . . A 34 GLU HG2 . 34527 1 336 . 1 . 1 34 34 GLU HG3 H 1 2.218 0.001 . . . . . . A 34 GLU HG3 . 34527 1 337 . 1 . 1 34 34 GLU C C 13 177.125 0.007 . . . . . . A 34 GLU C . 34527 1 338 . 1 . 1 34 34 GLU CA C 13 57.764 0.028 . . . . . . A 34 GLU CA . 34527 1 339 . 1 . 1 34 34 GLU CB C 13 30.122 0.016 . . . . . . A 34 GLU CB . 34527 1 340 . 1 . 1 34 34 GLU CG C 13 37.536 0.034 . . . . . . A 34 GLU CG . 34527 1 341 . 1 . 1 34 34 GLU N N 15 118.892 0.003 . . . . . . A 34 GLU N . 34527 1 342 . 1 . 1 35 35 THR H H 1 9.129 0.001 . . . . . . A 35 THR H . 34527 1 343 . 1 . 1 35 35 THR HA H 1 3.823 0.000 . . . . . . A 35 THR HA . 34527 1 344 . 1 . 1 35 35 THR HB H 1 3.822 0.001 . . . . . . A 35 THR HB . 34527 1 345 . 1 . 1 35 35 THR HG21 H 1 0.660 0.000 . . . . . . A 35 THR HG21 . 34527 1 346 . 1 . 1 35 35 THR HG22 H 1 0.660 0.000 . . . . . . A 35 THR HG22 . 34527 1 347 . 1 . 1 35 35 THR HG23 H 1 0.660 0.000 . . . . . . A 35 THR HG23 . 34527 1 348 . 1 . 1 35 35 THR C C 13 170.279 0.015 . . . . . . A 35 THR C . 34527 1 349 . 1 . 1 35 35 THR CA C 13 58.561 0.024 . . . . . . A 35 THR CA . 34527 1 350 . 1 . 1 35 35 THR CB C 13 70.171 0.014 . . . . . . A 35 THR CB . 34527 1 351 . 1 . 1 35 35 THR CG2 C 13 19.057 0.061 . . . . . . A 35 THR CG2 . 34527 1 352 . 1 . 1 35 35 THR N N 15 117.543 0.012 . . . . . . A 35 THR N . 34527 1 353 . 1 . 1 36 36 LYS H H 1 8.712 0.003 . . . . . . A 36 LYS H . 34527 1 354 . 1 . 1 36 36 LYS HA H 1 4.847 0.001 . . . . . . A 36 LYS HA . 34527 1 355 . 1 . 1 36 36 LYS HB2 H 1 1.312 0.001 . . . . . . A 36 LYS HB2 . 34527 1 356 . 1 . 1 36 36 LYS HB3 H 1 2.012 0.001 . . . . . . A 36 LYS HB3 . 34527 1 357 . 1 . 1 36 36 LYS HG2 H 1 0.930 0.001 . . . . . . A 36 LYS HG2 . 34527 1 358 . 1 . 1 36 36 LYS HG3 H 1 1.218 0.002 . . . . . . A 36 LYS HG3 . 34527 1 359 . 1 . 1 36 36 LYS HD2 H 1 1.442 0.001 . . . . . . A 36 LYS HD2 . 34527 1 360 . 1 . 1 36 36 LYS HD3 H 1 1.442 0.001 . . . . . . A 36 LYS HD3 . 34527 1 361 . 1 . 1 36 36 LYS HE2 H 1 2.676 0.000 . . . . . . A 36 LYS HE2 . 34527 1 362 . 1 . 1 36 36 LYS HE3 H 1 2.676 0.000 . . . . . . A 36 LYS HE3 . 34527 1 363 . 1 . 1 36 36 LYS C C 13 177.905 0.009 . . . . . . A 36 LYS C . 34527 1 364 . 1 . 1 36 36 LYS CA C 13 55.849 0.009 . . . . . . A 36 LYS CA . 34527 1 365 . 1 . 1 36 36 LYS CB C 13 33.957 0.092 . . . . . . A 36 LYS CB . 34527 1 366 . 1 . 1 36 36 LYS CG C 13 25.941 0.049 . . . . . . A 36 LYS CG . 34527 1 367 . 1 . 1 36 36 LYS CD C 13 29.429 0.039 . . . . . . A 36 LYS CD . 34527 1 368 . 1 . 1 36 36 LYS CE C 13 42.300 0.020 . . . . . . A 36 LYS CE . 34527 1 369 . 1 . 1 36 36 LYS N N 15 121.910 0.014 . . . . . . A 36 LYS N . 34527 1 370 . 1 . 1 37 37 VAL H H 1 8.474 0.001 . . . . . . A 37 VAL H . 34527 1 371 . 1 . 1 37 37 VAL HA H 1 4.790 0.000 . . . . . . A 37 VAL HA . 34527 1 372 . 1 . 1 37 37 VAL HB H 1 2.223 0.002 . . . . . . A 37 VAL HB . 34527 1 373 . 1 . 1 37 37 VAL HG11 H 1 0.760 0.001 . . . . . . A 37 VAL HG11 . 34527 1 374 . 1 . 1 37 37 VAL HG12 H 1 0.760 0.001 . . . . . . A 37 VAL HG12 . 34527 1 375 . 1 . 1 37 37 VAL HG13 H 1 0.760 0.001 . . . . . . A 37 VAL HG13 . 34527 1 376 . 1 . 1 37 37 VAL HG21 H 1 0.404 0.001 . . . . . . A 37 VAL HG21 . 34527 1 377 . 1 . 1 37 37 VAL HG22 H 1 0.404 0.001 . . . . . . A 37 VAL HG22 . 34527 1 378 . 1 . 1 37 37 VAL HG23 H 1 0.404 0.001 . . . . . . A 37 VAL HG23 . 34527 1 379 . 1 . 1 37 37 VAL C C 13 173.959 0.012 . . . . . . A 37 VAL C . 34527 1 380 . 1 . 1 37 37 VAL CA C 13 61.587 0.003 . . . . . . A 37 VAL CA . 34527 1 381 . 1 . 1 37 37 VAL CB C 13 31.457 0.017 . . . . . . A 37 VAL CB . 34527 1 382 . 1 . 1 37 37 VAL CG1 C 13 24.068 0.023 . . . . . . A 37 VAL CG1 . 34527 1 383 . 1 . 1 37 37 VAL CG2 C 13 22.325 0.037 . . . . . . A 37 VAL CG2 . 34527 1 384 . 1 . 1 37 37 VAL N N 15 126.674 0.006 . . . . . . A 37 VAL N . 34527 1 385 . 1 . 1 38 38 PHE H H 1 8.672 0.002 . . . . . . A 38 PHE H . 34527 1 386 . 1 . 1 38 38 PHE HA H 1 5.313 0.004 . . . . . . A 38 PHE HA . 34527 1 387 . 1 . 1 38 38 PHE HB2 H 1 2.524 0.008 . . . . . . A 38 PHE HB2 . 34527 1 388 . 1 . 1 38 38 PHE HB3 H 1 2.384 0.008 . . . . . . A 38 PHE HB3 . 34527 1 389 . 1 . 1 38 38 PHE HD1 H 1 6.846 0.005 . . . . . . A 38 PHE HD1 . 34527 1 390 . 1 . 1 38 38 PHE HD2 H 1 6.846 0.005 . . . . . . A 38 PHE HD2 . 34527 1 391 . 1 . 1 38 38 PHE HE1 H 1 6.973 0.003 . . . . . . A 38 PHE HE1 . 34527 1 392 . 1 . 1 38 38 PHE HE2 H 1 6.973 0.003 . . . . . . A 38 PHE HE2 . 34527 1 393 . 1 . 1 38 38 PHE HZ H 1 7.098 0.000 . . . . . . A 38 PHE HZ . 34527 1 394 . 1 . 1 38 38 PHE C C 13 172.957 0.007 . . . . . . A 38 PHE C . 34527 1 395 . 1 . 1 38 38 PHE CA C 13 54.717 0.008 . . . . . . A 38 PHE CA . 34527 1 396 . 1 . 1 38 38 PHE CB C 13 43.033 0.019 . . . . . . A 38 PHE CB . 34527 1 397 . 1 . 1 38 38 PHE CD2 C 13 132.683 0.000 . . . . . . A 38 PHE CD2 . 34527 1 398 . 1 . 1 38 38 PHE N N 15 119.697 0.065 . . . . . . A 38 PHE N . 34527 1 399 . 1 . 1 39 39 CYS H H 1 8.196 0.002 . . . . . . A 39 CYS H . 34527 1 400 . 1 . 1 39 39 CYS HA H 1 4.544 0.008 . . . . . . A 39 CYS HA . 34527 1 401 . 1 . 1 39 39 CYS HB2 H 1 2.686 0.007 . . . . . . A 39 CYS HB2 . 34527 1 402 . 1 . 1 39 39 CYS HB3 H 1 2.422 0.006 . . . . . . A 39 CYS HB3 . 34527 1 403 . 1 . 1 39 39 CYS C C 13 177.619 0.048 . . . . . . A 39 CYS C . 34527 1 404 . 1 . 1 39 39 CYS CA C 13 58.164 0.011 . . . . . . A 39 CYS CA . 34527 1 405 . 1 . 1 39 39 CYS CB C 13 29.878 0.020 . . . . . . A 39 CYS CB . 34527 1 406 . 1 . 1 39 39 CYS N N 15 118.247 0.030 . . . . . . A 39 CYS N . 34527 1 407 . 1 . 1 40 40 GLN H H 1 9.372 0.001 . . . . . . A 40 GLN H . 34527 1 408 . 1 . 1 40 40 GLN HA H 1 3.988 0.001 . . . . . . A 40 GLN HA . 34527 1 409 . 1 . 1 40 40 GLN HB2 H 1 1.843 0.001 . . . . . . A 40 GLN HB2 . 34527 1 410 . 1 . 1 40 40 GLN HB3 H 1 1.972 0.001 . . . . . . A 40 GLN HB3 . 34527 1 411 . 1 . 1 40 40 GLN HG2 H 1 2.082 0.001 . . . . . . A 40 GLN HG2 . 34527 1 412 . 1 . 1 40 40 GLN HG3 H 1 2.107 0.001 . . . . . . A 40 GLN HG3 . 34527 1 413 . 1 . 1 40 40 GLN CA C 13 60.409 0.016 . . . . . . A 40 GLN CA . 34527 1 414 . 1 . 1 40 40 GLN CB C 13 29.650 0.011 . . . . . . A 40 GLN CB . 34527 1 415 . 1 . 1 40 40 GLN CG C 13 34.058 0.017 . . . . . . A 40 GLN CG . 34527 1 416 . 1 . 1 41 41 GLU H H 1 11.005 0.002 . . . . . . A 41 GLU H . 34527 1 417 . 1 . 1 41 41 GLU HA H 1 3.678 0.000 . . . . . . A 41 GLU HA . 34527 1 418 . 1 . 1 41 41 GLU HB2 H 1 1.554 0.000 . . . . . . A 41 GLU HB2 . 34527 1 419 . 1 . 1 41 41 GLU HG2 H 1 1.932 0.000 . . . . . . A 41 GLU HG2 . 34527 1 420 . 1 . 1 41 41 GLU HG3 H 1 2.223 0.000 . . . . . . A 41 GLU HG3 . 34527 1 421 . 1 . 1 41 41 GLU C C 13 181.372 0.004 . . . . . . A 41 GLU C . 34527 1 422 . 1 . 1 41 41 GLU CA C 13 62.318 0.005 . . . . . . A 41 GLU CA . 34527 1 423 . 1 . 1 41 41 GLU CB C 13 29.106 0.016 . . . . . . A 41 GLU CB . 34527 1 424 . 1 . 1 41 41 GLU CG C 13 37.352 0.036 . . . . . . A 41 GLU CG . 34527 1 425 . 1 . 1 41 41 GLU N N 15 122.832 0.003 . . . . . . A 41 GLU N . 34527 1 426 . 1 . 1 42 42 CYS H H 1 9.341 0.002 . . . . . . A 42 CYS H . 34527 1 427 . 1 . 1 42 42 CYS HA H 1 3.985 0.001 . . . . . . A 42 CYS HA . 34527 1 428 . 1 . 1 42 42 CYS HB2 H 1 3.121 0.003 . . . . . . A 42 CYS HB2 . 34527 1 429 . 1 . 1 42 42 CYS HB3 H 1 2.786 0.006 . . . . . . A 42 CYS HB3 . 34527 1 430 . 1 . 1 42 42 CYS C C 13 176.909 0.002 . . . . . . A 42 CYS C . 34527 1 431 . 1 . 1 42 42 CYS CA C 13 65.560 0.005 . . . . . . A 42 CYS CA . 34527 1 432 . 1 . 1 42 42 CYS CB C 13 28.238 0.008 . . . . . . A 42 CYS CB . 34527 1 433 . 1 . 1 42 42 CYS N N 15 120.829 0.013 . . . . . . A 42 CYS N . 34527 1 434 . 1 . 1 43 43 THR H H 1 7.696 0.002 . . . . . . A 43 THR H . 34527 1 435 . 1 . 1 43 43 THR HA H 1 4.715 0.003 . . . . . . A 43 THR HA . 34527 1 436 . 1 . 1 43 43 THR HB H 1 4.466 0.003 . . . . . . A 43 THR HB . 34527 1 437 . 1 . 1 43 43 THR HG21 H 1 0.814 0.001 . . . . . . A 43 THR HG21 . 34527 1 438 . 1 . 1 43 43 THR HG22 H 1 0.814 0.001 . . . . . . A 43 THR HG22 . 34527 1 439 . 1 . 1 43 43 THR HG23 H 1 0.814 0.001 . . . . . . A 43 THR HG23 . 34527 1 440 . 1 . 1 43 43 THR C C 13 177.455 0.003 . . . . . . A 43 THR C . 34527 1 441 . 1 . 1 43 43 THR CA C 13 65.941 0.004 . . . . . . A 43 THR CA . 34527 1 442 . 1 . 1 43 43 THR CB C 13 69.412 0.014 . . . . . . A 43 THR CB . 34527 1 443 . 1 . 1 43 43 THR CG2 C 13 20.673 0.011 . . . . . . A 43 THR CG2 . 34527 1 444 . 1 . 1 43 43 THR N N 15 117.382 0.014 . . . . . . A 43 THR N . 34527 1 445 . 1 . 1 44 44 ILE H H 1 7.510 0.001 . . . . . . A 44 ILE H . 34527 1 446 . 1 . 1 44 44 ILE HA H 1 3.506 0.001 . . . . . . A 44 ILE HA . 34527 1 447 . 1 . 1 44 44 ILE HB H 1 1.728 0.003 . . . . . . A 44 ILE HB . 34527 1 448 . 1 . 1 44 44 ILE HG12 H 1 1.024 0.000 . . . . . . A 44 ILE HG12 . 34527 1 449 . 1 . 1 44 44 ILE HG13 H 1 1.527 0.000 . . . . . . A 44 ILE HG13 . 34527 1 450 . 1 . 1 44 44 ILE HG21 H 1 0.694 0.001 . . . . . . A 44 ILE HG21 . 34527 1 451 . 1 . 1 44 44 ILE HG22 H 1 0.694 0.001 . . . . . . A 44 ILE HG22 . 34527 1 452 . 1 . 1 44 44 ILE HG23 H 1 0.694 0.001 . . . . . . A 44 ILE HG23 . 34527 1 453 . 1 . 1 44 44 ILE HD11 H 1 0.658 0.000 . . . . . . A 44 ILE HD11 . 34527 1 454 . 1 . 1 44 44 ILE HD12 H 1 0.658 0.000 . . . . . . A 44 ILE HD12 . 34527 1 455 . 1 . 1 44 44 ILE HD13 H 1 0.658 0.000 . . . . . . A 44 ILE HD13 . 34527 1 456 . 1 . 1 44 44 ILE C C 13 178.931 0.006 . . . . . . A 44 ILE C . 34527 1 457 . 1 . 1 44 44 ILE CA C 13 64.472 0.015 . . . . . . A 44 ILE CA . 34527 1 458 . 1 . 1 44 44 ILE CB C 13 37.937 0.019 . . . . . . A 44 ILE CB . 34527 1 459 . 1 . 1 44 44 ILE CG1 C 13 28.913 0.011 . . . . . . A 44 ILE CG1 . 34527 1 460 . 1 . 1 44 44 ILE CG2 C 13 16.949 0.017 . . . . . . A 44 ILE CG2 . 34527 1 461 . 1 . 1 44 44 ILE CD1 C 13 12.723 0.019 . . . . . . A 44 ILE CD1 . 34527 1 462 . 1 . 1 44 44 ILE N N 15 120.972 0.019 . . . . . . A 44 ILE N . 34527 1 463 . 1 . 1 45 45 LEU H H 1 7.680 0.007 . . . . . . A 45 LEU H . 34527 1 464 . 1 . 1 45 45 LEU HA H 1 3.860 0.001 . . . . . . A 45 LEU HA . 34527 1 465 . 1 . 1 45 45 LEU HB2 H 1 1.527 0.001 . . . . . . A 45 LEU HB2 . 34527 1 466 . 1 . 1 45 45 LEU HB3 H 1 1.607 0.001 . . . . . . A 45 LEU HB3 . 34527 1 467 . 1 . 1 45 45 LEU HG H 1 1.456 0.001 . . . . . . A 45 LEU HG . 34527 1 468 . 1 . 1 45 45 LEU HD11 H 1 0.712 0.001 . . . . . . A 45 LEU HD11 . 34527 1 469 . 1 . 1 45 45 LEU HD12 H 1 0.712 0.001 . . . . . . A 45 LEU HD12 . 34527 1 470 . 1 . 1 45 45 LEU HD13 H 1 0.712 0.001 . . . . . . A 45 LEU HD13 . 34527 1 471 . 1 . 1 45 45 LEU HD21 H 1 0.712 0.001 . . . . . . A 45 LEU HD21 . 34527 1 472 . 1 . 1 45 45 LEU HD22 H 1 0.712 0.001 . . . . . . A 45 LEU HD22 . 34527 1 473 . 1 . 1 45 45 LEU HD23 H 1 0.712 0.001 . . . . . . A 45 LEU HD23 . 34527 1 474 . 1 . 1 45 45 LEU C C 13 178.985 0.000 . . . . . . A 45 LEU C . 34527 1 475 . 1 . 1 45 45 LEU CA C 13 58.050 0.005 . . . . . . A 45 LEU CA . 34527 1 476 . 1 . 1 45 45 LEU CB C 13 42.792 0.019 . . . . . . A 45 LEU CB . 34527 1 477 . 1 . 1 45 45 LEU CG C 13 26.997 0.019 . . . . . . A 45 LEU CG . 34527 1 478 . 1 . 1 45 45 LEU CD2 C 13 24.240 0.023 . . . . . . A 45 LEU CD2 . 34527 1 479 . 1 . 1 45 45 LEU N N 15 119.313 0.008 . . . . . . A 45 LEU N . 34527 1 480 . 1 . 1 46 46 LYS H H 1 8.318 0.002 . . . . . . A 46 LYS H . 34527 1 481 . 1 . 1 46 46 LYS HA H 1 3.959 0.002 . . . . . . A 46 LYS HA . 34527 1 482 . 1 . 1 46 46 LYS HB2 H 1 1.754 0.000 . . . . . . A 46 LYS HB2 . 34527 1 483 . 1 . 1 46 46 LYS HG2 H 1 1.327 0.000 . . . . . . A 46 LYS HG2 . 34527 1 484 . 1 . 1 46 46 LYS HG3 H 1 1.442 0.001 . . . . . . A 46 LYS HG3 . 34527 1 485 . 1 . 1 46 46 LYS HD2 H 1 1.448 0.001 . . . . . . A 46 LYS HD2 . 34527 1 486 . 1 . 1 46 46 LYS HE2 H 1 2.792 0.001 . . . . . . A 46 LYS HE2 . 34527 1 487 . 1 . 1 46 46 LYS C C 13 176.038 0.001 . . . . . . A 46 LYS C . 34527 1 488 . 1 . 1 46 46 LYS CA C 13 56.715 0.006 . . . . . . A 46 LYS CA . 34527 1 489 . 1 . 1 46 46 LYS CB C 13 32.559 0.012 . . . . . . A 46 LYS CB . 34527 1 490 . 1 . 1 46 46 LYS CG C 13 25.899 0.031 . . . . . . A 46 LYS CG . 34527 1 491 . 1 . 1 46 46 LYS CD C 13 29.188 0.047 . . . . . . A 46 LYS CD . 34527 1 492 . 1 . 1 46 46 LYS CE C 13 42.034 0.016 . . . . . . A 46 LYS CE . 34527 1 493 . 1 . 1 46 46 LYS N N 15 114.494 0.005 . . . . . . A 46 LYS N . 34527 1 494 . 1 . 1 47 47 ALA H H 1 7.685 0.001 . . . . . . A 47 ALA H . 34527 1 495 . 1 . 1 47 47 ALA HA H 1 3.791 0.000 . . . . . . A 47 ALA HA . 34527 1 496 . 1 . 1 47 47 ALA HB1 H 1 1.263 0.000 . . . . . . A 47 ALA HB1 . 34527 1 497 . 1 . 1 47 47 ALA HB2 H 1 1.263 0.000 . . . . . . A 47 ALA HB2 . 34527 1 498 . 1 . 1 47 47 ALA HB3 H 1 1.263 0.000 . . . . . . A 47 ALA HB3 . 34527 1 499 . 1 . 1 47 47 ALA C C 13 175.371 0.000 . . . . . . A 47 ALA C . 34527 1 500 . 1 . 1 47 47 ALA CA C 13 53.056 0.009 . . . . . . A 47 ALA CA . 34527 1 501 . 1 . 1 47 47 ALA CB C 13 16.424 0.045 . . . . . . A 47 ALA CB . 34527 1 502 . 1 . 1 47 47 ALA N N 15 118.431 0.005 . . . . . . A 47 ALA N . 34527 1 503 . 1 . 1 48 48 GLU H H 1 7.556 0.001 . . . . . . A 48 GLU H . 34527 1 504 . 1 . 1 48 48 GLU HA H 1 4.191 0.000 . . . . . . A 48 GLU HA . 34527 1 505 . 1 . 1 48 48 GLU HB2 H 1 1.666 0.000 . . . . . . A 48 GLU HB2 . 34527 1 506 . 1 . 1 48 48 GLU HB3 H 1 1.723 0.000 . . . . . . A 48 GLU HB3 . 34527 1 507 . 1 . 1 48 48 GLU HG2 H 1 1.787 0.001 . . . . . . A 48 GLU HG2 . 34527 1 508 . 1 . 1 48 48 GLU HG3 H 1 1.898 0.001 . . . . . . A 48 GLU HG3 . 34527 1 509 . 1 . 1 48 48 GLU C C 13 173.136 0.002 . . . . . . A 48 GLU C . 34527 1 510 . 1 . 1 48 48 GLU CA C 13 54.601 0.007 . . . . . . A 48 GLU CA . 34527 1 511 . 1 . 1 48 48 GLU CB C 13 32.517 0.006 . . . . . . A 48 GLU CB . 34527 1 512 . 1 . 1 48 48 GLU CG C 13 35.538 0.014 . . . . . . A 48 GLU CG . 34527 1 513 . 1 . 1 48 48 GLU N N 15 114.360 0.004 . . . . . . A 48 GLU N . 34527 1 514 . 1 . 1 49 49 VAL H H 1 8.056 0.002 . . . . . . A 49 VAL H . 34527 1 515 . 1 . 1 49 49 VAL HA H 1 3.474 0.001 . . . . . . A 49 VAL HA . 34527 1 516 . 1 . 1 49 49 VAL HB H 1 1.611 0.000 . . . . . . A 49 VAL HB . 34527 1 517 . 1 . 1 49 49 VAL HG11 H 1 0.419 0.000 . . . . . . A 49 VAL HG11 . 34527 1 518 . 1 . 1 49 49 VAL HG12 H 1 0.419 0.000 . . . . . . A 49 VAL HG12 . 34527 1 519 . 1 . 1 49 49 VAL HG13 H 1 0.419 0.000 . . . . . . A 49 VAL HG13 . 34527 1 520 . 1 . 1 49 49 VAL HG21 H 1 0.498 0.001 . . . . . . A 49 VAL HG21 . 34527 1 521 . 1 . 1 49 49 VAL HG22 H 1 0.498 0.001 . . . . . . A 49 VAL HG22 . 34527 1 522 . 1 . 1 49 49 VAL HG23 H 1 0.498 0.001 . . . . . . A 49 VAL HG23 . 34527 1 523 . 1 . 1 49 49 VAL C C 13 176.595 0.014 . . . . . . A 49 VAL C . 34527 1 524 . 1 . 1 49 49 VAL CA C 13 64.178 0.011 . . . . . . A 49 VAL CA . 34527 1 525 . 1 . 1 49 49 VAL CB C 13 31.160 0.030 . . . . . . A 49 VAL CB . 34527 1 526 . 1 . 1 49 49 VAL CG2 C 13 21.844 0.016 . . . . . . A 49 VAL CG2 . 34527 1 527 . 1 . 1 49 49 VAL N N 15 118.504 0.030 . . . . . . A 49 VAL N . 34527 1 528 . 1 . 1 50 50 VAL H H 1 8.254 0.001 . . . . . . A 50 VAL H . 34527 1 529 . 1 . 1 50 50 VAL HA H 1 3.909 0.001 . . . . . . A 50 VAL HA . 34527 1 530 . 1 . 1 50 50 VAL HB H 1 1.860 0.000 . . . . . . A 50 VAL HB . 34527 1 531 . 1 . 1 50 50 VAL HG11 H 1 0.806 0.000 . . . . . . A 50 VAL HG11 . 34527 1 532 . 1 . 1 50 50 VAL HG12 H 1 0.806 0.000 . . . . . . A 50 VAL HG12 . 34527 1 533 . 1 . 1 50 50 VAL HG13 H 1 0.806 0.000 . . . . . . A 50 VAL HG13 . 34527 1 534 . 1 . 1 50 50 VAL HG21 H 1 0.841 0.001 . . . . . . A 50 VAL HG21 . 34527 1 535 . 1 . 1 50 50 VAL HG22 H 1 0.841 0.001 . . . . . . A 50 VAL HG22 . 34527 1 536 . 1 . 1 50 50 VAL HG23 H 1 0.841 0.001 . . . . . . A 50 VAL HG23 . 34527 1 537 . 1 . 1 50 50 VAL C C 13 174.436 0.009 . . . . . . A 50 VAL C . 34527 1 538 . 1 . 1 50 50 VAL CA C 13 61.530 0.010 . . . . . . A 50 VAL CA . 34527 1 539 . 1 . 1 50 50 VAL CB C 13 31.361 0.023 . . . . . . A 50 VAL CB . 34527 1 540 . 1 . 1 50 50 VAL CG1 C 13 21.126 0.015 . . . . . . A 50 VAL CG1 . 34527 1 541 . 1 . 1 50 50 VAL CG2 C 13 21.317 0.020 . . . . . . A 50 VAL CG2 . 34527 1 542 . 1 . 1 50 50 VAL N N 15 130.966 0.022 . . . . . . A 50 VAL N . 34527 1 543 . 1 . 1 51 51 GLY H H 1 8.940 0.000 . . . . . . A 51 GLY H . 34527 1 544 . 1 . 1 51 51 GLY HA2 H 1 3.077 0.000 . . . . . . A 51 GLY HA2 . 34527 1 545 . 1 . 1 51 51 GLY C C 13 175.170 0.003 . . . . . . A 51 GLY C . 34527 1 546 . 1 . 1 51 51 GLY CA C 13 44.919 0.002 . . . . . . A 51 GLY CA . 34527 1 547 . 1 . 1 51 51 GLY N N 15 112.241 0.031 . . . . . . A 51 GLY N . 34527 1 548 . 1 . 1 52 52 LEU H H 1 8.799 0.001 . . . . . . A 52 LEU H . 34527 1 549 . 1 . 1 52 52 LEU HA H 1 5.625 0.001 . . . . . . A 52 LEU HA . 34527 1 550 . 1 . 1 52 52 LEU HB2 H 1 0.919 0.001 . . . . . . A 52 LEU HB2 . 34527 1 551 . 1 . 1 52 52 LEU HB3 H 1 1.033 0.001 . . . . . . A 52 LEU HB3 . 34527 1 552 . 1 . 1 52 52 LEU HG H 1 1.183 0.004 . . . . . . A 52 LEU HG . 34527 1 553 . 1 . 1 52 52 LEU HD11 H 1 0.535 0.001 . . . . . . A 52 LEU HD11 . 34527 1 554 . 1 . 1 52 52 LEU HD12 H 1 0.535 0.001 . . . . . . A 52 LEU HD12 . 34527 1 555 . 1 . 1 52 52 LEU HD13 H 1 0.535 0.001 . . . . . . A 52 LEU HD13 . 34527 1 556 . 1 . 1 52 52 LEU HD21 H 1 0.275 0.006 . . . . . . A 52 LEU HD21 . 34527 1 557 . 1 . 1 52 52 LEU HD22 H 1 0.275 0.006 . . . . . . A 52 LEU HD22 . 34527 1 558 . 1 . 1 52 52 LEU HD23 H 1 0.275 0.006 . . . . . . A 52 LEU HD23 . 34527 1 559 . 1 . 1 52 52 LEU C C 13 177.478 0.002 . . . . . . A 52 LEU C . 34527 1 560 . 1 . 1 52 52 LEU CA C 13 52.598 0.042 . . . . . . A 52 LEU CA . 34527 1 561 . 1 . 1 52 52 LEU CB C 13 47.031 0.028 . . . . . . A 52 LEU CB . 34527 1 562 . 1 . 1 52 52 LEU CG C 13 28.163 0.029 . . . . . . A 52 LEU CG . 34527 1 563 . 1 . 1 52 52 LEU CD2 C 13 23.558 0.044 . . . . . . A 52 LEU CD2 . 34527 1 564 . 1 . 1 52 52 LEU N N 15 127.597 0.003 . . . . . . A 52 LEU N . 34527 1 565 . 1 . 1 53 53 CYS H H 1 7.972 0.002 . . . . . . A 53 CYS H . 34527 1 566 . 1 . 1 53 53 CYS HA H 1 3.783 0.001 . . . . . . A 53 CYS HA . 34527 1 567 . 1 . 1 53 53 CYS HB2 H 1 2.575 0.001 . . . . . . A 53 CYS HB2 . 34527 1 568 . 1 . 1 53 53 CYS HB3 H 1 2.721 0.001 . . . . . . A 53 CYS HB3 . 34527 1 569 . 1 . 1 53 53 CYS C C 13 175.072 0.016 . . . . . . A 53 CYS C . 34527 1 570 . 1 . 1 53 53 CYS CA C 13 64.951 0.014 . . . . . . A 53 CYS CA . 34527 1 571 . 1 . 1 53 53 CYS CB C 13 30.740 0.018 . . . . . . A 53 CYS CB . 34527 1 572 . 1 . 1 53 53 CYS N N 15 120.758 0.066 . . . . . . A 53 CYS N . 34527 1 573 . 1 . 1 54 54 HIS H H 1 9.376 0.001 . . . . . . A 54 HIS H . 34527 1 574 . 1 . 1 54 54 HIS HA H 1 3.500 0.005 . . . . . . A 54 HIS HA . 34527 1 575 . 1 . 1 54 54 HIS HB2 H 1 2.880 0.017 . . . . . . A 54 HIS HB2 . 34527 1 576 . 1 . 1 54 54 HIS HB3 H 1 2.920 0.000 . . . . . . A 54 HIS HB3 . 34527 1 577 . 1 . 1 54 54 HIS HD2 H 1 6.686 0.000 . . . . . . A 54 HIS HD2 . 34527 1 578 . 1 . 1 54 54 HIS HE1 H 1 7.553 0.002 . . . . . . A 54 HIS HE1 . 34527 1 579 . 1 . 1 54 54 HIS CA C 13 58.010 0.023 . . . . . . A 54 HIS CA . 34527 1 580 . 1 . 1 54 54 HIS CB C 13 31.693 0.034 . . . . . . A 54 HIS CB . 34527 1 581 . 1 . 1 54 54 HIS CD2 C 13 118.412 0.000 . . . . . . A 54 HIS CD2 . 34527 1 582 . 1 . 1 54 54 HIS CE1 C 13 137.926 0.000 . . . . . . A 54 HIS CE1 . 34527 1 583 . 1 . 1 54 54 HIS N N 15 124.628 0.006 . . . . . . A 54 HIS N . 34527 1 584 . 1 . 1 55 55 GLU H H 1 8.134 0.002 . . . . . . A 55 GLU H . 34527 1 585 . 1 . 1 55 55 GLU C C 13 176.890 0.000 . . . . . . A 55 GLU C . 34527 1 586 . 1 . 1 55 55 GLU CA C 13 58.314 0.002 . . . . . . A 55 GLU CA . 34527 1 587 . 1 . 1 55 55 GLU CB C 13 28.854 0.000 . . . . . . A 55 GLU CB . 34527 1 588 . 1 . 1 55 55 GLU N N 15 127.494 0.002 . . . . . . A 55 GLU N . 34527 1 589 . 1 . 1 56 56 LYS HA H 1 3.900 0.005 . . . . . . A 56 LYS HA . 34527 1 590 . 1 . 1 56 56 LYS HB2 H 1 1.483 0.000 . . . . . . A 56 LYS HB2 . 34527 1 591 . 1 . 1 56 56 LYS HB3 H 1 1.617 0.000 . . . . . . A 56 LYS HB3 . 34527 1 592 . 1 . 1 56 56 LYS HG2 H 1 0.982 0.022 . . . . . . A 56 LYS HG2 . 34527 1 593 . 1 . 1 56 56 LYS HG3 H 1 1.048 0.008 . . . . . . A 56 LYS HG3 . 34527 1 594 . 1 . 1 56 56 LYS HD2 H 1 1.197 0.004 . . . . . . A 56 LYS HD2 . 34527 1 595 . 1 . 1 56 56 LYS HD3 H 1 0.922 0.002 . . . . . . A 56 LYS HD3 . 34527 1 596 . 1 . 1 56 56 LYS HE2 H 1 2.427 0.000 . . . . . . A 56 LYS HE2 . 34527 1 597 . 1 . 1 56 56 LYS HE3 H 1 2.518 0.000 . . . . . . A 56 LYS HE3 . 34527 1 598 . 1 . 1 56 56 LYS C C 13 177.295 0.000 . . . . . . A 56 LYS C . 34527 1 599 . 1 . 1 56 56 LYS CA C 13 58.039 0.024 . . . . . . A 56 LYS CA . 34527 1 600 . 1 . 1 56 56 LYS CB C 13 31.249 0.013 . . . . . . A 56 LYS CB . 34527 1 601 . 1 . 1 56 56 LYS CG C 13 24.791 0.021 . . . . . . A 56 LYS CG . 34527 1 602 . 1 . 1 56 56 LYS CD C 13 28.905 0.017 . . . . . . A 56 LYS CD . 34527 1 603 . 1 . 1 56 56 LYS CE C 13 40.873 0.000 . . . . . . A 56 LYS CE . 34527 1 604 . 1 . 1 57 57 ASP H H 1 7.855 0.003 . . . . . . A 57 ASP H . 34527 1 605 . 1 . 1 57 57 ASP HA H 1 4.529 0.000 . . . . . . A 57 ASP HA . 34527 1 606 . 1 . 1 57 57 ASP HB2 H 1 2.597 0.001 . . . . . . A 57 ASP HB2 . 34527 1 607 . 1 . 1 57 57 ASP HB3 H 1 2.651 0.000 . . . . . . A 57 ASP HB3 . 34527 1 608 . 1 . 1 57 57 ASP C C 13 176.131 0.002 . . . . . . A 57 ASP C . 34527 1 609 . 1 . 1 57 57 ASP CA C 13 56.708 0.024 . . . . . . A 57 ASP CA . 34527 1 610 . 1 . 1 57 57 ASP CB C 13 41.612 0.044 . . . . . . A 57 ASP CB . 34527 1 611 . 1 . 1 57 57 ASP N N 15 119.963 0.011 . . . . . . A 57 ASP N . 34527 1 612 . 1 . 1 58 58 THR H H 1 7.647 0.002 . . . . . . A 58 THR H . 34527 1 613 . 1 . 1 58 58 THR HA H 1 4.300 0.001 . . . . . . A 58 THR HA . 34527 1 614 . 1 . 1 58 58 THR HB H 1 4.357 0.000 . . . . . . A 58 THR HB . 34527 1 615 . 1 . 1 58 58 THR HG21 H 1 1.053 0.001 . . . . . . A 58 THR HG21 . 34527 1 616 . 1 . 1 58 58 THR HG22 H 1 1.053 0.001 . . . . . . A 58 THR HG22 . 34527 1 617 . 1 . 1 58 58 THR HG23 H 1 1.053 0.001 . . . . . . A 58 THR HG23 . 34527 1 618 . 1 . 1 58 58 THR C C 13 172.301 0.000 . . . . . . A 58 THR C . 34527 1 619 . 1 . 1 58 58 THR CA C 13 60.510 0.012 . . . . . . A 58 THR CA . 34527 1 620 . 1 . 1 58 58 THR CB C 13 68.417 0.064 . . . . . . A 58 THR CB . 34527 1 621 . 1 . 1 58 58 THR CG2 C 13 21.239 0.023 . . . . . . A 58 THR CG2 . 34527 1 622 . 1 . 1 58 58 THR N N 15 112.686 0.005 . . . . . . A 58 THR N . 34527 1 623 . 1 . 1 59 59 ILE H H 1 8.228 0.005 . . . . . . A 59 ILE H . 34527 1 624 . 1 . 1 59 59 ILE HA H 1 4.087 0.000 . . . . . . A 59 ILE HA . 34527 1 625 . 1 . 1 59 59 ILE HB H 1 1.747 0.000 . . . . . . A 59 ILE HB . 34527 1 626 . 1 . 1 59 59 ILE HG12 H 1 1.100 0.000 . . . . . . A 59 ILE HG12 . 34527 1 627 . 1 . 1 59 59 ILE HG21 H 1 0.713 0.001 . . . . . . A 59 ILE HG21 . 34527 1 628 . 1 . 1 59 59 ILE HG22 H 1 0.713 0.001 . . . . . . A 59 ILE HG22 . 34527 1 629 . 1 . 1 59 59 ILE HG23 H 1 0.713 0.001 . . . . . . A 59 ILE HG23 . 34527 1 630 . 1 . 1 59 59 ILE HD11 H 1 0.628 0.001 . . . . . . A 59 ILE HD11 . 34527 1 631 . 1 . 1 59 59 ILE HD12 H 1 0.628 0.001 . . . . . . A 59 ILE HD12 . 34527 1 632 . 1 . 1 59 59 ILE HD13 H 1 0.628 0.001 . . . . . . A 59 ILE HD13 . 34527 1 633 . 1 . 1 59 59 ILE C C 13 176.389 0.001 . . . . . . A 59 ILE C . 34527 1 634 . 1 . 1 59 59 ILE CA C 13 60.799 0.108 . . . . . . A 59 ILE CA . 34527 1 635 . 1 . 1 59 59 ILE CB C 13 39.364 0.011 . . . . . . A 59 ILE CB . 34527 1 636 . 1 . 1 59 59 ILE CG1 C 13 27.598 0.014 . . . . . . A 59 ILE CG1 . 34527 1 637 . 1 . 1 59 59 ILE CG2 C 13 18.177 0.016 . . . . . . A 59 ILE CG2 . 34527 1 638 . 1 . 1 59 59 ILE CD1 C 13 14.187 0.023 . . . . . . A 59 ILE CD1 . 34527 1 639 . 1 . 1 59 59 ILE N N 15 121.936 0.010 . . . . . . A 59 ILE N . 34527 1 640 . 1 . 1 60 60 LYS H H 1 8.066 0.004 . . . . . . A 60 LYS H . 34527 1 641 . 1 . 1 60 60 LYS HA H 1 3.409 0.001 . . . . . . A 60 LYS HA . 34527 1 642 . 1 . 1 60 60 LYS HB2 H 1 1.408 0.000 . . . . . . A 60 LYS HB2 . 34527 1 643 . 1 . 1 60 60 LYS HB3 H 1 1.490 0.001 . . . . . . A 60 LYS HB3 . 34527 1 644 . 1 . 1 60 60 LYS HG2 H 1 1.012 0.001 . . . . . . A 60 LYS HG2 . 34527 1 645 . 1 . 1 60 60 LYS HG3 H 1 1.140 0.001 . . . . . . A 60 LYS HG3 . 34527 1 646 . 1 . 1 60 60 LYS HD2 H 1 1.393 0.001 . . . . . . A 60 LYS HD2 . 34527 1 647 . 1 . 1 60 60 LYS HD3 H 1 1.393 0.001 . . . . . . A 60 LYS HD3 . 34527 1 648 . 1 . 1 60 60 LYS HE2 H 1 2.651 0.000 . . . . . . A 60 LYS HE2 . 34527 1 649 . 1 . 1 60 60 LYS C C 13 177.262 0.006 . . . . . . A 60 LYS C . 34527 1 650 . 1 . 1 60 60 LYS CA C 13 59.963 0.021 . . . . . . A 60 LYS CA . 34527 1 651 . 1 . 1 60 60 LYS CB C 13 32.643 0.017 . . . . . . A 60 LYS CB . 34527 1 652 . 1 . 1 60 60 LYS CG C 13 25.064 0.063 . . . . . . A 60 LYS CG . 34527 1 653 . 1 . 1 60 60 LYS CD C 13 29.324 0.078 . . . . . . A 60 LYS CD . 34527 1 654 . 1 . 1 60 60 LYS CE C 13 42.050 0.031 . . . . . . A 60 LYS CE . 34527 1 655 . 1 . 1 60 60 LYS N N 15 120.041 0.031 . . . . . . A 60 LYS N . 34527 1 656 . 1 . 1 61 61 CYS H H 1 6.704 0.003 . . . . . . A 61 CYS H . 34527 1 657 . 1 . 1 61 61 CYS HA H 1 3.586 0.002 . . . . . . A 61 CYS HA . 34527 1 658 . 1 . 1 61 61 CYS HB2 H 1 2.880 0.002 . . . . . . A 61 CYS HB2 . 34527 1 659 . 1 . 1 61 61 CYS HB3 H 1 2.482 0.005 . . . . . . A 61 CYS HB3 . 34527 1 660 . 1 . 1 61 61 CYS C C 13 177.730 0.003 . . . . . . A 61 CYS C . 34527 1 661 . 1 . 1 61 61 CYS CA C 13 64.352 0.028 . . . . . . A 61 CYS CA . 34527 1 662 . 1 . 1 61 61 CYS CB C 13 29.104 0.056 . . . . . . A 61 CYS CB . 34527 1 663 . 1 . 1 61 61 CYS N N 15 118.040 0.049 . . . . . . A 61 CYS N . 34527 1 664 . 1 . 1 62 62 GLN H H 1 8.471 0.005 . . . . . . A 62 GLN H . 34527 1 665 . 1 . 1 62 62 GLN HA H 1 3.052 0.001 . . . . . . A 62 GLN HA . 34527 1 666 . 1 . 1 62 62 GLN HB2 H 1 1.327 0.000 . . . . . . A 62 GLN HB2 . 34527 1 667 . 1 . 1 62 62 GLN HB3 H 1 1.271 0.000 . . . . . . A 62 GLN HB3 . 34527 1 668 . 1 . 1 62 62 GLN HG2 H 1 1.639 0.002 . . . . . . A 62 GLN HG2 . 34527 1 669 . 1 . 1 62 62 GLN C C 13 178.115 0.000 . . . . . . A 62 GLN C . 34527 1 670 . 1 . 1 62 62 GLN CA C 13 59.663 0.021 . . . . . . A 62 GLN CA . 34527 1 671 . 1 . 1 62 62 GLN CB C 13 28.059 0.063 . . . . . . A 62 GLN CB . 34527 1 672 . 1 . 1 62 62 GLN CG C 13 34.040 0.025 . . . . . . A 62 GLN CG . 34527 1 673 . 1 . 1 62 62 GLN N N 15 117.440 0.018 . . . . . . A 62 GLN N . 34527 1 674 . 1 . 1 63 63 ARG H H 1 7.418 0.001 . . . . . . A 63 ARG H . 34527 1 675 . 1 . 1 63 63 ARG HA H 1 4.013 0.001 . . . . . . A 63 ARG HA . 34527 1 676 . 1 . 1 63 63 ARG HB2 H 1 1.516 0.001 . . . . . . A 63 ARG HB2 . 34527 1 677 . 1 . 1 63 63 ARG HB3 H 1 1.661 0.000 . . . . . . A 63 ARG HB3 . 34527 1 678 . 1 . 1 63 63 ARG HD2 H 1 2.954 0.004 . . . . . . A 63 ARG HD2 . 34527 1 679 . 1 . 1 63 63 ARG HD3 H 1 2.922 0.000 . . . . . . A 63 ARG HD3 . 34527 1 680 . 1 . 1 63 63 ARG C C 13 178.926 0.002 . . . . . . A 63 ARG C . 34527 1 681 . 1 . 1 63 63 ARG CA C 13 58.647 0.049 . . . . . . A 63 ARG CA . 34527 1 682 . 1 . 1 63 63 ARG CB C 13 29.666 0.020 . . . . . . A 63 ARG CB . 34527 1 683 . 1 . 1 63 63 ARG CD C 13 42.916 0.003 . . . . . . A 63 ARG CD . 34527 1 684 . 1 . 1 63 63 ARG N N 15 116.326 0.006 . . . . . . A 63 ARG N . 34527 1 685 . 1 . 1 64 64 PHE H H 1 8.362 0.002 . . . . . . A 64 PHE H . 34527 1 686 . 1 . 1 64 64 PHE HA H 1 4.031 0.005 . . . . . . A 64 PHE HA . 34527 1 687 . 1 . 1 64 64 PHE HB2 H 1 2.881 0.000 . . . . . . A 64 PHE HB2 . 34527 1 688 . 1 . 1 64 64 PHE HB3 H 1 2.856 0.000 . . . . . . A 64 PHE HB3 . 34527 1 689 . 1 . 1 64 64 PHE HD1 H 1 6.984 0.001 . . . . . . A 64 PHE HD1 . 34527 1 690 . 1 . 1 64 64 PHE HD2 H 1 6.984 0.001 . . . . . . A 64 PHE HD2 . 34527 1 691 . 1 . 1 64 64 PHE HE1 H 1 7.073 0.000 . . . . . . A 64 PHE HE1 . 34527 1 692 . 1 . 1 64 64 PHE HE2 H 1 7.073 0.000 . . . . . . A 64 PHE HE2 . 34527 1 693 . 1 . 1 64 64 PHE C C 13 178.442 0.013 . . . . . . A 64 PHE C . 34527 1 694 . 1 . 1 64 64 PHE CA C 13 60.235 0.006 . . . . . . A 64 PHE CA . 34527 1 695 . 1 . 1 64 64 PHE CB C 13 38.384 0.011 . . . . . . A 64 PHE CB . 34527 1 696 . 1 . 1 64 64 PHE N N 15 118.201 0.022 . . . . . . A 64 PHE N . 34527 1 697 . 1 . 1 65 65 HIS H H 1 8.101 0.003 . . . . . . A 65 HIS H . 34527 1 698 . 1 . 1 65 65 HIS HA H 1 3.825 0.003 . . . . . . A 65 HIS HA . 34527 1 699 . 1 . 1 65 65 HIS HB2 H 1 3.265 0.012 . . . . . . A 65 HIS HB2 . 34527 1 700 . 1 . 1 65 65 HIS HB3 H 1 3.083 0.001 . . . . . . A 65 HIS HB3 . 34527 1 701 . 1 . 1 65 65 HIS HD2 H 1 6.182 0.008 . . . . . . A 65 HIS HD2 . 34527 1 702 . 1 . 1 65 65 HIS HE1 H 1 7.860 0.007 . . . . . . A 65 HIS HE1 . 34527 1 703 . 1 . 1 65 65 HIS CA C 13 59.503 0.017 . . . . . . A 65 HIS CA . 34527 1 704 . 1 . 1 65 65 HIS CB C 13 28.963 0.006 . . . . . . A 65 HIS CB . 34527 1 705 . 1 . 1 65 65 HIS CD2 C 13 125.989 0.000 . . . . . . A 65 HIS CD2 . 34527 1 706 . 1 . 1 65 65 HIS CE1 C 13 140.012 0.000 . . . . . . A 65 HIS CE1 . 34527 1 707 . 1 . 1 65 65 HIS N N 15 117.255 0.045 . . . . . . A 65 HIS N . 34527 1 708 . 1 . 1 66 66 GLU H H 1 7.586 0.004 . . . . . . A 66 GLU H . 34527 1 709 . 1 . 1 66 66 GLU HA H 1 3.202 0.002 . . . . . . A 66 GLU HA . 34527 1 710 . 1 . 1 66 66 GLU HB2 H 1 1.635 0.000 . . . . . . A 66 GLU HB2 . 34527 1 711 . 1 . 1 66 66 GLU HB3 H 1 1.677 0.000 . . . . . . A 66 GLU HB3 . 34527 1 712 . 1 . 1 66 66 GLU HG2 H 1 2.179 0.002 . . . . . . A 66 GLU HG2 . 34527 1 713 . 1 . 1 66 66 GLU HG3 H 1 1.626 0.001 . . . . . . A 66 GLU HG3 . 34527 1 714 . 1 . 1 66 66 GLU C C 13 176.843 0.009 . . . . . . A 66 GLU C . 34527 1 715 . 1 . 1 66 66 GLU CA C 13 58.019 0.034 . . . . . . A 66 GLU CA . 34527 1 716 . 1 . 1 66 66 GLU CB C 13 30.529 0.069 . . . . . . A 66 GLU CB . 34527 1 717 . 1 . 1 66 66 GLU CG C 13 36.335 0.126 . . . . . . A 66 GLU CG . 34527 1 718 . 1 . 1 66 66 GLU N N 15 113.774 0.014 . . . . . . A 66 GLU N . 34527 1 719 . 1 . 1 67 67 PHE H H 1 7.623 0.008 . . . . . . A 67 PHE H . 34527 1 720 . 1 . 1 67 67 PHE HA H 1 4.275 0.008 . . . . . . A 67 PHE HA . 34527 1 721 . 1 . 1 67 67 PHE HB2 H 1 2.880 0.000 . . . . . . A 67 PHE HB2 . 34527 1 722 . 1 . 1 67 67 PHE HB3 H 1 2.782 0.000 . . . . . . A 67 PHE HB3 . 34527 1 723 . 1 . 1 67 67 PHE HD1 H 1 6.982 0.001 . . . . . . A 67 PHE HD1 . 34527 1 724 . 1 . 1 67 67 PHE HD2 H 1 6.982 0.001 . . . . . . A 67 PHE HD2 . 34527 1 725 . 1 . 1 67 67 PHE HE1 H 1 7.071 0.000 . . . . . . A 67 PHE HE1 . 34527 1 726 . 1 . 1 67 67 PHE HE2 H 1 7.071 0.000 . . . . . . A 67 PHE HE2 . 34527 1 727 . 1 . 1 67 67 PHE C C 13 175.900 0.001 . . . . . . A 67 PHE C . 34527 1 728 . 1 . 1 67 67 PHE CA C 13 58.149 0.014 . . . . . . A 67 PHE CA . 34527 1 729 . 1 . 1 67 67 PHE CB C 13 38.941 0.009 . . . . . . A 67 PHE CB . 34527 1 730 . 1 . 1 67 67 PHE N N 15 115.799 0.013 . . . . . . A 67 PHE N . 34527 1 731 . 1 . 1 68 68 MET H H 1 7.579 0.000 . . . . . . A 68 MET H . 34527 1 732 . 1 . 1 68 68 MET HA H 1 3.819 0.002 . . . . . . A 68 MET HA . 34527 1 733 . 1 . 1 68 68 MET HB2 H 1 1.682 0.000 . . . . . . A 68 MET HB2 . 34527 1 734 . 1 . 1 68 68 MET HB3 H 1 1.712 0.000 . . . . . . A 68 MET HB3 . 34527 1 735 . 1 . 1 68 68 MET HG2 H 1 2.137 0.001 . . . . . . A 68 MET HG2 . 34527 1 736 . 1 . 1 68 68 MET C C 13 175.555 0.005 . . . . . . A 68 MET C . 34527 1 737 . 1 . 1 68 68 MET CA C 13 56.410 0.006 . . . . . . A 68 MET CA . 34527 1 738 . 1 . 1 68 68 MET CB C 13 32.068 0.021 . . . . . . A 68 MET CB . 34527 1 739 . 1 . 1 68 68 MET CG C 13 31.770 0.022 . . . . . . A 68 MET CG . 34527 1 740 . 1 . 1 68 68 MET N N 15 118.393 0.006 . . . . . . A 68 MET N . 34527 1 741 . 1 . 1 69 69 ASP H H 1 7.741 0.008 . . . . . . A 69 ASP H . 34527 1 742 . 1 . 1 69 69 ASP HA H 1 4.288 0.000 . . . . . . A 69 ASP HA . 34527 1 743 . 1 . 1 69 69 ASP C C 13 175.979 0.000 . . . . . . A 69 ASP C . 34527 1 744 . 1 . 1 69 69 ASP CA C 13 54.272 0.005 . . . . . . A 69 ASP CA . 34527 1 745 . 1 . 1 69 69 ASP CB C 13 41.127 0.021 . . . . . . A 69 ASP CB . 34527 1 746 . 1 . 1 69 69 ASP N N 15 118.572 0.009 . . . . . . A 69 ASP N . 34527 1 747 . 1 . 1 70 70 PHE H H 1 7.855 0.001 . . . . . . A 70 PHE H . 34527 1 748 . 1 . 1 70 70 PHE HA H 1 4.273 0.001 . . . . . . A 70 PHE HA . 34527 1 749 . 1 . 1 70 70 PHE HB2 H 1 2.794 0.002 . . . . . . A 70 PHE HB2 . 34527 1 750 . 1 . 1 70 70 PHE HB3 H 1 2.882 0.001 . . . . . . A 70 PHE HB3 . 34527 1 751 . 1 . 1 70 70 PHE HD1 H 1 6.982 0.000 . . . . . . A 70 PHE HD1 . 34527 1 752 . 1 . 1 70 70 PHE HD2 H 1 6.982 0.000 . . . . . . A 70 PHE HD2 . 34527 1 753 . 1 . 1 70 70 PHE HE1 H 1 7.070 0.000 . . . . . . A 70 PHE HE1 . 34527 1 754 . 1 . 1 70 70 PHE HE2 H 1 7.070 0.000 . . . . . . A 70 PHE HE2 . 34527 1 755 . 1 . 1 70 70 PHE C C 13 175.776 0.007 . . . . . . A 70 PHE C . 34527 1 756 . 1 . 1 70 70 PHE CA C 13 58.310 0.004 . . . . . . A 70 PHE CA . 34527 1 757 . 1 . 1 70 70 PHE CB C 13 39.479 0.020 . . . . . . A 70 PHE CB . 34527 1 758 . 1 . 1 70 70 PHE N N 15 118.903 0.014 . . . . . . A 70 PHE N . 34527 1 759 . 1 . 1 71 71 GLU H H 1 8.008 0.003 . . . . . . A 71 GLU H . 34527 1 760 . 1 . 1 71 71 GLU HA H 1 3.958 0.001 . . . . . . A 71 GLU HA . 34527 1 761 . 1 . 1 71 71 GLU HB2 H 1 1.657 0.000 . . . . . . A 71 GLU HB2 . 34527 1 762 . 1 . 1 71 71 GLU HB3 H 1 1.618 0.000 . . . . . . A 71 GLU HB3 . 34527 1 763 . 1 . 1 71 71 GLU HG2 H 1 1.933 0.001 . . . . . . A 71 GLU HG2 . 34527 1 764 . 1 . 1 71 71 GLU HG3 H 1 1.933 0.001 . . . . . . A 71 GLU HG3 . 34527 1 765 . 1 . 1 71 71 GLU C C 13 176.362 0.005 . . . . . . A 71 GLU C . 34527 1 766 . 1 . 1 71 71 GLU CA C 13 56.469 0.013 . . . . . . A 71 GLU CA . 34527 1 767 . 1 . 1 71 71 GLU CB C 13 30.051 0.027 . . . . . . A 71 GLU CB . 34527 1 768 . 1 . 1 71 71 GLU CG C 13 36.198 0.017 . . . . . . A 71 GLU CG . 34527 1 769 . 1 . 1 71 71 GLU N N 15 119.826 0.000 . . . . . . A 71 GLU N . 34527 1 770 . 1 . 1 72 72 LEU H H 1 7.824 0.001 . . . . . . A 72 LEU H . 34527 1 771 . 1 . 1 72 72 LEU HA H 1 4.002 0.001 . . . . . . A 72 LEU HA . 34527 1 772 . 1 . 1 72 72 LEU HB2 H 1 1.418 0.022 . . . . . . A 72 LEU HB2 . 34527 1 773 . 1 . 1 72 72 LEU HB3 H 1 1.320 0.001 . . . . . . A 72 LEU HB3 . 34527 1 774 . 1 . 1 72 72 LEU HG H 1 1.389 0.000 . . . . . . A 72 LEU HG . 34527 1 775 . 1 . 1 72 72 LEU HD11 H 1 0.625 0.001 . . . . . . A 72 LEU HD11 . 34527 1 776 . 1 . 1 72 72 LEU HD12 H 1 0.625 0.001 . . . . . . A 72 LEU HD12 . 34527 1 777 . 1 . 1 72 72 LEU HD13 H 1 0.625 0.001 . . . . . . A 72 LEU HD13 . 34527 1 778 . 1 . 1 72 72 LEU HD21 H 1 0.688 0.001 . . . . . . A 72 LEU HD21 . 34527 1 779 . 1 . 1 72 72 LEU HD22 H 1 0.688 0.001 . . . . . . A 72 LEU HD22 . 34527 1 780 . 1 . 1 72 72 LEU HD23 H 1 0.688 0.001 . . . . . . A 72 LEU HD23 . 34527 1 781 . 1 . 1 72 72 LEU C C 13 177.343 0.003 . . . . . . A 72 LEU C . 34527 1 782 . 1 . 1 72 72 LEU CA C 13 55.599 0.012 . . . . . . A 72 LEU CA . 34527 1 783 . 1 . 1 72 72 LEU CB C 13 42.272 0.016 . . . . . . A 72 LEU CB . 34527 1 784 . 1 . 1 72 72 LEU CG C 13 26.874 0.000 . . . . . . A 72 LEU CG . 34527 1 785 . 1 . 1 72 72 LEU CD1 C 13 23.630 0.021 . . . . . . A 72 LEU CD1 . 34527 1 786 . 1 . 1 72 72 LEU CD2 C 13 24.845 0.017 . . . . . . A 72 LEU CD2 . 34527 1 787 . 1 . 1 72 72 LEU N N 15 120.991 0.007 . . . . . . A 72 LEU N . 34527 1 788 . 1 . 1 73 73 ASP H H 1 8.135 0.003 . . . . . . A 73 ASP H . 34527 1 789 . 1 . 1 73 73 ASP HA H 1 4.312 0.001 . . . . . . A 73 ASP HA . 34527 1 790 . 1 . 1 73 73 ASP HB2 H 1 2.492 0.001 . . . . . . A 73 ASP HB2 . 34527 1 791 . 1 . 1 73 73 ASP HB3 H 1 2.418 0.001 . . . . . . A 73 ASP HB3 . 34527 1 792 . 1 . 1 73 73 ASP C C 13 176.820 0.000 . . . . . . A 73 ASP C . 34527 1 793 . 1 . 1 73 73 ASP CA C 13 54.444 0.017 . . . . . . A 73 ASP CA . 34527 1 794 . 1 . 1 73 73 ASP CB C 13 40.863 0.017 . . . . . . A 73 ASP CB . 34527 1 795 . 1 . 1 73 73 ASP N N 15 119.107 0.005 . . . . . . A 73 ASP N . 34527 1 796 . 1 . 1 74 74 LYS H H 1 7.955 0.001 . . . . . . A 74 LYS H . 34527 1 797 . 1 . 1 74 74 LYS HA H 1 3.964 0.001 . . . . . . A 74 LYS HA . 34527 1 798 . 1 . 1 74 74 LYS HB2 H 1 1.526 0.001 . . . . . . A 74 LYS HB2 . 34527 1 799 . 1 . 1 74 74 LYS HB3 H 1 1.606 0.001 . . . . . . A 74 LYS HB3 . 34527 1 800 . 1 . 1 74 74 LYS HG2 H 1 1.185 0.001 . . . . . . A 74 LYS HG2 . 34527 1 801 . 1 . 1 74 74 LYS HD2 H 1 1.400 0.001 . . . . . . A 74 LYS HD2 . 34527 1 802 . 1 . 1 74 74 LYS C C 13 176.806 0.008 . . . . . . A 74 LYS C . 34527 1 803 . 1 . 1 74 74 LYS CA C 13 57.090 0.012 . . . . . . A 74 LYS CA . 34527 1 804 . 1 . 1 74 74 LYS CB C 13 32.379 0.011 . . . . . . A 74 LYS CB . 34527 1 805 . 1 . 1 74 74 LYS CG C 13 24.538 0.019 . . . . . . A 74 LYS CG . 34527 1 806 . 1 . 1 74 74 LYS CD C 13 29.028 0.039 . . . . . . A 74 LYS CD . 34527 1 807 . 1 . 1 74 74 LYS CE C 13 42.059 0.014 . . . . . . A 74 LYS CE . 34527 1 808 . 1 . 1 74 74 LYS N N 15 120.341 0.004 . . . . . . A 74 LYS N . 34527 1 809 . 1 . 1 75 75 ASN H H 1 8.150 0.002 . . . . . . A 75 ASN H . 34527 1 810 . 1 . 1 75 75 ASN HA H 1 4.466 0.001 . . . . . . A 75 ASN HA . 34527 1 811 . 1 . 1 75 75 ASN HB2 H 1 2.553 0.001 . . . . . . A 75 ASN HB2 . 34527 1 812 . 1 . 1 75 75 ASN HB3 H 1 2.645 0.001 . . . . . . A 75 ASN HB3 . 34527 1 813 . 1 . 1 75 75 ASN C C 13 175.220 0.001 . . . . . . A 75 ASN C . 34527 1 814 . 1 . 1 75 75 ASN CA C 13 53.414 0.013 . . . . . . A 75 ASN CA . 34527 1 815 . 1 . 1 75 75 ASN CB C 13 38.662 0.015 . . . . . . A 75 ASN CB . 34527 1 816 . 1 . 1 75 75 ASN N N 15 116.916 0.005 . . . . . . A 75 ASN N . 34527 1 817 . 1 . 1 76 76 LYS H H 1 7.780 0.003 . . . . . . A 76 LYS H . 34527 1 818 . 1 . 1 76 76 LYS HA H 1 3.967 0.001 . . . . . . A 76 LYS HA . 34527 1 819 . 1 . 1 76 76 LYS HB2 H 1 1.617 0.000 . . . . . . A 76 LYS HB2 . 34527 1 820 . 1 . 1 76 76 LYS HG2 H 1 1.204 0.000 . . . . . . A 76 LYS HG2 . 34527 1 821 . 1 . 1 76 76 LYS C C 13 176.356 0.003 . . . . . . A 76 LYS C . 34527 1 822 . 1 . 1 76 76 LYS CA C 13 56.778 0.014 . . . . . . A 76 LYS CA . 34527 1 823 . 1 . 1 76 76 LYS CB C 13 32.617 0.037 . . . . . . A 76 LYS CB . 34527 1 824 . 1 . 1 76 76 LYS CG C 13 24.750 0.031 . . . . . . A 76 LYS CG . 34527 1 825 . 1 . 1 76 76 LYS CD C 13 29.044 0.021 . . . . . . A 76 LYS CD . 34527 1 826 . 1 . 1 76 76 LYS CE C 13 42.115 0.018 . . . . . . A 76 LYS CE . 34527 1 827 . 1 . 1 76 76 LYS N N 15 119.565 0.003 . . . . . . A 76 LYS N . 34527 1 828 . 1 . 1 77 77 GLU H H 1 8.100 0.001 . . . . . . A 77 GLU H . 34527 1 829 . 1 . 1 77 77 GLU HA H 1 4.036 0.001 . . . . . . A 77 GLU HA . 34527 1 830 . 1 . 1 77 77 GLU HB2 H 1 1.743 0.001 . . . . . . A 77 GLU HB2 . 34527 1 831 . 1 . 1 77 77 GLU HB3 H 1 1.785 0.001 . . . . . . A 77 GLU HB3 . 34527 1 832 . 1 . 1 77 77 GLU HG2 H 1 1.979 0.001 . . . . . . A 77 GLU HG2 . 34527 1 833 . 1 . 1 77 77 GLU HG3 H 1 2.046 0.000 . . . . . . A 77 GLU HG3 . 34527 1 834 . 1 . 1 77 77 GLU C C 13 176.450 0.002 . . . . . . A 77 GLU C . 34527 1 835 . 1 . 1 77 77 GLU CA C 13 56.645 0.013 . . . . . . A 77 GLU CA . 34527 1 836 . 1 . 1 77 77 GLU CB C 13 30.135 0.017 . . . . . . A 77 GLU CB . 34527 1 837 . 1 . 1 77 77 GLU CG C 13 36.228 0.020 . . . . . . A 77 GLU CG . 34527 1 838 . 1 . 1 77 77 GLU N N 15 120.001 0.004 . . . . . . A 77 GLU N . 34527 1 839 . 1 . 1 78 78 VAL H H 1 7.949 0.002 . . . . . . A 78 VAL H . 34527 1 840 . 1 . 1 78 78 VAL HA H 1 3.828 0.001 . . . . . . A 78 VAL HA . 34527 1 841 . 1 . 1 78 78 VAL HB H 1 1.835 0.001 . . . . . . A 78 VAL HB . 34527 1 842 . 1 . 1 78 78 VAL HG11 H 1 0.681 0.001 . . . . . . A 78 VAL HG11 . 34527 1 843 . 1 . 1 78 78 VAL HG12 H 1 0.681 0.001 . . . . . . A 78 VAL HG12 . 34527 1 844 . 1 . 1 78 78 VAL HG13 H 1 0.681 0.001 . . . . . . A 78 VAL HG13 . 34527 1 845 . 1 . 1 78 78 VAL HG21 H 1 0.719 0.002 . . . . . . A 78 VAL HG21 . 34527 1 846 . 1 . 1 78 78 VAL HG22 H 1 0.719 0.002 . . . . . . A 78 VAL HG22 . 34527 1 847 . 1 . 1 78 78 VAL HG23 H 1 0.719 0.002 . . . . . . A 78 VAL HG23 . 34527 1 848 . 1 . 1 78 78 VAL C C 13 176.257 0.003 . . . . . . A 78 VAL C . 34527 1 849 . 1 . 1 78 78 VAL CA C 13 62.669 0.016 . . . . . . A 78 VAL CA . 34527 1 850 . 1 . 1 78 78 VAL CB C 13 32.384 0.016 . . . . . . A 78 VAL CB . 34527 1 851 . 1 . 1 78 78 VAL CG1 C 13 20.787 0.017 . . . . . . A 78 VAL CG1 . 34527 1 852 . 1 . 1 78 78 VAL CG2 C 13 21.276 0.017 . . . . . . A 78 VAL CG2 . 34527 1 853 . 1 . 1 78 78 VAL N N 15 120.340 0.005 . . . . . . A 78 VAL N . 34527 1 854 . 1 . 1 79 79 ILE H H 1 7.970 0.001 . . . . . . A 79 ILE H . 34527 1 855 . 1 . 1 79 79 ILE HA H 1 3.872 0.001 . . . . . . A 79 ILE HA . 34527 1 856 . 1 . 1 79 79 ILE HB H 1 1.608 0.000 . . . . . . A 79 ILE HB . 34527 1 857 . 1 . 1 79 79 ILE HG12 H 1 1.239 0.000 . . . . . . A 79 ILE HG12 . 34527 1 858 . 1 . 1 79 79 ILE HG13 H 1 0.950 0.001 . . . . . . A 79 ILE HG13 . 34527 1 859 . 1 . 1 79 79 ILE HG21 H 1 0.651 0.000 . . . . . . A 79 ILE HG21 . 34527 1 860 . 1 . 1 79 79 ILE HG22 H 1 0.651 0.000 . . . . . . A 79 ILE HG22 . 34527 1 861 . 1 . 1 79 79 ILE HG23 H 1 0.651 0.000 . . . . . . A 79 ILE HG23 . 34527 1 862 . 1 . 1 79 79 ILE HD11 H 1 0.608 0.000 . . . . . . A 79 ILE HD11 . 34527 1 863 . 1 . 1 79 79 ILE HD12 H 1 0.608 0.000 . . . . . . A 79 ILE HD12 . 34527 1 864 . 1 . 1 79 79 ILE HD13 H 1 0.608 0.000 . . . . . . A 79 ILE HD13 . 34527 1 865 . 1 . 1 79 79 ILE C C 13 175.875 0.001 . . . . . . A 79 ILE C . 34527 1 866 . 1 . 1 79 79 ILE CA C 13 61.318 0.012 . . . . . . A 79 ILE CA . 34527 1 867 . 1 . 1 79 79 ILE CB C 13 38.582 0.013 . . . . . . A 79 ILE CB . 34527 1 868 . 1 . 1 79 79 ILE CG1 C 13 27.339 0.031 . . . . . . A 79 ILE CG1 . 34527 1 869 . 1 . 1 79 79 ILE CG2 C 13 17.377 0.015 . . . . . . A 79 ILE CG2 . 34527 1 870 . 1 . 1 79 79 ILE CD1 C 13 12.744 0.017 . . . . . . A 79 ILE CD1 . 34527 1 871 . 1 . 1 79 79 ILE N N 15 123.476 0.003 . . . . . . A 79 ILE N . 34527 1 872 . 1 . 1 80 80 ASP H H 1 8.208 0.001 . . . . . . A 80 ASP H . 34527 1 873 . 1 . 1 80 80 ASP HA H 1 4.362 0.000 . . . . . . A 80 ASP HA . 34527 1 874 . 1 . 1 80 80 ASP HB2 H 1 2.500 0.001 . . . . . . A 80 ASP HB2 . 34527 1 875 . 1 . 1 80 80 ASP HB3 H 1 2.393 0.001 . . . . . . A 80 ASP HB3 . 34527 1 876 . 1 . 1 80 80 ASP C C 13 176.313 0.002 . . . . . . A 80 ASP C . 34527 1 877 . 1 . 1 80 80 ASP CA C 13 54.188 0.017 . . . . . . A 80 ASP CA . 34527 1 878 . 1 . 1 80 80 ASP CB C 13 41.014 0.017 . . . . . . A 80 ASP CB . 34527 1 879 . 1 . 1 80 80 ASP N N 15 123.007 0.004 . . . . . . A 80 ASP N . 34527 1 880 . 1 . 1 81 81 LYS H H 1 8.072 0.001 . . . . . . A 81 LYS H . 34527 1 881 . 1 . 1 81 81 LYS HA H 1 4.053 0.001 . . . . . . A 81 LYS HA . 34527 1 882 . 1 . 1 81 81 LYS HB2 H 1 1.650 0.000 . . . . . . A 81 LYS HB2 . 34527 1 883 . 1 . 1 81 81 LYS HG2 H 1 1.231 0.000 . . . . . . A 81 LYS HG2 . 34527 1 884 . 1 . 1 81 81 LYS C C 13 176.724 0.001 . . . . . . A 81 LYS C . 34527 1 885 . 1 . 1 81 81 LYS CA C 13 56.406 0.017 . . . . . . A 81 LYS CA . 34527 1 886 . 1 . 1 81 81 LYS CB C 13 32.583 0.016 . . . . . . A 81 LYS CB . 34527 1 887 . 1 . 1 81 81 LYS CG C 13 24.764 0.020 . . . . . . A 81 LYS CG . 34527 1 888 . 1 . 1 81 81 LYS CD C 13 28.992 0.019 . . . . . . A 81 LYS CD . 34527 1 889 . 1 . 1 81 81 LYS CE C 13 42.050 0.015 . . . . . . A 81 LYS CE . 34527 1 890 . 1 . 1 81 81 LYS N N 15 121.531 0.005 . . . . . . A 81 LYS N . 34527 1 891 . 1 . 1 82 82 ARG H H 1 8.098 0.001 . . . . . . A 82 ARG H . 34527 1 892 . 1 . 1 82 82 ARG HA H 1 4.021 0.001 . . . . . . A 82 ARG HA . 34527 1 893 . 1 . 1 82 82 ARG HB2 H 1 1.624 0.001 . . . . . . A 82 ARG HB2 . 34527 1 894 . 1 . 1 82 82 ARG HG2 H 1 1.425 0.000 . . . . . . A 82 ARG HG2 . 34527 1 895 . 1 . 1 82 82 ARG HD2 H 1 2.964 0.002 . . . . . . A 82 ARG HD2 . 34527 1 896 . 1 . 1 82 82 ARG C C 13 176.398 0.002 . . . . . . A 82 ARG C . 34527 1 897 . 1 . 1 82 82 ARG CA C 13 56.640 0.014 . . . . . . A 82 ARG CA . 34527 1 898 . 1 . 1 82 82 ARG CB C 13 30.411 0.012 . . . . . . A 82 ARG CB . 34527 1 899 . 1 . 1 82 82 ARG CG C 13 27.009 0.019 . . . . . . A 82 ARG CG . 34527 1 900 . 1 . 1 82 82 ARG CD C 13 43.362 0.020 . . . . . . A 82 ARG CD . 34527 1 901 . 1 . 1 82 82 ARG N N 15 120.298 0.005 . . . . . . A 82 ARG N . 34527 1 902 . 1 . 1 83 83 LYS H H 1 8.033 0.002 . . . . . . A 83 LYS H . 34527 1 903 . 1 . 1 83 83 LYS HA H 1 4.114 0.000 . . . . . . A 83 LYS HA . 34527 1 904 . 1 . 1 83 83 LYS HB2 H 1 1.638 0.000 . . . . . . A 83 LYS HB2 . 34527 1 905 . 1 . 1 83 83 LYS HG2 H 1 1.227 0.000 . . . . . . A 83 LYS HG2 . 34527 1 906 . 1 . 1 83 83 LYS HD2 H 1 1.549 0.000 . . . . . . A 83 LYS HD2 . 34527 1 907 . 1 . 1 83 83 LYS HE2 H 1 2.808 0.000 . . . . . . A 83 LYS HE2 . 34527 1 908 . 1 . 1 83 83 LYS C C 13 175.911 0.000 . . . . . . A 83 LYS C . 34527 1 909 . 1 . 1 83 83 LYS CA C 13 56.177 0.002 . . . . . . A 83 LYS CA . 34527 1 910 . 1 . 1 83 83 LYS CB C 13 32.996 0.023 . . . . . . A 83 LYS CB . 34527 1 911 . 1 . 1 83 83 LYS CG C 13 24.606 0.000 . . . . . . A 83 LYS CG . 34527 1 912 . 1 . 1 83 83 LYS CD C 13 28.903 0.000 . . . . . . A 83 LYS CD . 34527 1 913 . 1 . 1 83 83 LYS CE C 13 42.011 0.000 . . . . . . A 83 LYS CE . 34527 1 914 . 1 . 1 83 83 LYS N N 15 121.079 0.005 . . . . . . A 83 LYS N . 34527 1 915 . 1 . 1 84 84 GLY H H 1 7.761 0.002 . . . . . . A 84 GLY H . 34527 1 916 . 1 . 1 84 84 GLY C C 13 178.825 0.000 . . . . . . A 84 GLY C . 34527 1 917 . 1 . 1 84 84 GLY CA C 13 46.033 0.000 . . . . . . A 84 GLY CA . 34527 1 918 . 1 . 1 84 84 GLY N N 15 115.133 0.007 . . . . . . A 84 GLY N . 34527 1 stop_ save_