data_19694 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19694 _Entry.Title ; Structure of FHL2 LIM adaptor and its Interaction with Ski ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-20 _Entry.Accession_date 2013-12-20 _Entry.Last_release_date 2014-01-13 _Entry.Original_release_date 2014-01-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yanwu Yang . . . 19694 2 Yaqin Sun . . . 19694 3 Estela Medrano . E. . 19694 4 Xiao-Li Yian . . . 19694 5 Michael Weiss . A. . 19694 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19694 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FHL2 . 19694 'LIM domain' . 19694 NMR . 19694 'Solution Structure' . 19694 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19694 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 601 19694 '13C chemical shifts' 303 19694 '15N chemical shifts' 101 19694 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-01-13 2013-12-20 original author . 19694 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MIU 'BMRB Entry Tracking System' 19694 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19694 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure of FHL2 LIM adaptor and its Interaction with Ski' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yanwu Yang . . . 19694 1 2 Yaqin Sun . . . 19694 1 3 Estela Medrano . E. . 19694 1 4 Xiao-Li Yian . . . 19694 1 5 Michael Weiss . A. . 19694 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19694 _Assembly.ID 1 _Assembly.Name 'FHL2 LIM adaptor and its Interaction with Ski' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 'FHL2 LIM adaptor' 1 $FHL2_LIM A . yes native no no . . . 19694 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19694 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 19694 1 4 'ZINC ION_3' 2 $entity_ZN D . no native no no . . . 19694 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FHL2_LIM _Entity.Sf_category entity _Entity.Sf_framecode FHL2_LIM _Entity.Entry_ID 19694 _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 ; MTERFDCHHCNESLFGKKYI LREESPYCVVCFETLFANTC EECGKPIGCDCKDLSYKDRH WHEACFHCSQCRNSLVDKPF AAKEDQLLCTDCYSNEYS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11485.008 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MIU . "Structure Of Fhl2 Lim Adaptor And Its Interaction With Ski" . . . . . 100.00 98 100.00 100.00 1.07e-64 . . . . 19694 1 2 no DBJ BAD69710 . "splice variant of four and a half LIM domain protein 2 [Homo sapiens]" . . . . . 53.06 151 100.00 100.00 1.59e-30 . . . . 19694 1 3 no GB AAY14896 . "unknown [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 9.38e-65 . . . . 19694 1 4 no REF XP_011509101 . "PREDICTED: four and a half LIM domains protein 2 isoform X3 [Homo sapiens]" . . . . . 54.08 166 100.00 100.00 4.71e-30 . . . . 19694 1 5 no REF XP_011509102 . "PREDICTED: four and a half LIM domains protein 2 isoform X3 [Homo sapiens]" . . . . . 54.08 166 100.00 100.00 4.71e-30 . . . . 19694 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19694 1 2 2 THR . 19694 1 3 3 GLU . 19694 1 4 4 ARG . 19694 1 5 5 PHE . 19694 1 6 6 ASP . 19694 1 7 7 CYS . 19694 1 8 8 HIS . 19694 1 9 9 HIS . 19694 1 10 10 CYS . 19694 1 11 11 ASN . 19694 1 12 12 GLU . 19694 1 13 13 SER . 19694 1 14 14 LEU . 19694 1 15 15 PHE . 19694 1 16 16 GLY . 19694 1 17 17 LYS . 19694 1 18 18 LYS . 19694 1 19 19 TYR . 19694 1 20 20 ILE . 19694 1 21 21 LEU . 19694 1 22 22 ARG . 19694 1 23 23 GLU . 19694 1 24 24 GLU . 19694 1 25 25 SER . 19694 1 26 26 PRO . 19694 1 27 27 TYR . 19694 1 28 28 CYS . 19694 1 29 29 VAL . 19694 1 30 30 VAL . 19694 1 31 31 CYS . 19694 1 32 32 PHE . 19694 1 33 33 GLU . 19694 1 34 34 THR . 19694 1 35 35 LEU . 19694 1 36 36 PHE . 19694 1 37 37 ALA . 19694 1 38 38 ASN . 19694 1 39 39 THR . 19694 1 40 40 CYS . 19694 1 41 41 GLU . 19694 1 42 42 GLU . 19694 1 43 43 CYS . 19694 1 44 44 GLY . 19694 1 45 45 LYS . 19694 1 46 46 PRO . 19694 1 47 47 ILE . 19694 1 48 48 GLY . 19694 1 49 49 CYS . 19694 1 50 50 ASP . 19694 1 51 51 CYS . 19694 1 52 52 LYS . 19694 1 53 53 ASP . 19694 1 54 54 LEU . 19694 1 55 55 SER . 19694 1 56 56 TYR . 19694 1 57 57 LYS . 19694 1 58 58 ASP . 19694 1 59 59 ARG . 19694 1 60 60 HIS . 19694 1 61 61 TRP . 19694 1 62 62 HIS . 19694 1 63 63 GLU . 19694 1 64 64 ALA . 19694 1 65 65 CYS . 19694 1 66 66 PHE . 19694 1 67 67 HIS . 19694 1 68 68 CYS . 19694 1 69 69 SER . 19694 1 70 70 GLN . 19694 1 71 71 CYS . 19694 1 72 72 ARG . 19694 1 73 73 ASN . 19694 1 74 74 SER . 19694 1 75 75 LEU . 19694 1 76 76 VAL . 19694 1 77 77 ASP . 19694 1 78 78 LYS . 19694 1 79 79 PRO . 19694 1 80 80 PHE . 19694 1 81 81 ALA . 19694 1 82 82 ALA . 19694 1 83 83 LYS . 19694 1 84 84 GLU . 19694 1 85 85 ASP . 19694 1 86 86 GLN . 19694 1 87 87 LEU . 19694 1 88 88 LEU . 19694 1 89 89 CYS . 19694 1 90 90 THR . 19694 1 91 91 ASP . 19694 1 92 92 CYS . 19694 1 93 93 TYR . 19694 1 94 94 SER . 19694 1 95 95 ASN . 19694 1 96 96 GLU . 19694 1 97 97 TYR . 19694 1 98 98 SER . 19694 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19694 1 . THR 2 2 19694 1 . GLU 3 3 19694 1 . ARG 4 4 19694 1 . PHE 5 5 19694 1 . ASP 6 6 19694 1 . CYS 7 7 19694 1 . HIS 8 8 19694 1 . HIS 9 9 19694 1 . CYS 10 10 19694 1 . ASN 11 11 19694 1 . GLU 12 12 19694 1 . SER 13 13 19694 1 . LEU 14 14 19694 1 . PHE 15 15 19694 1 . GLY 16 16 19694 1 . LYS 17 17 19694 1 . LYS 18 18 19694 1 . TYR 19 19 19694 1 . ILE 20 20 19694 1 . LEU 21 21 19694 1 . ARG 22 22 19694 1 . GLU 23 23 19694 1 . GLU 24 24 19694 1 . SER 25 25 19694 1 . PRO 26 26 19694 1 . TYR 27 27 19694 1 . CYS 28 28 19694 1 . VAL 29 29 19694 1 . VAL 30 30 19694 1 . CYS 31 31 19694 1 . PHE 32 32 19694 1 . GLU 33 33 19694 1 . THR 34 34 19694 1 . LEU 35 35 19694 1 . PHE 36 36 19694 1 . ALA 37 37 19694 1 . ASN 38 38 19694 1 . THR 39 39 19694 1 . CYS 40 40 19694 1 . GLU 41 41 19694 1 . GLU 42 42 19694 1 . CYS 43 43 19694 1 . GLY 44 44 19694 1 . LYS 45 45 19694 1 . PRO 46 46 19694 1 . ILE 47 47 19694 1 . GLY 48 48 19694 1 . CYS 49 49 19694 1 . ASP 50 50 19694 1 . CYS 51 51 19694 1 . LYS 52 52 19694 1 . ASP 53 53 19694 1 . LEU 54 54 19694 1 . SER 55 55 19694 1 . TYR 56 56 19694 1 . LYS 57 57 19694 1 . ASP 58 58 19694 1 . ARG 59 59 19694 1 . HIS 60 60 19694 1 . TRP 61 61 19694 1 . HIS 62 62 19694 1 . GLU 63 63 19694 1 . ALA 64 64 19694 1 . CYS 65 65 19694 1 . PHE 66 66 19694 1 . HIS 67 67 19694 1 . CYS 68 68 19694 1 . SER 69 69 19694 1 . GLN 70 70 19694 1 . CYS 71 71 19694 1 . ARG 72 72 19694 1 . ASN 73 73 19694 1 . SER 74 74 19694 1 . LEU 75 75 19694 1 . VAL 76 76 19694 1 . ASP 77 77 19694 1 . LYS 78 78 19694 1 . PRO 79 79 19694 1 . PHE 80 80 19694 1 . ALA 81 81 19694 1 . ALA 82 82 19694 1 . LYS 83 83 19694 1 . GLU 84 84 19694 1 . ASP 85 85 19694 1 . GLN 86 86 19694 1 . LEU 87 87 19694 1 . LEU 88 88 19694 1 . CYS 89 89 19694 1 . THR 90 90 19694 1 . ASP 91 91 19694 1 . CYS 92 92 19694 1 . TYR 93 93 19694 1 . SER 94 94 19694 1 . ASN 95 95 19694 1 . GLU 96 96 19694 1 . TYR 97 97 19694 1 . SER 98 98 19694 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19694 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Nonpolymer_comp_label . _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 19694 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 19694 2 ZN 'Three letter code' 19694 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 19694 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 19694 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FHL2_LIM . 9606 'not applicable' . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19694 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 19694 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FHL2_LIM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pGEX-5X-3 . . . . . . 19694 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 19694 _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.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 19694 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19694 ZN [Zn++] SMILES CACTVS 3.341 19694 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19694 ZN [Zn+2] SMILES ACDLabs 10.04 19694 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19694 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19694 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 19694 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19694 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 . 19694 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19694 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19694 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19694 1 3 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 19694 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19694 1 5 'FHL2 LIM adaptor' '[U-13C; U-15N]' . . 1 $FHL2_LIM . . . 0.5 0.8 mM . . . . 19694 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 19694 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 19694 1 pH 6.5 . pH 19694 1 pressure 1 . atm 19694 1 'ionic strength' 0.05 . M 19694 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19694 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19694 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19694 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 19694 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 19694 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19694 2 'data analysis' 19694 2 stop_ save_ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID 19694 _Software.ID 3 _Software.Name InsightII _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19694 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19694 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19694 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19694 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19694 4 refinement 19694 4 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 19694 _Software.ID 5 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19694 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19694 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19694 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19694 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19694 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19694 1 2 spectrometer_2 Bruker Avance . 800 . . . 19694 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 19694 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19694 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19694 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19694 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19694 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19694 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19694 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19694 1 2 '2D 1H-13C HSQC' . . . 19694 1 3 '3D HNCACB' . . . 19694 1 4 '3D CBCA(CO)NH' . . . 19694 1 5 '3D C(CO)NH' . . . 19694 1 6 '3D H(CCO)NH' . . . 19694 1 7 '3D HCCH-TOCSY' . . . 19694 1 9 '3D 1H-13C NOESY' . . . 19694 1 10 '3D 1H-15N NOESY' . . . 19694 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.4200 . . . . . . A 1 MET HA . 19694 1 2 . 1 1 1 1 MET HB2 H 1 2.2600 . . . . . . A 1 MET HB2 . 19694 1 3 . 1 1 1 1 MET HB3 H 1 1.9100 . . . . . . A 1 MET HB3 . 19694 1 4 . 1 1 1 1 MET HG2 H 1 2.7500 . . . . . . A 1 MET HG2 . 19694 1 5 . 1 1 1 1 MET HG3 H 1 2.5400 . . . . . . A 1 MET HG3 . 19694 1 6 . 1 1 1 1 MET HE1 H 1 2.1100 . . . . . . A 1 MET HE1 . 19694 1 7 . 1 1 1 1 MET HE2 H 1 2.1100 . . . . . . A 1 MET HE2 . 19694 1 8 . 1 1 1 1 MET HE3 H 1 2.1100 . . . . . . A 1 MET HE3 . 19694 1 9 . 1 1 1 1 MET CA C 13 63.4400 . . . . . . A 1 MET CA . 19694 1 10 . 1 1 1 1 MET CB C 13 32.1900 . . . . . . A 1 MET CB . 19694 1 11 . 1 1 1 1 MET CG C 13 32.4500 . . . . . . A 1 MET CG . 19694 1 12 . 1 1 1 1 MET CE C 13 16.9600 . . . . . . A 1 MET CE . 19694 1 13 . 1 1 2 2 THR H H 1 8.0900 . . . . . . A 2 THR H . 19694 1 14 . 1 1 2 2 THR HA H 1 4.2400 . . . . . . A 2 THR HA . 19694 1 15 . 1 1 2 2 THR HB H 1 4.2000 . . . . . . A 2 THR HB . 19694 1 16 . 1 1 2 2 THR HG21 H 1 1.1800 . . . . . . A 2 THR HG21 . 19694 1 17 . 1 1 2 2 THR HG22 H 1 1.1800 . . . . . . A 2 THR HG22 . 19694 1 18 . 1 1 2 2 THR HG23 H 1 1.1800 . . . . . . A 2 THR HG23 . 19694 1 19 . 1 1 2 2 THR CA C 13 62.1300 . . . . . . A 2 THR CA . 19694 1 20 . 1 1 2 2 THR CB C 13 69.2500 . . . . . . A 2 THR CB . 19694 1 21 . 1 1 2 2 THR CG2 C 13 21.7800 . . . . . . A 2 THR CG2 . 19694 1 22 . 1 1 2 2 THR N N 15 113.5700 . . . . . . A 2 THR N . 19694 1 23 . 1 1 3 3 GLU H H 1 8.2800 . . . . . . A 3 GLU H . 19694 1 24 . 1 1 3 3 GLU HA H 1 4.2800 . . . . . . A 3 GLU HA . 19694 1 25 . 1 1 3 3 GLU HB2 H 1 1.9200 . . . . . . A 3 GLU HB2 . 19694 1 26 . 1 1 3 3 GLU HB3 H 1 2.0100 . . . . . . A 3 GLU HB3 . 19694 1 27 . 1 1 3 3 GLU HG2 H 1 2.2200 . . . . . . A 3 GLU HG2 . 19694 1 28 . 1 1 3 3 GLU CA C 13 56.8600 . . . . . . A 3 GLU CA . 19694 1 29 . 1 1 3 3 GLU CB C 13 30.5700 . . . . . . A 3 GLU CB . 19694 1 30 . 1 1 3 3 GLU CG C 13 36.3500 . . . . . . A 3 GLU CG . 19694 1 31 . 1 1 3 3 GLU N N 15 122.8800 . . . . . . A 3 GLU N . 19694 1 32 . 1 1 4 4 ARG H H 1 8.2800 . . . . . . A 4 ARG H . 19694 1 33 . 1 1 4 4 ARG HA H 1 4.3000 . . . . . . A 4 ARG HA . 19694 1 34 . 1 1 4 4 ARG HB2 H 1 1.8100 . . . . . . A 4 ARG HB2 . 19694 1 35 . 1 1 4 4 ARG HB3 H 1 1.6400 . . . . . . A 4 ARG HB3 . 19694 1 36 . 1 1 4 4 ARG HG2 H 1 1.4700 . . . . . . A 4 ARG HG2 . 19694 1 37 . 1 1 4 4 ARG HG3 H 1 1.5800 . . . . . . A 4 ARG HG3 . 19694 1 38 . 1 1 4 4 ARG HD2 H 1 3.2000 . . . . . . A 4 ARG HD2 . 19694 1 39 . 1 1 4 4 ARG HD3 H 1 3.0700 . . . . . . A 4 ARG HD3 . 19694 1 40 . 1 1 4 4 ARG HE H 1 6.2000 . . . . . . A 4 ARG HE . 19694 1 41 . 1 1 4 4 ARG CA C 13 55.8700 . . . . . . A 4 ARG CA . 19694 1 42 . 1 1 4 4 ARG CB C 13 31.6400 . . . . . . A 4 ARG CB . 19694 1 43 . 1 1 4 4 ARG CG C 13 27.5000 . . . . . . A 4 ARG CG . 19694 1 44 . 1 1 4 4 ARG CD C 13 42.6600 . . . . . . A 4 ARG CD . 19694 1 45 . 1 1 4 4 ARG N N 15 121.3300 . . . . . . A 4 ARG N . 19694 1 46 . 1 1 5 5 PHE H H 1 8.2900 . . . . . . A 5 PHE H . 19694 1 47 . 1 1 5 5 PHE HA H 1 4.6100 . . . . . . A 5 PHE HA . 19694 1 48 . 1 1 5 5 PHE HB2 H 1 2.4000 . . . . . . A 5 PHE HB2 . 19694 1 49 . 1 1 5 5 PHE HB3 H 1 2.5700 . . . . . . A 5 PHE HB3 . 19694 1 50 . 1 1 5 5 PHE HD1 H 1 6.7600 . . . . . . A 5 PHE HD1 . 19694 1 51 . 1 1 5 5 PHE HD2 H 1 6.7600 . . . . . . A 5 PHE HD2 . 19694 1 52 . 1 1 5 5 PHE HE1 H 1 7.2800 . . . . . . A 5 PHE HE1 . 19694 1 53 . 1 1 5 5 PHE HE2 H 1 7.2800 . . . . . . A 5 PHE HE2 . 19694 1 54 . 1 1 5 5 PHE HZ H 1 6.7600 . . . . . . A 5 PHE HZ . 19694 1 55 . 1 1 5 5 PHE CA C 13 56.3800 . . . . . . A 5 PHE CA . 19694 1 56 . 1 1 5 5 PHE CB C 13 39.5600 . . . . . . A 5 PHE CB . 19694 1 57 . 1 1 5 5 PHE CD1 C 13 131.6100 . . . . . . A 5 PHE CD1 . 19694 1 58 . 1 1 5 5 PHE CD2 C 13 131.6100 . . . . . . A 5 PHE CD2 . 19694 1 59 . 1 1 5 5 PHE N N 15 125.4900 . . . . . . A 5 PHE N . 19694 1 60 . 1 1 6 6 ASP H H 1 7.9400 . . . . . . A 6 ASP H . 19694 1 61 . 1 1 6 6 ASP HA H 1 5.0450 . . . . . . A 6 ASP HA . 19694 1 62 . 1 1 6 6 ASP HB2 H 1 2.0700 . . . . . . A 6 ASP HB2 . 19694 1 63 . 1 1 6 6 ASP CA C 13 52.1800 . . . . . . A 6 ASP CA . 19694 1 64 . 1 1 6 6 ASP CB C 13 44.2100 . . . . . . A 6 ASP CB . 19694 1 65 . 1 1 6 6 ASP N N 15 123.2600 . . . . . . A 6 ASP N . 19694 1 66 . 1 1 7 7 CYS H H 1 8.7000 . . . . . . A 7 CYS H . 19694 1 67 . 1 1 7 7 CYS HA H 1 3.9600 . . . . . . A 7 CYS HA . 19694 1 68 . 1 1 7 7 CYS HB2 H 1 3.3600 . . . . . . A 7 CYS HB2 . 19694 1 69 . 1 1 7 7 CYS HB3 H 1 2.7800 . . . . . . A 7 CYS HB3 . 19694 1 70 . 1 1 7 7 CYS CA C 13 59.8200 . . . . . . A 7 CYS CA . 19694 1 71 . 1 1 7 7 CYS CB C 13 30.9500 . . . . . . A 7 CYS CB . 19694 1 72 . 1 1 7 7 CYS N N 15 121.4400 . . . . . . A 7 CYS N . 19694 1 73 . 1 1 8 8 HIS H H 1 9.1600 . . . . . . A 8 HIS H . 19694 1 74 . 1 1 8 8 HIS HA H 1 4.2000 . . . . . . A 8 HIS HA . 19694 1 75 . 1 1 8 8 HIS HB2 H 1 2.3150 . . . . . . A 8 HIS HB2 . 19694 1 76 . 1 1 8 8 HIS HB3 H 1 2.7500 . . . . . . A 8 HIS HB3 . 19694 1 77 . 1 1 8 8 HIS HD2 H 1 7.5800 . . . . . . A 8 HIS HD2 . 19694 1 78 . 1 1 8 8 HIS HE1 H 1 7.2400 . . . . . . A 8 HIS HE1 . 19694 1 79 . 1 1 8 8 HIS CA C 13 58.2400 . . . . . . A 8 HIS CA . 19694 1 80 . 1 1 8 8 HIS CB C 13 29.4800 . . . . . . A 8 HIS CB . 19694 1 81 . 1 1 8 8 HIS N N 15 129.3900 . . . . . . A 8 HIS N . 19694 1 82 . 1 1 9 9 HIS H H 1 9.2700 . . . . . . A 9 HIS H . 19694 1 83 . 1 1 9 9 HIS HA H 1 4.8800 . . . . . . A 9 HIS HA . 19694 1 84 . 1 1 9 9 HIS HB2 H 1 4.3200 . . . . . . A 9 HIS HB2 . 19694 1 85 . 1 1 9 9 HIS HB3 H 1 3.0950 . . . . . . A 9 HIS HB3 . 19694 1 86 . 1 1 9 9 HIS HD2 H 1 7.7200 . . . . . . A 9 HIS HD2 . 19694 1 87 . 1 1 9 9 HIS HE1 H 1 7.2400 . . . . . . A 9 HIS HE1 . 19694 1 88 . 1 1 9 9 HIS CA C 13 58.6800 . . . . . . A 9 HIS CA . 19694 1 89 . 1 1 9 9 HIS CB C 13 31.0400 . . . . . . A 9 HIS CB . 19694 1 90 . 1 1 9 9 HIS N N 15 118.7400 . . . . . . A 9 HIS N . 19694 1 91 . 1 1 10 10 CYS H H 1 8.5500 . . . . . . A 10 CYS H . 19694 1 92 . 1 1 10 10 CYS HA H 1 4.6000 . . . . . . A 10 CYS HA . 19694 1 93 . 1 1 10 10 CYS HB2 H 1 2.7100 . . . . . . A 10 CYS HB2 . 19694 1 94 . 1 1 10 10 CYS HB3 H 1 3.2600 . . . . . . A 10 CYS HB3 . 19694 1 95 . 1 1 10 10 CYS CA C 13 59.6000 . . . . . . A 10 CYS CA . 19694 1 96 . 1 1 10 10 CYS CB C 13 32.3300 . . . . . . A 10 CYS CB . 19694 1 97 . 1 1 10 10 CYS N N 15 118.6000 . . . . . . A 10 CYS N . 19694 1 98 . 1 1 11 11 ASN H H 1 7.6900 . . . . . . A 11 ASN H . 19694 1 99 . 1 1 11 11 ASN HA H 1 4.4100 . . . . . . A 11 ASN HA . 19694 1 100 . 1 1 11 11 ASN HB2 H 1 2.8500 . . . . . . A 11 ASN HB2 . 19694 1 101 . 1 1 11 11 ASN HB3 H 1 2.9900 . . . . . . A 11 ASN HB3 . 19694 1 102 . 1 1 11 11 ASN HD21 H 1 7.3200 . . . . . . A 11 ASN HD21 . 19694 1 103 . 1 1 11 11 ASN HD22 H 1 6.5600 . . . . . . A 11 ASN HD22 . 19694 1 104 . 1 1 11 11 ASN CA C 13 55.6400 . . . . . . A 11 ASN CA . 19694 1 105 . 1 1 11 11 ASN CB C 13 38.2000 . . . . . . A 11 ASN CB . 19694 1 106 . 1 1 11 11 ASN N N 15 116.2200 . . . . . . A 11 ASN N . 19694 1 107 . 1 1 11 11 ASN ND2 N 15 112.1100 . . . . . . A 11 ASN ND2 . 19694 1 108 . 1 1 12 12 GLU H H 1 8.2100 . . . . . . A 12 GLU H . 19694 1 109 . 1 1 12 12 GLU HA H 1 4.2200 . . . . . . A 12 GLU HA . 19694 1 110 . 1 1 12 12 GLU HB2 H 1 2.0200 . . . . . . A 12 GLU HB2 . 19694 1 111 . 1 1 12 12 GLU HG2 H 1 2.4450 . . . . . . A 12 GLU HG2 . 19694 1 112 . 1 1 12 12 GLU HG3 H 1 2.3000 . . . . . . A 12 GLU HG3 . 19694 1 113 . 1 1 12 12 GLU CA C 13 56.7000 . . . . . . A 12 GLU CA . 19694 1 114 . 1 1 12 12 GLU CB C 13 30.9100 . . . . . . A 12 GLU CB . 19694 1 115 . 1 1 12 12 GLU CG C 13 36.7600 . . . . . . A 12 GLU CG . 19694 1 116 . 1 1 12 12 GLU N N 15 120.3300 . . . . . . A 12 GLU N . 19694 1 117 . 1 1 13 13 SER H H 1 8.5200 . . . . . . A 13 SER H . 19694 1 118 . 1 1 13 13 SER HA H 1 4.0600 . . . . . . A 13 SER HA . 19694 1 119 . 1 1 13 13 SER HB2 H 1 3.8900 . . . . . . A 13 SER HB2 . 19694 1 120 . 1 1 13 13 SER CA C 13 59.3500 . . . . . . A 13 SER CA . 19694 1 121 . 1 1 13 13 SER CB C 13 63.8200 . . . . . . A 13 SER CB . 19694 1 122 . 1 1 13 13 SER N N 15 116.1900 . . . . . . A 13 SER N . 19694 1 123 . 1 1 14 14 LEU H H 1 8.9100 . . . . . . A 14 LEU H . 19694 1 124 . 1 1 14 14 LEU HA H 1 4.3100 . . . . . . A 14 LEU HA . 19694 1 125 . 1 1 14 14 LEU HB2 H 1 1.2400 . . . . . . A 14 LEU HB2 . 19694 1 126 . 1 1 14 14 LEU HB3 H 1 0.8700 . . . . . . A 14 LEU HB3 . 19694 1 127 . 1 1 14 14 LEU HG H 1 1.4200 . . . . . . A 14 LEU HG . 19694 1 128 . 1 1 14 14 LEU HD11 H 1 0.7500 . . . . . . A 14 LEU HD11 . 19694 1 129 . 1 1 14 14 LEU HD12 H 1 0.7500 . . . . . . A 14 LEU HD12 . 19694 1 130 . 1 1 14 14 LEU HD13 H 1 0.7500 . . . . . . A 14 LEU HD13 . 19694 1 131 . 1 1 14 14 LEU HD21 H 1 -0.0300 . . . . . . A 14 LEU HD21 . 19694 1 132 . 1 1 14 14 LEU HD22 H 1 -0.0300 . . . . . . A 14 LEU HD22 . 19694 1 133 . 1 1 14 14 LEU HD23 H 1 -0.0300 . . . . . . A 14 LEU HD23 . 19694 1 134 . 1 1 14 14 LEU CA C 13 54.1000 . . . . . . A 14 LEU CA . 19694 1 135 . 1 1 14 14 LEU CB C 13 42.2000 . . . . . . A 14 LEU CB . 19694 1 136 . 1 1 14 14 LEU CG C 13 26.4200 . . . . . . A 14 LEU CG . 19694 1 137 . 1 1 14 14 LEU CD1 C 13 22.9600 . . . . . . A 14 LEU CD1 . 19694 1 138 . 1 1 14 14 LEU CD2 C 13 25.7600 . . . . . . A 14 LEU CD2 . 19694 1 139 . 1 1 14 14 LEU N N 15 126.0600 . . . . . . A 14 LEU N . 19694 1 140 . 1 1 15 15 PHE H H 1 7.8200 . . . . . . A 15 PHE H . 19694 1 141 . 1 1 15 15 PHE HA H 1 4.4800 . . . . . . A 15 PHE HA . 19694 1 142 . 1 1 15 15 PHE HB2 H 1 3.0500 . . . . . . A 15 PHE HB2 . 19694 1 143 . 1 1 15 15 PHE HB3 H 1 3.0000 . . . . . . A 15 PHE HB3 . 19694 1 144 . 1 1 15 15 PHE HD1 H 1 7.3000 . . . . . . A 15 PHE HD1 . 19694 1 145 . 1 1 15 15 PHE HE1 H 1 6.8700 . . . . . . A 15 PHE HE1 . 19694 1 146 . 1 1 15 15 PHE HE2 H 1 6.8700 . . . . . . A 15 PHE HE2 . 19694 1 147 . 1 1 15 15 PHE HZ H 1 6.7400 . . . . . . A 15 PHE HZ . 19694 1 148 . 1 1 15 15 PHE CA C 13 60.4000 . . . . . . A 15 PHE CA . 19694 1 149 . 1 1 15 15 PHE CB C 13 38.1300 . . . . . . A 15 PHE CB . 19694 1 150 . 1 1 15 15 PHE CD1 C 13 131.3000 . . . . . . A 15 PHE CD1 . 19694 1 151 . 1 1 15 15 PHE CD2 C 13 131.3000 . . . . . . A 15 PHE CD2 . 19694 1 152 . 1 1 15 15 PHE N N 15 120.6600 . . . . . . A 15 PHE N . 19694 1 153 . 1 1 16 16 GLY H H 1 8.8600 . . . . . . A 16 GLY H . 19694 1 154 . 1 1 16 16 GLY HA2 H 1 3.6600 . . . . . . A 16 GLY HA2 . 19694 1 155 . 1 1 16 16 GLY HA3 H 1 3.9600 . . . . . . A 16 GLY HA3 . 19694 1 156 . 1 1 16 16 GLY CA C 13 45.9000 . . . . . . A 16 GLY CA . 19694 1 157 . 1 1 16 16 GLY N N 15 114.7300 . . . . . . A 16 GLY N . 19694 1 158 . 1 1 17 17 LYS H H 1 8.0300 . . . . . . A 17 LYS H . 19694 1 159 . 1 1 17 17 LYS HA H 1 4.4800 . . . . . . A 17 LYS HA . 19694 1 160 . 1 1 17 17 LYS HB2 H 1 2.0000 . . . . . . A 17 LYS HB2 . 19694 1 161 . 1 1 17 17 LYS HB3 H 1 1.6800 . . . . . . A 17 LYS HB3 . 19694 1 162 . 1 1 17 17 LYS HG2 H 1 1.2900 . . . . . . A 17 LYS HG2 . 19694 1 163 . 1 1 17 17 LYS HG3 H 1 1.4300 . . . . . . A 17 LYS HG3 . 19694 1 164 . 1 1 17 17 LYS CA C 13 54.4600 . . . . . . A 17 LYS CA . 19694 1 165 . 1 1 17 17 LYS CB C 13 35.8000 . . . . . . A 17 LYS CB . 19694 1 166 . 1 1 17 17 LYS CG C 13 24.6800 . . . . . . A 17 LYS CG . 19694 1 167 . 1 1 17 17 LYS N N 15 119.5800 . . . . . . A 17 LYS N . 19694 1 168 . 1 1 18 18 LYS H H 1 8.1900 . . . . . . A 18 LYS H . 19694 1 169 . 1 1 18 18 LYS HA H 1 4.2800 . . . . . . A 18 LYS HA . 19694 1 170 . 1 1 18 18 LYS HB2 H 1 1.6900 . . . . . . A 18 LYS HB2 . 19694 1 171 . 1 1 18 18 LYS HG2 H 1 1.2000 . . . . . . A 18 LYS HG2 . 19694 1 172 . 1 1 18 18 LYS HG3 H 1 1.4000 . . . . . . A 18 LYS HG3 . 19694 1 173 . 1 1 18 18 LYS HD2 H 1 1.6000 . . . . . . A 18 LYS HD2 . 19694 1 174 . 1 1 18 18 LYS HE2 H 1 2.7900 . . . . . . A 18 LYS HE2 . 19694 1 175 . 1 1 18 18 LYS CA C 13 56.8000 . . . . . . A 18 LYS CA . 19694 1 176 . 1 1 18 18 LYS CB C 13 33.0100 . . . . . . A 18 LYS CB . 19694 1 177 . 1 1 18 18 LYS CG C 13 25.5100 . . . . . . A 18 LYS CG . 19694 1 178 . 1 1 18 18 LYS CD C 13 29.3100 . . . . . . A 18 LYS CD . 19694 1 179 . 1 1 18 18 LYS CE C 13 42.3100 . . . . . . A 18 LYS CE . 19694 1 180 . 1 1 18 18 LYS N N 15 120.3300 . . . . . . A 18 LYS N . 19694 1 181 . 1 1 19 19 TYR H H 1 7.6100 . . . . . . A 19 TYR H . 19694 1 182 . 1 1 19 19 TYR HA H 1 5.2400 . . . . . . A 19 TYR HA . 19694 1 183 . 1 1 19 19 TYR HB2 H 1 2.8000 . . . . . . A 19 TYR HB2 . 19694 1 184 . 1 1 19 19 TYR HD1 H 1 6.8900 . . . . . . A 19 TYR HD1 . 19694 1 185 . 1 1 19 19 TYR HD2 H 1 6.8900 . . . . . . A 19 TYR HD2 . 19694 1 186 . 1 1 19 19 TYR HE1 H 1 6.6400 . . . . . . A 19 TYR HE1 . 19694 1 187 . 1 1 19 19 TYR HE2 H 1 6.6400 . . . . . . A 19 TYR HE2 . 19694 1 188 . 1 1 19 19 TYR CA C 13 55.3400 . . . . . . A 19 TYR CA . 19694 1 189 . 1 1 19 19 TYR CB C 13 42.8500 . . . . . . A 19 TYR CB . 19694 1 190 . 1 1 19 19 TYR CD1 C 13 132.8200 . . . . . . A 19 TYR CD1 . 19694 1 191 . 1 1 19 19 TYR CD2 C 13 132.8200 . . . . . . A 19 TYR CD2 . 19694 1 192 . 1 1 19 19 TYR CE1 C 13 118.4600 . . . . . . A 19 TYR CE1 . 19694 1 193 . 1 1 19 19 TYR CE2 C 13 118.4600 . . . . . . A 19 TYR CE2 . 19694 1 194 . 1 1 19 19 TYR N N 15 117.5000 . . . . . . A 19 TYR N . 19694 1 195 . 1 1 20 20 ILE H H 1 9.3500 . . . . . . A 20 ILE H . 19694 1 196 . 1 1 20 20 ILE HA H 1 4.1370 . . . . . . A 20 ILE HA . 19694 1 197 . 1 1 20 20 ILE HB H 1 1.2400 . . . . . . A 20 ILE HB . 19694 1 198 . 1 1 20 20 ILE HG12 H 1 0.7500 . . . . . . A 20 ILE HG12 . 19694 1 199 . 1 1 20 20 ILE HG13 H 1 1.0000 . . . . . . A 20 ILE HG13 . 19694 1 200 . 1 1 20 20 ILE HG21 H 1 0.2000 . . . . . . A 20 ILE HG21 . 19694 1 201 . 1 1 20 20 ILE HG22 H 1 0.2000 . . . . . . A 20 ILE HG22 . 19694 1 202 . 1 1 20 20 ILE HG23 H 1 0.2000 . . . . . . A 20 ILE HG23 . 19694 1 203 . 1 1 20 20 ILE HD11 H 1 0.4650 . . . . . . A 20 ILE HD11 . 19694 1 204 . 1 1 20 20 ILE HD12 H 1 0.4650 . . . . . . A 20 ILE HD12 . 19694 1 205 . 1 1 20 20 ILE HD13 H 1 0.4650 . . . . . . A 20 ILE HD13 . 19694 1 206 . 1 1 20 20 ILE CA C 13 60.0100 . . . . . . A 20 ILE CA . 19694 1 207 . 1 1 20 20 ILE CB C 13 41.5700 . . . . . . A 20 ILE CB . 19694 1 208 . 1 1 20 20 ILE CG1 C 13 28.1800 . . . . . . A 20 ILE CG1 . 19694 1 209 . 1 1 20 20 ILE CG2 C 13 18.6800 . . . . . . A 20 ILE CG2 . 19694 1 210 . 1 1 20 20 ILE CD1 C 13 13.6000 . . . . . . A 20 ILE CD1 . 19694 1 211 . 1 1 20 20 ILE N N 15 121.4300 . . . . . . A 20 ILE N . 19694 1 212 . 1 1 21 21 LEU H H 1 8.5300 . . . . . . A 21 LEU H . 19694 1 213 . 1 1 21 21 LEU HA H 1 5.0900 . . . . . . A 21 LEU HA . 19694 1 214 . 1 1 21 21 LEU HB2 H 1 1.3400 . . . . . . A 21 LEU HB2 . 19694 1 215 . 1 1 21 21 LEU HB3 H 1 1.6700 . . . . . . A 21 LEU HB3 . 19694 1 216 . 1 1 21 21 LEU HG H 1 1.5800 . . . . . . A 21 LEU HG . 19694 1 217 . 1 1 21 21 LEU HD11 H 1 0.7300 . . . . . . A 21 LEU HD11 . 19694 1 218 . 1 1 21 21 LEU HD12 H 1 0.7300 . . . . . . A 21 LEU HD12 . 19694 1 219 . 1 1 21 21 LEU HD13 H 1 0.7300 . . . . . . A 21 LEU HD13 . 19694 1 220 . 1 1 21 21 LEU HD21 H 1 0.8900 . . . . . . A 21 LEU HD21 . 19694 1 221 . 1 1 21 21 LEU HD22 H 1 0.8900 . . . . . . A 21 LEU HD22 . 19694 1 222 . 1 1 21 21 LEU HD23 H 1 0.8900 . . . . . . A 21 LEU HD23 . 19694 1 223 . 1 1 21 21 LEU CA C 13 54.0200 . . . . . . A 21 LEU CA . 19694 1 224 . 1 1 21 21 LEU CB C 13 43.7200 . . . . . . A 21 LEU CB . 19694 1 225 . 1 1 21 21 LEU CG C 13 27.4900 . . . . . . A 21 LEU CG . 19694 1 226 . 1 1 21 21 LEU CD1 C 13 23.5200 . . . . . . A 21 LEU CD1 . 19694 1 227 . 1 1 21 21 LEU CD2 C 13 25.1000 . . . . . . A 21 LEU CD2 . 19694 1 228 . 1 1 21 21 LEU N N 15 126.7200 . . . . . . A 21 LEU N . 19694 1 229 . 1 1 22 22 ARG H H 1 9.0800 . . . . . . A 22 ARG H . 19694 1 230 . 1 1 22 22 ARG HA H 1 4.4400 . . . . . . A 22 ARG HA . 19694 1 231 . 1 1 22 22 ARG HB2 H 1 1.6800 . . . . . . A 22 ARG HB2 . 19694 1 232 . 1 1 22 22 ARG HB3 H 1 1.3800 . . . . . . A 22 ARG HB3 . 19694 1 233 . 1 1 22 22 ARG HG2 H 1 1.0500 . . . . . . A 22 ARG HG2 . 19694 1 234 . 1 1 22 22 ARG HG3 H 1 0.8300 . . . . . . A 22 ARG HG3 . 19694 1 235 . 1 1 22 22 ARG HD2 H 1 2.1450 . . . . . . A 22 ARG HD2 . 19694 1 236 . 1 1 22 22 ARG HD3 H 1 2.3800 . . . . . . A 22 ARG HD3 . 19694 1 237 . 1 1 22 22 ARG HE H 1 6.2000 . . . . . . A 22 ARG HE . 19694 1 238 . 1 1 22 22 ARG CA C 13 55.6000 . . . . . . A 22 ARG CA . 19694 1 239 . 1 1 22 22 ARG CB C 13 32.2800 . . . . . . A 22 ARG CB . 19694 1 240 . 1 1 22 22 ARG CG C 13 26.9500 . . . . . . A 22 ARG CG . 19694 1 241 . 1 1 22 22 ARG CD C 13 42.6000 . . . . . . A 22 ARG CD . 19694 1 242 . 1 1 22 22 ARG N N 15 123.9300 . . . . . . A 22 ARG N . 19694 1 243 . 1 1 23 23 GLU H H 1 9.6100 . . . . . . A 23 GLU H . 19694 1 244 . 1 1 23 23 GLU HA H 1 3.8400 . . . . . . A 23 GLU HA . 19694 1 245 . 1 1 23 23 GLU HB2 H 1 2.0500 . . . . . . A 23 GLU HB2 . 19694 1 246 . 1 1 23 23 GLU HB3 H 1 2.1600 . . . . . . A 23 GLU HB3 . 19694 1 247 . 1 1 23 23 GLU HG2 H 1 2.1600 . . . . . . A 23 GLU HG2 . 19694 1 248 . 1 1 23 23 GLU CA C 13 58.0300 . . . . . . A 23 GLU CA . 19694 1 249 . 1 1 23 23 GLU CB C 13 27.2000 . . . . . . A 23 GLU CB . 19694 1 250 . 1 1 23 23 GLU CG C 13 36.5000 . . . . . . A 23 GLU CG . 19694 1 251 . 1 1 23 23 GLU N N 15 128.5000 . . . . . . A 23 GLU N . 19694 1 252 . 1 1 24 24 GLU H H 1 8.6600 . . . . . . A 24 GLU H . 19694 1 253 . 1 1 24 24 GLU HA H 1 3.7800 . . . . . . A 24 GLU HA . 19694 1 254 . 1 1 24 24 GLU HB2 H 1 2.2000 . . . . . . A 24 GLU HB2 . 19694 1 255 . 1 1 24 24 GLU HG2 H 1 2.1600 . . . . . . A 24 GLU HG2 . 19694 1 256 . 1 1 24 24 GLU CA C 13 58.3200 . . . . . . A 24 GLU CA . 19694 1 257 . 1 1 24 24 GLU CB C 13 28.2200 . . . . . . A 24 GLU CB . 19694 1 258 . 1 1 24 24 GLU CG C 13 36.9800 . . . . . . A 24 GLU CG . 19694 1 259 . 1 1 24 24 GLU N N 15 110.3000 . . . . . . A 24 GLU N . 19694 1 260 . 1 1 25 25 SER H H 1 7.9000 . . . . . . A 25 SER H . 19694 1 261 . 1 1 25 25 SER HA H 1 4.8900 . . . . . . A 25 SER HA . 19694 1 262 . 1 1 25 25 SER HB2 H 1 3.0800 . . . . . . A 25 SER HB2 . 19694 1 263 . 1 1 25 25 SER HB3 H 1 3.6400 . . . . . . A 25 SER HB3 . 19694 1 264 . 1 1 25 25 SER CA C 13 56.5400 . . . . . . A 25 SER CA . 19694 1 265 . 1 1 25 25 SER CB C 13 64.7200 . . . . . . A 25 SER CB . 19694 1 266 . 1 1 25 25 SER N N 15 117.7000 . . . . . . A 25 SER N . 19694 1 267 . 1 1 26 26 PRO HA H 1 4.9950 . . . . . . A 26 PRO HA . 19694 1 268 . 1 1 26 26 PRO HB2 H 1 1.2000 . . . . . . A 26 PRO HB2 . 19694 1 269 . 1 1 26 26 PRO HB3 H 1 1.4500 . . . . . . A 26 PRO HB3 . 19694 1 270 . 1 1 26 26 PRO HG2 H 1 2.1500 . . . . . . A 26 PRO HG2 . 19694 1 271 . 1 1 26 26 PRO HG3 H 1 1.4700 . . . . . . A 26 PRO HG3 . 19694 1 272 . 1 1 26 26 PRO HD2 H 1 3.5900 . . . . . . A 26 PRO HD2 . 19694 1 273 . 1 1 26 26 PRO HD3 H 1 3.4900 . . . . . . A 26 PRO HD3 . 19694 1 274 . 1 1 26 26 PRO CA C 13 61.7500 . . . . . . A 26 PRO CA . 19694 1 275 . 1 1 26 26 PRO CB C 13 32.6600 . . . . . . A 26 PRO CB . 19694 1 276 . 1 1 26 26 PRO CG C 13 25.9700 . . . . . . A 26 PRO CG . 19694 1 277 . 1 1 26 26 PRO CD C 13 50.2400 . . . . . . A 26 PRO CD . 19694 1 278 . 1 1 27 27 TYR H H 1 9.0400 . . . . . . A 27 TYR H . 19694 1 279 . 1 1 27 27 TYR HA H 1 5.9100 . . . . . . A 27 TYR HA . 19694 1 280 . 1 1 27 27 TYR HB2 H 1 3.3600 . . . . . . A 27 TYR HB2 . 19694 1 281 . 1 1 27 27 TYR HD1 H 1 7.3000 . . . . . . A 27 TYR HD1 . 19694 1 282 . 1 1 27 27 TYR HD2 H 1 7.3000 . . . . . . A 27 TYR HD2 . 19694 1 283 . 1 1 27 27 TYR HE1 H 1 6.8600 . . . . . . A 27 TYR HE1 . 19694 1 284 . 1 1 27 27 TYR HE2 H 1 6.8600 . . . . . . A 27 TYR HE2 . 19694 1 285 . 1 1 27 27 TYR CA C 13 56.8300 . . . . . . A 27 TYR CA . 19694 1 286 . 1 1 27 27 TYR CB C 13 42.8100 . . . . . . A 27 TYR CB . 19694 1 287 . 1 1 27 27 TYR CD1 C 13 133.6000 . . . . . . A 27 TYR CD1 . 19694 1 288 . 1 1 27 27 TYR CD2 C 13 133.6000 . . . . . . A 27 TYR CD2 . 19694 1 289 . 1 1 27 27 TYR CE1 C 13 118.6100 . . . . . . A 27 TYR CE1 . 19694 1 290 . 1 1 27 27 TYR CE2 C 13 118.6100 . . . . . . A 27 TYR CE2 . 19694 1 291 . 1 1 27 27 TYR N N 15 118.1000 . . . . . . A 27 TYR N . 19694 1 292 . 1 1 28 28 CYS H H 1 9.8500 . . . . . . A 28 CYS H . 19694 1 293 . 1 1 28 28 CYS HA H 1 4.8500 . . . . . . A 28 CYS HA . 19694 1 294 . 1 1 28 28 CYS HB2 H 1 3.0100 . . . . . . A 28 CYS HB2 . 19694 1 295 . 1 1 28 28 CYS HB3 H 1 3.5850 . . . . . . A 28 CYS HB3 . 19694 1 296 . 1 1 28 28 CYS CA C 13 58.1100 . . . . . . A 28 CYS CA . 19694 1 297 . 1 1 28 28 CYS CB C 13 30.5300 . . . . . . A 28 CYS CB . 19694 1 298 . 1 1 28 28 CYS N N 15 122.2300 . . . . . . A 28 CYS N . 19694 1 299 . 1 1 29 29 VAL H H 1 8.4300 . . . . . . A 29 VAL H . 19694 1 300 . 1 1 29 29 VAL HA H 1 3.6500 . . . . . . A 29 VAL HA . 19694 1 301 . 1 1 29 29 VAL HB H 1 2.0700 . . . . . . A 29 VAL HB . 19694 1 302 . 1 1 29 29 VAL HG11 H 1 0.9500 . . . . . . A 29 VAL HG11 . 19694 1 303 . 1 1 29 29 VAL HG12 H 1 0.9500 . . . . . . A 29 VAL HG12 . 19694 1 304 . 1 1 29 29 VAL HG13 H 1 0.9500 . . . . . . A 29 VAL HG13 . 19694 1 305 . 1 1 29 29 VAL HG21 H 1 0.9500 . . . . . . A 29 VAL HG21 . 19694 1 306 . 1 1 29 29 VAL HG22 H 1 0.9500 . . . . . . A 29 VAL HG22 . 19694 1 307 . 1 1 29 29 VAL HG23 H 1 0.9500 . . . . . . A 29 VAL HG23 . 19694 1 308 . 1 1 29 29 VAL CA C 13 67.4000 . . . . . . A 29 VAL CA . 19694 1 309 . 1 1 29 29 VAL CB C 13 31.8600 . . . . . . A 29 VAL CB . 19694 1 310 . 1 1 29 29 VAL CG1 C 13 21.4000 . . . . . . A 29 VAL CG1 . 19694 1 311 . 1 1 29 29 VAL CG2 C 13 21.4000 . . . . . . A 29 VAL CG2 . 19694 1 312 . 1 1 29 29 VAL N N 15 118.2000 . . . . . . A 29 VAL N . 19694 1 313 . 1 1 30 30 VAL H H 1 7.7000 . . . . . . A 30 VAL H . 19694 1 314 . 1 1 30 30 VAL HA H 1 3.8600 . . . . . . A 30 VAL HA . 19694 1 315 . 1 1 30 30 VAL HB H 1 2.2600 . . . . . . A 30 VAL HB . 19694 1 316 . 1 1 30 30 VAL HG11 H 1 0.9600 . . . . . . A 30 VAL HG11 . 19694 1 317 . 1 1 30 30 VAL HG12 H 1 0.9600 . . . . . . A 30 VAL HG12 . 19694 1 318 . 1 1 30 30 VAL HG13 H 1 0.9600 . . . . . . A 30 VAL HG13 . 19694 1 319 . 1 1 30 30 VAL HG21 H 1 1.0800 . . . . . . A 30 VAL HG21 . 19694 1 320 . 1 1 30 30 VAL HG22 H 1 1.0800 . . . . . . A 30 VAL HG22 . 19694 1 321 . 1 1 30 30 VAL HG23 H 1 1.0800 . . . . . . A 30 VAL HG23 . 19694 1 322 . 1 1 30 30 VAL CA C 13 66.4500 . . . . . . A 30 VAL CA . 19694 1 323 . 1 1 30 30 VAL CB C 13 31.5400 . . . . . . A 30 VAL CB . 19694 1 324 . 1 1 30 30 VAL CG1 C 13 21.2700 . . . . . . A 30 VAL CG1 . 19694 1 325 . 1 1 30 30 VAL CG2 C 13 22.7100 . . . . . . A 30 VAL CG2 . 19694 1 326 . 1 1 30 30 VAL N N 15 119.5700 . . . . . . A 30 VAL N . 19694 1 327 . 1 1 31 31 CYS H H 1 9.0500 . . . . . . A 31 CYS H . 19694 1 328 . 1 1 31 31 CYS HA H 1 3.8300 . . . . . . A 31 CYS HA . 19694 1 329 . 1 1 31 31 CYS HB2 H 1 3.3200 . . . . . . A 31 CYS HB2 . 19694 1 330 . 1 1 31 31 CYS HB3 H 1 2.8800 . . . . . . A 31 CYS HB3 . 19694 1 331 . 1 1 31 31 CYS CA C 13 65.8500 . . . . . . A 31 CYS CA . 19694 1 332 . 1 1 31 31 CYS CB C 13 29.5100 . . . . . . A 31 CYS CB . 19694 1 333 . 1 1 31 31 CYS N N 15 125.8900 . . . . . . A 31 CYS N . 19694 1 334 . 1 1 32 32 PHE H H 1 9.0800 . . . . . . A 32 PHE H . 19694 1 335 . 1 1 32 32 PHE HA H 1 3.7800 . . . . . . A 32 PHE HA . 19694 1 336 . 1 1 32 32 PHE HB2 H 1 3.2300 . . . . . . A 32 PHE HB2 . 19694 1 337 . 1 1 32 32 PHE HB3 H 1 3.1000 . . . . . . A 32 PHE HB3 . 19694 1 338 . 1 1 32 32 PHE HD2 H 1 6.8900 . . . . . . A 32 PHE HD2 . 19694 1 339 . 1 1 32 32 PHE HE1 H 1 7.1100 . . . . . . A 32 PHE HE1 . 19694 1 340 . 1 1 32 32 PHE HE2 H 1 7.1100 . . . . . . A 32 PHE HE2 . 19694 1 341 . 1 1 32 32 PHE HZ H 1 6.7600 . . . . . . A 32 PHE HZ . 19694 1 342 . 1 1 32 32 PHE CA C 13 62.6100 . . . . . . A 32 PHE CA . 19694 1 343 . 1 1 32 32 PHE CB C 13 39.9200 . . . . . . A 32 PHE CB . 19694 1 344 . 1 1 32 32 PHE CD1 C 13 131.2100 . . . . . . A 32 PHE CD1 . 19694 1 345 . 1 1 32 32 PHE CD2 C 13 131.2100 . . . . . . A 32 PHE CD2 . 19694 1 346 . 1 1 32 32 PHE N N 15 119.0000 . . . . . . A 32 PHE N . 19694 1 347 . 1 1 33 33 GLU H H 1 8.5100 . . . . . . A 33 GLU H . 19694 1 348 . 1 1 33 33 GLU HA H 1 3.7600 . . . . . . A 33 GLU HA . 19694 1 349 . 1 1 33 33 GLU HB2 H 1 2.2200 . . . . . . A 33 GLU HB2 . 19694 1 350 . 1 1 33 33 GLU HB3 H 1 1.9100 . . . . . . A 33 GLU HB3 . 19694 1 351 . 1 1 33 33 GLU HG2 H 1 2.8500 . . . . . . A 33 GLU HG2 . 19694 1 352 . 1 1 33 33 GLU HG3 H 1 2.1900 . . . . . . A 33 GLU HG3 . 19694 1 353 . 1 1 33 33 GLU CA C 13 59.2100 . . . . . . A 33 GLU CA . 19694 1 354 . 1 1 33 33 GLU CB C 13 29.4800 . . . . . . A 33 GLU CB . 19694 1 355 . 1 1 33 33 GLU CG C 13 37.9200 . . . . . . A 33 GLU CG . 19694 1 356 . 1 1 33 33 GLU N N 15 117.4700 . . . . . . A 33 GLU N . 19694 1 357 . 1 1 34 34 THR H H 1 7.8800 . . . . . . A 34 THR H . 19694 1 358 . 1 1 34 34 THR HA H 1 3.7300 . . . . . . A 34 THR HA . 19694 1 359 . 1 1 34 34 THR HB H 1 4.0500 . . . . . . A 34 THR HB . 19694 1 360 . 1 1 34 34 THR HG21 H 1 1.0400 . . . . . . A 34 THR HG21 . 19694 1 361 . 1 1 34 34 THR HG22 H 1 1.0400 . . . . . . A 34 THR HG22 . 19694 1 362 . 1 1 34 34 THR HG23 H 1 1.0400 . . . . . . A 34 THR HG23 . 19694 1 363 . 1 1 34 34 THR CA C 13 65.8900 . . . . . . A 34 THR CA . 19694 1 364 . 1 1 34 34 THR CB C 13 69.2100 . . . . . . A 34 THR CB . 19694 1 365 . 1 1 34 34 THR CG2 C 13 21.1500 . . . . . . A 34 THR CG2 . 19694 1 366 . 1 1 34 34 THR N N 15 114.1400 . . . . . . A 34 THR N . 19694 1 367 . 1 1 35 35 LEU H H 1 7.6600 . . . . . . A 35 LEU H . 19694 1 368 . 1 1 35 35 LEU HA H 1 3.6500 . . . . . . A 35 LEU HA . 19694 1 369 . 1 1 35 35 LEU HB2 H 1 -0.4400 . . . . . . A 35 LEU HB2 . 19694 1 370 . 1 1 35 35 LEU HB3 H 1 0.3570 . . . . . . A 35 LEU HB3 . 19694 1 371 . 1 1 35 35 LEU HG H 1 1.0250 . . . . . . A 35 LEU HG . 19694 1 372 . 1 1 35 35 LEU HD11 H 1 0.0050 . . . . . . A 35 LEU HD11 . 19694 1 373 . 1 1 35 35 LEU HD12 H 1 0.0050 . . . . . . A 35 LEU HD12 . 19694 1 374 . 1 1 35 35 LEU HD13 H 1 0.0050 . . . . . . A 35 LEU HD13 . 19694 1 375 . 1 1 35 35 LEU HD21 H 1 0.1820 . . . . . . A 35 LEU HD21 . 19694 1 376 . 1 1 35 35 LEU HD22 H 1 0.1820 . . . . . . A 35 LEU HD22 . 19694 1 377 . 1 1 35 35 LEU HD23 H 1 0.1820 . . . . . . A 35 LEU HD23 . 19694 1 378 . 1 1 35 35 LEU CA C 13 56.8600 . . . . . . A 35 LEU CA . 19694 1 379 . 1 1 35 35 LEU CB C 13 41.8700 . . . . . . A 35 LEU CB . 19694 1 380 . 1 1 35 35 LEU CG C 13 26.5400 . . . . . . A 35 LEU CG . 19694 1 381 . 1 1 35 35 LEU CD1 C 13 24.7000 . . . . . . A 35 LEU CD1 . 19694 1 382 . 1 1 35 35 LEU CD2 C 13 21.6800 . . . . . . A 35 LEU CD2 . 19694 1 383 . 1 1 35 35 LEU N N 15 117.9800 . . . . . . A 35 LEU N . 19694 1 384 . 1 1 36 36 PHE H H 1 7.7300 . . . . . . A 36 PHE H . 19694 1 385 . 1 1 36 36 PHE HA H 1 4.5970 . . . . . . A 36 PHE HA . 19694 1 386 . 1 1 36 36 PHE HB2 H 1 1.4780 . . . . . . A 36 PHE HB2 . 19694 1 387 . 1 1 36 36 PHE HB3 H 1 2.6800 . . . . . . A 36 PHE HB3 . 19694 1 388 . 1 1 36 36 PHE HD1 H 1 6.5300 . . . . . . A 36 PHE HD1 . 19694 1 389 . 1 1 36 36 PHE HE1 H 1 6.2600 . . . . . . A 36 PHE HE1 . 19694 1 390 . 1 1 36 36 PHE HE2 H 1 6.2600 . . . . . . A 36 PHE HE2 . 19694 1 391 . 1 1 36 36 PHE HZ H 1 6.7600 . . . . . . A 36 PHE HZ . 19694 1 392 . 1 1 36 36 PHE CA C 13 56.8600 . . . . . . A 36 PHE CA . 19694 1 393 . 1 1 36 36 PHE CB C 13 40.5700 . . . . . . A 36 PHE CB . 19694 1 394 . 1 1 36 36 PHE CD1 C 13 131.2100 . . . . . . A 36 PHE CD1 . 19694 1 395 . 1 1 36 36 PHE CD2 C 13 131.2100 . . . . . . A 36 PHE CD2 . 19694 1 396 . 1 1 36 36 PHE N N 15 113.9000 . . . . . . A 36 PHE N . 19694 1 397 . 1 1 37 37 ALA H H 1 7.0900 . . . . . . A 37 ALA H . 19694 1 398 . 1 1 37 37 ALA HA H 1 4.0700 . . . . . . A 37 ALA HA . 19694 1 399 . 1 1 37 37 ALA HB1 H 1 1.3200 . . . . . . A 37 ALA HB1 . 19694 1 400 . 1 1 37 37 ALA HB2 H 1 1.3200 . . . . . . A 37 ALA HB2 . 19694 1 401 . 1 1 37 37 ALA HB3 H 1 1.3200 . . . . . . A 37 ALA HB3 . 19694 1 402 . 1 1 37 37 ALA CA C 13 52.9000 . . . . . . A 37 ALA CA . 19694 1 403 . 1 1 37 37 ALA CB C 13 19.7700 . . . . . . A 37 ALA CB . 19694 1 404 . 1 1 37 37 ALA N N 15 121.9200 . . . . . . A 37 ALA N . 19694 1 405 . 1 1 38 38 ASN H H 1 8.7900 . . . . . . A 38 ASN H . 19694 1 406 . 1 1 38 38 ASN HA H 1 4.4500 . . . . . . A 38 ASN HA . 19694 1 407 . 1 1 38 38 ASN HB2 H 1 2.1000 . . . . . . A 38 ASN HB2 . 19694 1 408 . 1 1 38 38 ASN HB3 H 1 2.0560 . . . . . . A 38 ASN HB3 . 19694 1 409 . 1 1 38 38 ASN HD21 H 1 7.6300 . . . . . . A 38 ASN HD21 . 19694 1 410 . 1 1 38 38 ASN HD22 H 1 6.5700 . . . . . . A 38 ASN HD22 . 19694 1 411 . 1 1 38 38 ASN CA C 13 52.8500 . . . . . . A 38 ASN CA . 19694 1 412 . 1 1 38 38 ASN CB C 13 38.9500 . . . . . . A 38 ASN CB . 19694 1 413 . 1 1 38 38 ASN N N 15 119.2300 . . . . . . A 38 ASN N . 19694 1 414 . 1 1 38 38 ASN ND2 N 15 113.4000 . . . . . . A 38 ASN ND2 . 19694 1 415 . 1 1 39 39 THR H H 1 8.5400 . . . . . . A 39 THR H . 19694 1 416 . 1 1 39 39 THR HA H 1 3.9900 . . . . . . A 39 THR HA . 19694 1 417 . 1 1 39 39 THR HB H 1 3.6300 . . . . . . A 39 THR HB . 19694 1 418 . 1 1 39 39 THR HG21 H 1 0.8040 . . . . . . A 39 THR HG21 . 19694 1 419 . 1 1 39 39 THR HG22 H 1 0.8040 . . . . . . A 39 THR HG22 . 19694 1 420 . 1 1 39 39 THR HG23 H 1 0.8040 . . . . . . A 39 THR HG23 . 19694 1 421 . 1 1 39 39 THR CA C 13 62.1300 . . . . . . A 39 THR CA . 19694 1 422 . 1 1 39 39 THR CB C 13 69.9200 . . . . . . A 39 THR CB . 19694 1 423 . 1 1 39 39 THR CG2 C 13 21.6600 . . . . . . A 39 THR CG2 . 19694 1 424 . 1 1 39 39 THR N N 15 116.3300 . . . . . . A 39 THR N . 19694 1 425 . 1 1 40 40 CYS H H 1 7.9400 . . . . . . A 40 CYS H . 19694 1 426 . 1 1 40 40 CYS HA H 1 4.3000 . . . . . . A 40 CYS HA . 19694 1 427 . 1 1 40 40 CYS HB2 H 1 3.4100 . . . . . . A 40 CYS HB2 . 19694 1 428 . 1 1 40 40 CYS HB3 H 1 2.1890 . . . . . . A 40 CYS HB3 . 19694 1 429 . 1 1 40 40 CYS CA C 13 58.3500 . . . . . . A 40 CYS CA . 19694 1 430 . 1 1 40 40 CYS CB C 13 31.6000 . . . . . . A 40 CYS CB . 19694 1 431 . 1 1 40 40 CYS N N 15 126.9500 . . . . . . A 40 CYS N . 19694 1 432 . 1 1 41 41 GLU H H 1 8.8100 . . . . . . A 41 GLU H . 19694 1 433 . 1 1 41 41 GLU HA H 1 3.6900 . . . . . . A 41 GLU HA . 19694 1 434 . 1 1 41 41 GLU HB2 H 1 1.3400 . . . . . . A 41 GLU HB2 . 19694 1 435 . 1 1 41 41 GLU HB3 H 1 1.0800 . . . . . . A 41 GLU HB3 . 19694 1 436 . 1 1 41 41 GLU HG2 H 1 2.0500 . . . . . . A 41 GLU HG2 . 19694 1 437 . 1 1 41 41 GLU HG3 H 1 1.6900 . . . . . . A 41 GLU HG3 . 19694 1 438 . 1 1 41 41 GLU CA C 13 58.6000 . . . . . . A 41 GLU CA . 19694 1 439 . 1 1 41 41 GLU CB C 13 30.4600 . . . . . . A 41 GLU CB . 19694 1 440 . 1 1 41 41 GLU CG C 13 36.3000 . . . . . . A 41 GLU CG . 19694 1 441 . 1 1 41 41 GLU N N 15 130.5600 . . . . . . A 41 GLU N . 19694 1 442 . 1 1 42 42 GLU H H 1 8.5000 . . . . . . A 42 GLU H . 19694 1 443 . 1 1 42 42 GLU HA H 1 4.5700 . . . . . . A 42 GLU HA . 19694 1 444 . 1 1 42 42 GLU HB2 H 1 2.3300 . . . . . . A 42 GLU HB2 . 19694 1 445 . 1 1 42 42 GLU HB3 H 1 2.5300 . . . . . . A 42 GLU HB3 . 19694 1 446 . 1 1 42 42 GLU HG2 H 1 2.6580 . . . . . . A 42 GLU HG2 . 19694 1 447 . 1 1 42 42 GLU HG3 H 1 3.0700 . . . . . . A 42 GLU HG3 . 19694 1 448 . 1 1 42 42 GLU CA C 13 58.0000 . . . . . . A 42 GLU CA . 19694 1 449 . 1 1 42 42 GLU CB C 13 31.6800 . . . . . . A 42 GLU CB . 19694 1 450 . 1 1 42 42 GLU CG C 13 38.6200 . . . . . . A 42 GLU CG . 19694 1 451 . 1 1 42 42 GLU N N 15 119.6800 . . . . . . A 42 GLU N . 19694 1 452 . 1 1 43 43 CYS H H 1 8.1200 . . . . . . A 43 CYS H . 19694 1 453 . 1 1 43 43 CYS HA H 1 5.0100 . . . . . . A 43 CYS HA . 19694 1 454 . 1 1 43 43 CYS HB2 H 1 3.0300 . . . . . . A 43 CYS HB2 . 19694 1 455 . 1 1 43 43 CYS HB3 H 1 3.3300 . . . . . . A 43 CYS HB3 . 19694 1 456 . 1 1 43 43 CYS CA C 13 58.8100 . . . . . . A 43 CYS CA . 19694 1 457 . 1 1 43 43 CYS CB C 13 31.5800 . . . . . . A 43 CYS CB . 19694 1 458 . 1 1 43 43 CYS N N 15 115.6000 . . . . . . A 43 CYS N . 19694 1 459 . 1 1 44 44 GLY H H 1 7.9000 . . . . . . A 44 GLY H . 19694 1 460 . 1 1 44 44 GLY HA2 H 1 4.0500 . . . . . . A 44 GLY HA2 . 19694 1 461 . 1 1 44 44 GLY HA3 H 1 3.8000 . . . . . . A 44 GLY HA3 . 19694 1 462 . 1 1 44 44 GLY CA C 13 46.4200 . . . . . . A 44 GLY CA . 19694 1 463 . 1 1 44 44 GLY N N 15 112.1000 . . . . . . A 44 GLY N . 19694 1 464 . 1 1 45 45 LYS H H 1 8.1800 . . . . . . A 45 LYS H . 19694 1 465 . 1 1 45 45 LYS HA H 1 4.8400 . . . . . . A 45 LYS HA . 19694 1 466 . 1 1 45 45 LYS HD2 H 1 1.4700 . . . . . . A 45 LYS HD2 . 19694 1 467 . 1 1 45 45 LYS CA C 13 54.3600 . . . . . . A 45 LYS CA . 19694 1 468 . 1 1 45 45 LYS CB C 13 32.4300 . . . . . . A 45 LYS CB . 19694 1 469 . 1 1 45 45 LYS CD C 13 29.2500 . . . . . . A 45 LYS CD . 19694 1 470 . 1 1 45 45 LYS N N 15 121.2100 . . . . . . A 45 LYS N . 19694 1 471 . 1 1 46 46 PRO HA H 1 4.4770 . . . . . . A 46 PRO HA . 19694 1 472 . 1 1 46 46 PRO HB2 H 1 1.5600 . . . . . . A 46 PRO HB2 . 19694 1 473 . 1 1 46 46 PRO HB3 H 1 2.1500 . . . . . . A 46 PRO HB3 . 19694 1 474 . 1 1 46 46 PRO HG2 H 1 2.0100 . . . . . . A 46 PRO HG2 . 19694 1 475 . 1 1 46 46 PRO HG3 H 1 1.9200 . . . . . . A 46 PRO HG3 . 19694 1 476 . 1 1 46 46 PRO HD2 H 1 3.8400 . . . . . . A 46 PRO HD2 . 19694 1 477 . 1 1 46 46 PRO HD3 H 1 3.6000 . . . . . . A 46 PRO HD3 . 19694 1 478 . 1 1 46 46 PRO CA C 13 62.7000 . . . . . . A 46 PRO CA . 19694 1 479 . 1 1 46 46 PRO CB C 13 32.4900 . . . . . . A 46 PRO CB . 19694 1 480 . 1 1 46 46 PRO CG C 13 27.6000 . . . . . . A 46 PRO CG . 19694 1 481 . 1 1 46 46 PRO CD C 13 50.5500 . . . . . . A 46 PRO CD . 19694 1 482 . 1 1 47 47 ILE H H 1 8.5400 . . . . . . A 47 ILE H . 19694 1 483 . 1 1 47 47 ILE HA H 1 3.8300 . . . . . . A 47 ILE HA . 19694 1 484 . 1 1 47 47 ILE HB H 1 1.4670 . . . . . . A 47 ILE HB . 19694 1 485 . 1 1 47 47 ILE HG12 H 1 -0.5200 . . . . . . A 47 ILE HG12 . 19694 1 486 . 1 1 47 47 ILE HG13 H 1 1.0000 . . . . . . A 47 ILE HG13 . 19694 1 487 . 1 1 47 47 ILE HG21 H 1 0.7660 . . . . . . A 47 ILE HG21 . 19694 1 488 . 1 1 47 47 ILE HG22 H 1 0.7660 . . . . . . A 47 ILE HG22 . 19694 1 489 . 1 1 47 47 ILE HG23 H 1 0.7660 . . . . . . A 47 ILE HG23 . 19694 1 490 . 1 1 47 47 ILE HD11 H 1 0.2000 . . . . . . A 47 ILE HD11 . 19694 1 491 . 1 1 47 47 ILE HD12 H 1 0.2000 . . . . . . A 47 ILE HD12 . 19694 1 492 . 1 1 47 47 ILE HD13 H 1 0.2000 . . . . . . A 47 ILE HD13 . 19694 1 493 . 1 1 47 47 ILE CA C 13 61.0400 . . . . . . A 47 ILE CA . 19694 1 494 . 1 1 47 47 ILE CB C 13 37.4400 . . . . . . A 47 ILE CB . 19694 1 495 . 1 1 47 47 ILE CG1 C 13 26.7200 . . . . . . A 47 ILE CG1 . 19694 1 496 . 1 1 47 47 ILE CG2 C 13 17.8900 . . . . . . A 47 ILE CG2 . 19694 1 497 . 1 1 47 47 ILE CD1 C 13 15.3400 . . . . . . A 47 ILE CD1 . 19694 1 498 . 1 1 47 47 ILE N N 15 125.2800 . . . . . . A 47 ILE N . 19694 1 499 . 1 1 48 48 GLY H H 1 8.6600 . . . . . . A 48 GLY H . 19694 1 500 . 1 1 48 48 GLY HA2 H 1 4.0700 . . . . . . A 48 GLY HA2 . 19694 1 501 . 1 1 48 48 GLY HA3 H 1 3.9800 . . . . . . A 48 GLY HA3 . 19694 1 502 . 1 1 48 48 GLY CA C 13 45.2400 . . . . . . A 48 GLY CA . 19694 1 503 . 1 1 48 48 GLY N N 15 114.1200 . . . . . . A 48 GLY N . 19694 1 504 . 1 1 49 49 CYS H H 1 9.2100 . . . . . . A 49 CYS H . 19694 1 505 . 1 1 49 49 CYS HA H 1 4.2800 . . . . . . A 49 CYS HA . 19694 1 506 . 1 1 49 49 CYS HB2 H 1 2.7600 . . . . . . A 49 CYS HB2 . 19694 1 507 . 1 1 49 49 CYS CA C 13 60.8800 . . . . . . A 49 CYS CA . 19694 1 508 . 1 1 49 49 CYS CB C 13 27.6500 . . . . . . A 49 CYS CB . 19694 1 509 . 1 1 49 49 CYS N N 15 117.1400 . . . . . . A 49 CYS N . 19694 1 510 . 1 1 50 50 ASP H H 1 8.8000 . . . . . . A 50 ASP H . 19694 1 511 . 1 1 50 50 ASP HA H 1 4.6200 . . . . . . A 50 ASP HA . 19694 1 512 . 1 1 50 50 ASP HB2 H 1 2.7200 . . . . . . A 50 ASP HB2 . 19694 1 513 . 1 1 50 50 ASP CA C 13 54.1600 . . . . . . A 50 ASP CA . 19694 1 514 . 1 1 50 50 ASP CB C 13 40.3800 . . . . . . A 50 ASP CB . 19694 1 515 . 1 1 50 50 ASP N N 15 119.3000 . . . . . . A 50 ASP N . 19694 1 516 . 1 1 51 51 CYS H H 1 7.5900 . . . . . . A 51 CYS H . 19694 1 517 . 1 1 51 51 CYS HA H 1 4.6200 . . . . . . A 51 CYS HA . 19694 1 518 . 1 1 51 51 CYS HB2 H 1 2.9900 . . . . . . A 51 CYS HB2 . 19694 1 519 . 1 1 51 51 CYS HB3 H 1 3.0500 . . . . . . A 51 CYS HB3 . 19694 1 520 . 1 1 51 51 CYS CA C 13 58.0300 . . . . . . A 51 CYS CA . 19694 1 521 . 1 1 51 51 CYS CB C 13 30.0900 . . . . . . A 51 CYS CB . 19694 1 522 . 1 1 51 51 CYS N N 15 118.1500 . . . . . . A 51 CYS N . 19694 1 523 . 1 1 52 52 LYS H H 1 8.6000 . . . . . . A 52 LYS H . 19694 1 524 . 1 1 52 52 LYS HA H 1 4.1800 . . . . . . A 52 LYS HA . 19694 1 525 . 1 1 52 52 LYS HB2 H 1 1.6800 . . . . . . A 52 LYS HB2 . 19694 1 526 . 1 1 52 52 LYS HG2 H 1 1.4500 . . . . . . A 52 LYS HG2 . 19694 1 527 . 1 1 52 52 LYS HG3 H 1 1.3200 . . . . . . A 52 LYS HG3 . 19694 1 528 . 1 1 52 52 LYS HD2 H 1 1.6700 . . . . . . A 52 LYS HD2 . 19694 1 529 . 1 1 52 52 LYS HE2 H 1 2.9000 . . . . . . A 52 LYS HE2 . 19694 1 530 . 1 1 52 52 LYS CA C 13 57.2400 . . . . . . A 52 LYS CA . 19694 1 531 . 1 1 52 52 LYS CB C 13 33.0300 . . . . . . A 52 LYS CB . 19694 1 532 . 1 1 52 52 LYS CG C 13 25.0900 . . . . . . A 52 LYS CG . 19694 1 533 . 1 1 52 52 LYS CD C 13 29.1600 . . . . . . A 52 LYS CD . 19694 1 534 . 1 1 52 52 LYS CE C 13 42.2000 . . . . . . A 52 LYS CE . 19694 1 535 . 1 1 52 52 LYS N N 15 123.8000 . . . . . . A 52 LYS N . 19694 1 536 . 1 1 53 53 ASP H H 1 8.2500 . . . . . . A 53 ASP H . 19694 1 537 . 1 1 53 53 ASP HA H 1 4.2300 . . . . . . A 53 ASP HA . 19694 1 538 . 1 1 53 53 ASP HB2 H 1 2.4100 . . . . . . A 53 ASP HB2 . 19694 1 539 . 1 1 53 53 ASP HB3 H 1 2.8700 . . . . . . A 53 ASP HB3 . 19694 1 540 . 1 1 53 53 ASP CA C 13 53.1300 . . . . . . A 53 ASP CA . 19694 1 541 . 1 1 53 53 ASP CB C 13 42.2300 . . . . . . A 53 ASP CB . 19694 1 542 . 1 1 53 53 ASP N N 15 124.9000 . . . . . . A 53 ASP N . 19694 1 543 . 1 1 54 54 LEU H H 1 8.6700 . . . . . . A 54 LEU H . 19694 1 544 . 1 1 54 54 LEU HA H 1 4.4400 . . . . . . A 54 LEU HA . 19694 1 545 . 1 1 54 54 LEU HB2 H 1 0.4800 . . . . . . A 54 LEU HB2 . 19694 1 546 . 1 1 54 54 LEU HB3 H 1 1.2900 . . . . . . A 54 LEU HB3 . 19694 1 547 . 1 1 54 54 LEU HG H 1 1.3400 . . . . . . A 54 LEU HG . 19694 1 548 . 1 1 54 54 LEU HD11 H 1 0.6200 . . . . . . A 54 LEU HD11 . 19694 1 549 . 1 1 54 54 LEU HD12 H 1 0.6200 . . . . . . A 54 LEU HD12 . 19694 1 550 . 1 1 54 54 LEU HD13 H 1 0.6200 . . . . . . A 54 LEU HD13 . 19694 1 551 . 1 1 54 54 LEU HD21 H 1 0.5800 . . . . . . A 54 LEU HD21 . 19694 1 552 . 1 1 54 54 LEU HD22 H 1 0.5800 . . . . . . A 54 LEU HD22 . 19694 1 553 . 1 1 54 54 LEU HD23 H 1 0.5800 . . . . . . A 54 LEU HD23 . 19694 1 554 . 1 1 54 54 LEU CA C 13 53.3400 . . . . . . A 54 LEU CA . 19694 1 555 . 1 1 54 54 LEU CB C 13 41.1700 . . . . . . A 54 LEU CB . 19694 1 556 . 1 1 54 54 LEU CG C 13 27.9600 . . . . . . A 54 LEU CG . 19694 1 557 . 1 1 54 54 LEU CD1 C 13 25.4000 . . . . . . A 54 LEU CD1 . 19694 1 558 . 1 1 54 54 LEU CD2 C 13 23.7000 . . . . . . A 54 LEU CD2 . 19694 1 559 . 1 1 54 54 LEU N N 15 130.1600 . . . . . . A 54 LEU N . 19694 1 560 . 1 1 55 55 SER H H 1 8.1600 . . . . . . A 55 SER H . 19694 1 561 . 1 1 55 55 SER HA H 1 5.5800 . . . . . . A 55 SER HA . 19694 1 562 . 1 1 55 55 SER HB2 H 1 3.3300 . . . . . . A 55 SER HB2 . 19694 1 563 . 1 1 55 55 SER CA C 13 55.8500 . . . . . . A 55 SER CA . 19694 1 564 . 1 1 55 55 SER CB C 13 67.3000 . . . . . . A 55 SER CB . 19694 1 565 . 1 1 55 55 SER N N 15 113.8200 . . . . . . A 55 SER N . 19694 1 566 . 1 1 56 56 TYR H H 1 8.4500 . . . . . . A 56 TYR H . 19694 1 567 . 1 1 56 56 TYR HA H 1 4.6200 . . . . . . A 56 TYR HA . 19694 1 568 . 1 1 56 56 TYR HB2 H 1 3.1100 . . . . . . A 56 TYR HB2 . 19694 1 569 . 1 1 56 56 TYR HB3 H 1 2.9700 . . . . . . A 56 TYR HB3 . 19694 1 570 . 1 1 56 56 TYR HD1 H 1 7.2600 . . . . . . A 56 TYR HD1 . 19694 1 571 . 1 1 56 56 TYR HD2 H 1 7.2600 . . . . . . A 56 TYR HD2 . 19694 1 572 . 1 1 56 56 TYR HE1 H 1 6.4800 . . . . . . A 56 TYR HE1 . 19694 1 573 . 1 1 56 56 TYR HE2 H 1 6.4800 . . . . . . A 56 TYR HE2 . 19694 1 574 . 1 1 56 56 TYR CA C 13 58.8100 . . . . . . A 56 TYR CA . 19694 1 575 . 1 1 56 56 TYR CB C 13 41.0000 . . . . . . A 56 TYR CB . 19694 1 576 . 1 1 56 56 TYR CD1 C 13 133.2400 . . . . . . A 56 TYR CD1 . 19694 1 577 . 1 1 56 56 TYR CD2 C 13 133.2400 . . . . . . A 56 TYR CD2 . 19694 1 578 . 1 1 56 56 TYR CE1 C 13 118.5700 . . . . . . A 56 TYR CE1 . 19694 1 579 . 1 1 56 56 TYR CE2 C 13 118.5700 . . . . . . A 56 TYR CE2 . 19694 1 580 . 1 1 56 56 TYR N N 15 122.6100 . . . . . . A 56 TYR N . 19694 1 581 . 1 1 57 57 LYS H H 1 8.9200 . . . . . . A 57 LYS H . 19694 1 582 . 1 1 57 57 LYS HA H 1 3.4700 . . . . . . A 57 LYS HA . 19694 1 583 . 1 1 57 57 LYS HB2 H 1 1.4400 . . . . . . A 57 LYS HB2 . 19694 1 584 . 1 1 57 57 LYS HB3 H 1 1.6100 . . . . . . A 57 LYS HB3 . 19694 1 585 . 1 1 57 57 LYS HG2 H 1 0.5000 . . . . . . A 57 LYS HG2 . 19694 1 586 . 1 1 57 57 LYS HG3 H 1 0.7200 . . . . . . A 57 LYS HG3 . 19694 1 587 . 1 1 57 57 LYS CA C 13 58.1000 . . . . . . A 57 LYS CA . 19694 1 588 . 1 1 57 57 LYS CB C 13 29.4800 . . . . . . A 57 LYS CB . 19694 1 589 . 1 1 57 57 LYS CG C 13 24.6100 . . . . . . A 57 LYS CG . 19694 1 590 . 1 1 57 57 LYS N N 15 126.0200 . . . . . . A 57 LYS N . 19694 1 591 . 1 1 58 58 ASP H H 1 8.4000 . . . . . . A 58 ASP H . 19694 1 592 . 1 1 58 58 ASP HA H 1 3.8300 . . . . . . A 58 ASP HA . 19694 1 593 . 1 1 58 58 ASP HB2 H 1 2.8140 . . . . . . A 58 ASP HB2 . 19694 1 594 . 1 1 58 58 ASP HB3 H 1 2.7640 . . . . . . A 58 ASP HB3 . 19694 1 595 . 1 1 58 58 ASP CA C 13 54.9000 . . . . . . A 58 ASP CA . 19694 1 596 . 1 1 58 58 ASP CB C 13 40.0800 . . . . . . A 58 ASP CB . 19694 1 597 . 1 1 59 59 ARG H H 1 7.9800 . . . . . . A 59 ARG H . 19694 1 598 . 1 1 59 59 ARG HA H 1 4.2500 . . . . . . A 59 ARG HA . 19694 1 599 . 1 1 59 59 ARG HB2 H 1 1.2400 . . . . . . A 59 ARG HB2 . 19694 1 600 . 1 1 59 59 ARG HB3 H 1 2.0100 . . . . . . A 59 ARG HB3 . 19694 1 601 . 1 1 59 59 ARG HG2 H 1 1.4900 . . . . . . A 59 ARG HG2 . 19694 1 602 . 1 1 59 59 ARG HG3 H 1 1.6800 . . . . . . A 59 ARG HG3 . 19694 1 603 . 1 1 59 59 ARG HD2 H 1 3.1400 . . . . . . A 59 ARG HD2 . 19694 1 604 . 1 1 59 59 ARG HD3 H 1 3.2900 . . . . . . A 59 ARG HD3 . 19694 1 605 . 1 1 59 59 ARG HE H 1 7.0600 . . . . . . A 59 ARG HE . 19694 1 606 . 1 1 59 59 ARG CA C 13 55.5800 . . . . . . A 59 ARG CA . 19694 1 607 . 1 1 59 59 ARG CB C 13 33.4600 . . . . . . A 59 ARG CB . 19694 1 608 . 1 1 59 59 ARG CG C 13 27.0100 . . . . . . A 59 ARG CG . 19694 1 609 . 1 1 59 59 ARG CD C 13 44.6600 . . . . . . A 59 ARG CD . 19694 1 610 . 1 1 59 59 ARG N N 15 121.1900 . . . . . . A 59 ARG N . 19694 1 611 . 1 1 60 60 HIS H H 1 8.3500 . . . . . . A 60 HIS H . 19694 1 612 . 1 1 60 60 HIS HA H 1 5.2700 . . . . . . A 60 HIS HA . 19694 1 613 . 1 1 60 60 HIS HB2 H 1 2.3860 . . . . . . A 60 HIS HB2 . 19694 1 614 . 1 1 60 60 HIS HB3 H 1 2.8500 . . . . . . A 60 HIS HB3 . 19694 1 615 . 1 1 60 60 HIS HD2 H 1 7.4000 . . . . . . A 60 HIS HD2 . 19694 1 616 . 1 1 60 60 HIS HE1 H 1 7.2400 . . . . . . A 60 HIS HE1 . 19694 1 617 . 1 1 60 60 HIS CA C 13 55.0100 . . . . . . A 60 HIS CA . 19694 1 618 . 1 1 60 60 HIS CB C 13 32.3800 . . . . . . A 60 HIS CB . 19694 1 619 . 1 1 60 60 HIS N N 15 118.4200 . . . . . . A 60 HIS N . 19694 1 620 . 1 1 61 61 TRP H H 1 9.3100 . . . . . . A 61 TRP H . 19694 1 621 . 1 1 61 61 TRP HA H 1 5.9300 . . . . . . A 61 TRP HA . 19694 1 622 . 1 1 61 61 TRP HB2 H 1 2.7400 . . . . . . A 61 TRP HB2 . 19694 1 623 . 1 1 61 61 TRP HB3 H 1 3.3900 . . . . . . A 61 TRP HB3 . 19694 1 624 . 1 1 61 61 TRP HD1 H 1 7.0200 . . . . . . A 61 TRP HD1 . 19694 1 625 . 1 1 61 61 TRP HE1 H 1 10.6100 . . . . . . A 61 TRP HE1 . 19694 1 626 . 1 1 61 61 TRP HE3 H 1 7.3400 . . . . . . A 61 TRP HE3 . 19694 1 627 . 1 1 61 61 TRP HZ2 H 1 7.3900 . . . . . . A 61 TRP HZ2 . 19694 1 628 . 1 1 61 61 TRP HZ3 H 1 6.9000 . . . . . . A 61 TRP HZ3 . 19694 1 629 . 1 1 61 61 TRP HH2 H 1 7.0700 . . . . . . A 61 TRP HH2 . 19694 1 630 . 1 1 61 61 TRP CA C 13 57.4000 . . . . . . A 61 TRP CA . 19694 1 631 . 1 1 61 61 TRP CB C 13 35.3800 . . . . . . A 61 TRP CB . 19694 1 632 . 1 1 61 61 TRP CD1 C 13 126.6400 . . . . . . A 61 TRP CD1 . 19694 1 633 . 1 1 61 61 TRP CE3 C 13 121.7000 . . . . . . A 61 TRP CE3 . 19694 1 634 . 1 1 61 61 TRP CZ2 C 13 114.3900 . . . . . . A 61 TRP CZ2 . 19694 1 635 . 1 1 61 61 TRP CZ3 C 13 123.9000 . . . . . . A 61 TRP CZ3 . 19694 1 636 . 1 1 61 61 TRP N N 15 119.9900 . . . . . . A 61 TRP N . 19694 1 637 . 1 1 61 61 TRP NE1 N 15 128.9300 . . . . . . A 61 TRP NE1 . 19694 1 638 . 1 1 62 62 HIS H H 1 8.4300 . . . . . . A 62 HIS H . 19694 1 639 . 1 1 62 62 HIS HA H 1 4.6000 . . . . . . A 62 HIS HA . 19694 1 640 . 1 1 62 62 HIS HB2 H 1 3.6700 . . . . . . A 62 HIS HB2 . 19694 1 641 . 1 1 62 62 HIS HD2 H 1 7.5800 . . . . . . A 62 HIS HD2 . 19694 1 642 . 1 1 62 62 HIS HE1 H 1 7.2400 . . . . . . A 62 HIS HE1 . 19694 1 643 . 1 1 62 62 HIS CA C 13 59.2100 . . . . . . A 62 HIS CA . 19694 1 644 . 1 1 62 62 HIS CB C 13 31.2000 . . . . . . A 62 HIS CB . 19694 1 645 . 1 1 62 62 HIS N N 15 117.2700 . . . . . . A 62 HIS N . 19694 1 646 . 1 1 63 63 GLU H H 1 9.0400 . . . . . . A 63 GLU H . 19694 1 647 . 1 1 63 63 GLU HA H 1 3.8270 . . . . . . A 63 GLU HA . 19694 1 648 . 1 1 63 63 GLU HB2 H 1 2.1300 . . . . . . A 63 GLU HB2 . 19694 1 649 . 1 1 63 63 GLU HG2 H 1 2.2700 . . . . . . A 63 GLU HG2 . 19694 1 650 . 1 1 63 63 GLU CA C 13 61.0200 . . . . . . A 63 GLU CA . 19694 1 651 . 1 1 63 63 GLU CB C 13 30.3100 . . . . . . A 63 GLU CB . 19694 1 652 . 1 1 63 63 GLU CG C 13 36.9000 . . . . . . A 63 GLU CG . 19694 1 653 . 1 1 63 63 GLU N N 15 124.6400 . . . . . . A 63 GLU N . 19694 1 654 . 1 1 64 64 ALA H H 1 8.6800 . . . . . . A 64 ALA H . 19694 1 655 . 1 1 64 64 ALA HA H 1 4.2300 . . . . . . A 64 ALA HA . 19694 1 656 . 1 1 64 64 ALA HB1 H 1 1.4900 . . . . . . A 64 ALA HB1 . 19694 1 657 . 1 1 64 64 ALA HB2 H 1 1.4900 . . . . . . A 64 ALA HB2 . 19694 1 658 . 1 1 64 64 ALA HB3 H 1 1.4900 . . . . . . A 64 ALA HB3 . 19694 1 659 . 1 1 64 64 ALA CA C 13 54.0000 . . . . . . A 64 ALA CA . 19694 1 660 . 1 1 64 64 ALA CB C 13 18.8800 . . . . . . A 64 ALA CB . 19694 1 661 . 1 1 64 64 ALA N N 15 117.0500 . . . . . . A 64 ALA N . 19694 1 662 . 1 1 65 65 CYS H H 1 7.4900 . . . . . . A 65 CYS H . 19694 1 663 . 1 1 65 65 CYS HA H 1 4.2950 . . . . . . A 65 CYS HA . 19694 1 664 . 1 1 65 65 CYS HB2 H 1 3.4200 . . . . . . A 65 CYS HB2 . 19694 1 665 . 1 1 65 65 CYS HB3 H 1 3.2100 . . . . . . A 65 CYS HB3 . 19694 1 666 . 1 1 65 65 CYS CA C 13 59.8500 . . . . . . A 65 CYS CA . 19694 1 667 . 1 1 65 65 CYS CB C 13 32.8400 . . . . . . A 65 CYS CB . 19694 1 668 . 1 1 65 65 CYS N N 15 115.3800 . . . . . . A 65 CYS N . 19694 1 669 . 1 1 66 66 PHE H H 1 7.1100 . . . . . . A 66 PHE H . 19694 1 670 . 1 1 66 66 PHE HA H 1 3.8900 . . . . . . A 66 PHE HA . 19694 1 671 . 1 1 66 66 PHE HB2 H 1 2.5300 . . . . . . A 66 PHE HB2 . 19694 1 672 . 1 1 66 66 PHE HB3 H 1 2.9900 . . . . . . A 66 PHE HB3 . 19694 1 673 . 1 1 66 66 PHE HD1 H 1 5.9700 . . . . . . A 66 PHE HD1 . 19694 1 674 . 1 1 66 66 PHE HE1 H 1 7.2900 . . . . . . A 66 PHE HE1 . 19694 1 675 . 1 1 66 66 PHE HE2 H 1 7.2900 . . . . . . A 66 PHE HE2 . 19694 1 676 . 1 1 66 66 PHE HZ H 1 6.8700 . . . . . . A 66 PHE HZ . 19694 1 677 . 1 1 66 66 PHE CA C 13 57.0100 . . . . . . A 66 PHE CA . 19694 1 678 . 1 1 66 66 PHE CB C 13 38.0700 . . . . . . A 66 PHE CB . 19694 1 679 . 1 1 66 66 PHE CD1 C 13 131.6100 . . . . . . A 66 PHE CD1 . 19694 1 680 . 1 1 66 66 PHE CD2 C 13 131.6100 . . . . . . A 66 PHE CD2 . 19694 1 681 . 1 1 66 66 PHE N N 15 122.0200 . . . . . . A 66 PHE N . 19694 1 682 . 1 1 67 67 HIS H H 1 7.3800 . . . . . . A 67 HIS H . 19694 1 683 . 1 1 67 67 HIS HA H 1 4.7200 . . . . . . A 67 HIS HA . 19694 1 684 . 1 1 67 67 HIS HB2 H 1 2.5600 . . . . . . A 67 HIS HB2 . 19694 1 685 . 1 1 67 67 HIS HB3 H 1 2.7900 . . . . . . A 67 HIS HB3 . 19694 1 686 . 1 1 67 67 HIS HD2 H 1 7.5800 . . . . . . A 67 HIS HD2 . 19694 1 687 . 1 1 67 67 HIS HE1 H 1 7.2400 . . . . . . A 67 HIS HE1 . 19694 1 688 . 1 1 67 67 HIS CA C 13 52.7300 . . . . . . A 67 HIS CA . 19694 1 689 . 1 1 67 67 HIS CB C 13 32.2300 . . . . . . A 67 HIS CB . 19694 1 690 . 1 1 67 67 HIS N N 15 121.2800 . . . . . . A 67 HIS N . 19694 1 691 . 1 1 68 68 CYS H H 1 8.5300 . . . . . . A 68 CYS H . 19694 1 692 . 1 1 68 68 CYS HA H 1 3.9600 . . . . . . A 68 CYS HA . 19694 1 693 . 1 1 68 68 CYS HB2 H 1 2.6440 . . . . . . A 68 CYS HB2 . 19694 1 694 . 1 1 68 68 CYS HB3 H 1 3.2400 . . . . . . A 68 CYS HB3 . 19694 1 695 . 1 1 68 68 CYS CA C 13 59.7900 . . . . . . A 68 CYS CA . 19694 1 696 . 1 1 68 68 CYS CB C 13 31.2000 . . . . . . A 68 CYS CB . 19694 1 697 . 1 1 68 68 CYS N N 15 121.5900 . . . . . . A 68 CYS N . 19694 1 698 . 1 1 69 69 SER H H 1 9.4600 . . . . . . A 69 SER H . 19694 1 699 . 1 1 69 69 SER HA H 1 4.3100 . . . . . . A 69 SER HA . 19694 1 700 . 1 1 69 69 SER HB2 H 1 4.2300 . . . . . . A 69 SER HB2 . 19694 1 701 . 1 1 69 69 SER HB3 H 1 3.9000 . . . . . . A 69 SER HB3 . 19694 1 702 . 1 1 69 69 SER CA C 13 61.7600 . . . . . . A 69 SER CA . 19694 1 703 . 1 1 69 69 SER CB C 13 64.0400 . . . . . . A 69 SER CB . 19694 1 704 . 1 1 69 69 SER N N 15 126.5300 . . . . . . A 69 SER N . 19694 1 705 . 1 1 70 70 GLN H H 1 8.9800 . . . . . . A 70 GLN H . 19694 1 706 . 1 1 70 70 GLN HA H 1 4.5100 . . . . . . A 70 GLN HA . 19694 1 707 . 1 1 70 70 GLN HB2 H 1 2.4900 . . . . . . A 70 GLN HB2 . 19694 1 708 . 1 1 70 70 GLN HB3 H 1 2.1300 . . . . . . A 70 GLN HB3 . 19694 1 709 . 1 1 70 70 GLN HG2 H 1 2.2500 . . . . . . A 70 GLN HG2 . 19694 1 710 . 1 1 70 70 GLN HG3 H 1 2.3200 . . . . . . A 70 GLN HG3 . 19694 1 711 . 1 1 70 70 GLN HE21 H 1 7.5000 . . . . . . A 70 GLN HE21 . 19694 1 712 . 1 1 70 70 GLN HE22 H 1 6.9500 . . . . . . A 70 GLN HE22 . 19694 1 713 . 1 1 70 70 GLN CA C 13 57.8400 . . . . . . A 70 GLN CA . 19694 1 714 . 1 1 70 70 GLN CB C 13 30.4300 . . . . . . A 70 GLN CB . 19694 1 715 . 1 1 70 70 GLN CG C 13 34.1800 . . . . . . A 70 GLN CG . 19694 1 716 . 1 1 70 70 GLN N N 15 122.3700 . . . . . . A 70 GLN N . 19694 1 717 . 1 1 70 70 GLN NE2 N 15 113.7600 . . . . . . A 70 GLN NE2 . 19694 1 718 . 1 1 71 71 CYS H H 1 8.2200 . . . . . . A 71 CYS H . 19694 1 719 . 1 1 71 71 CYS HA H 1 4.7200 . . . . . . A 71 CYS HA . 19694 1 720 . 1 1 71 71 CYS HB2 H 1 3.1300 . . . . . . A 71 CYS HB2 . 19694 1 721 . 1 1 71 71 CYS HB3 H 1 3.2300 . . . . . . A 71 CYS HB3 . 19694 1 722 . 1 1 71 71 CYS CA C 13 59.7700 . . . . . . A 71 CYS CA . 19694 1 723 . 1 1 71 71 CYS CB C 13 31.9100 . . . . . . A 71 CYS CB . 19694 1 724 . 1 1 71 71 CYS N N 15 118.8600 . . . . . . A 71 CYS N . 19694 1 725 . 1 1 72 72 ARG H H 1 7.3800 . . . . . . A 72 ARG H . 19694 1 726 . 1 1 72 72 ARG HA H 1 3.9650 . . . . . . A 72 ARG HA . 19694 1 727 . 1 1 72 72 ARG HB2 H 1 1.2100 . . . . . . A 72 ARG HB2 . 19694 1 728 . 1 1 72 72 ARG HB3 H 1 1.3400 . . . . . . A 72 ARG HB3 . 19694 1 729 . 1 1 72 72 ARG HG2 H 1 1.7400 . . . . . . A 72 ARG HG2 . 19694 1 730 . 1 1 72 72 ARG HG3 H 1 1.9560 . . . . . . A 72 ARG HG3 . 19694 1 731 . 1 1 72 72 ARG HD2 H 1 2.9500 . . . . . . A 72 ARG HD2 . 19694 1 732 . 1 1 72 72 ARG HE H 1 6.9100 . . . . . . A 72 ARG HE . 19694 1 733 . 1 1 72 72 ARG CA C 13 58.0300 . . . . . . A 72 ARG CA . 19694 1 734 . 1 1 72 72 ARG CB C 13 27.7200 . . . . . . A 72 ARG CB . 19694 1 735 . 1 1 72 72 ARG CG C 13 27.0100 . . . . . . A 72 ARG CG . 19694 1 736 . 1 1 72 72 ARG CD C 13 42.7100 . . . . . . A 72 ARG CD . 19694 1 737 . 1 1 72 72 ARG N N 15 114.3800 . . . . . . A 72 ARG N . 19694 1 738 . 1 1 72 72 ARG NE N 15 85.1800 . . . . . . A 72 ARG NE . 19694 1 739 . 1 1 73 73 ASN H H 1 8.7220 . . . . . . A 73 ASN H . 19694 1 740 . 1 1 73 73 ASN HA H 1 4.6300 . . . . . . A 73 ASN HA . 19694 1 741 . 1 1 73 73 ASN HB2 H 1 2.9500 . . . . . . A 73 ASN HB2 . 19694 1 742 . 1 1 73 73 ASN HB3 H 1 2.6300 . . . . . . A 73 ASN HB3 . 19694 1 743 . 1 1 73 73 ASN HD21 H 1 7.8900 . . . . . . A 73 ASN HD21 . 19694 1 744 . 1 1 73 73 ASN HD22 H 1 6.9560 . . . . . . A 73 ASN HD22 . 19694 1 745 . 1 1 73 73 ASN CA C 13 54.1100 . . . . . . A 73 ASN CA . 19694 1 746 . 1 1 73 73 ASN CB C 13 38.8700 . . . . . . A 73 ASN CB . 19694 1 747 . 1 1 73 73 ASN N N 15 121.4800 . . . . . . A 73 ASN N . 19694 1 748 . 1 1 73 73 ASN ND2 N 15 114.1400 . . . . . . A 73 ASN ND2 . 19694 1 749 . 1 1 74 74 SER H H 1 8.6900 . . . . . . A 74 SER H . 19694 1 750 . 1 1 74 74 SER HA H 1 4.0600 . . . . . . A 74 SER HA . 19694 1 751 . 1 1 74 74 SER HB2 H 1 3.7300 . . . . . . A 74 SER HB2 . 19694 1 752 . 1 1 74 74 SER HB3 H 1 4.0500 . . . . . . A 74 SER HB3 . 19694 1 753 . 1 1 74 74 SER CA C 13 59.3570 . . . . . . A 74 SER CA . 19694 1 754 . 1 1 74 74 SER CB C 13 63.3000 . . . . . . A 74 SER CB . 19694 1 755 . 1 1 74 74 SER N N 15 114.7100 . . . . . . A 74 SER N . 19694 1 756 . 1 1 75 75 LEU H H 1 7.9700 . . . . . . A 75 LEU H . 19694 1 757 . 1 1 75 75 LEU HA H 1 4.2800 . . . . . . A 75 LEU HA . 19694 1 758 . 1 1 75 75 LEU HB2 H 1 1.0000 . . . . . . A 75 LEU HB2 . 19694 1 759 . 1 1 75 75 LEU HB3 H 1 0.2200 . . . . . . A 75 LEU HB3 . 19694 1 760 . 1 1 75 75 LEU HG H 1 0.9400 . . . . . . A 75 LEU HG . 19694 1 761 . 1 1 75 75 LEU HD11 H 1 -0.5200 . . . . . . A 75 LEU HD11 . 19694 1 762 . 1 1 75 75 LEU HD12 H 1 -0.5200 . . . . . . A 75 LEU HD12 . 19694 1 763 . 1 1 75 75 LEU HD13 H 1 -0.5200 . . . . . . A 75 LEU HD13 . 19694 1 764 . 1 1 75 75 LEU HD21 H 1 0.4900 . . . . . . A 75 LEU HD21 . 19694 1 765 . 1 1 75 75 LEU HD22 H 1 0.4900 . . . . . . A 75 LEU HD22 . 19694 1 766 . 1 1 75 75 LEU HD23 H 1 0.4900 . . . . . . A 75 LEU HD23 . 19694 1 767 . 1 1 75 75 LEU CA C 13 53.5100 . . . . . . A 75 LEU CA . 19694 1 768 . 1 1 75 75 LEU CB C 13 42.2000 . . . . . . A 75 LEU CB . 19694 1 769 . 1 1 75 75 LEU CG C 13 26.2300 . . . . . . A 75 LEU CG . 19694 1 770 . 1 1 75 75 LEU CD1 C 13 25.3000 . . . . . . A 75 LEU CD1 . 19694 1 771 . 1 1 75 75 LEU CD2 C 13 22.5000 . . . . . . A 75 LEU CD2 . 19694 1 772 . 1 1 75 75 LEU N N 15 125.7570 . . . . . . A 75 LEU N . 19694 1 773 . 1 1 76 76 VAL H H 1 7.8300 . . . . . . A 76 VAL H . 19694 1 774 . 1 1 76 76 VAL HA H 1 3.5700 . . . . . . A 76 VAL HA . 19694 1 775 . 1 1 76 76 VAL HB H 1 1.9300 . . . . . . A 76 VAL HB . 19694 1 776 . 1 1 76 76 VAL HG11 H 1 0.9480 . . . . . . A 76 VAL HG11 . 19694 1 777 . 1 1 76 76 VAL HG12 H 1 0.9480 . . . . . . A 76 VAL HG12 . 19694 1 778 . 1 1 76 76 VAL HG13 H 1 0.9480 . . . . . . A 76 VAL HG13 . 19694 1 779 . 1 1 76 76 VAL HG21 H 1 1.2100 . . . . . . A 76 VAL HG21 . 19694 1 780 . 1 1 76 76 VAL HG22 H 1 1.2100 . . . . . . A 76 VAL HG22 . 19694 1 781 . 1 1 76 76 VAL HG23 H 1 1.2100 . . . . . . A 76 VAL HG23 . 19694 1 782 . 1 1 76 76 VAL CA C 13 65.4200 . . . . . . A 76 VAL CA . 19694 1 783 . 1 1 76 76 VAL CB C 13 31.5400 . . . . . . A 76 VAL CB . 19694 1 784 . 1 1 76 76 VAL CG1 C 13 21.3400 . . . . . . A 76 VAL CG1 . 19694 1 785 . 1 1 76 76 VAL CG2 C 13 23.4600 . . . . . . A 76 VAL CG2 . 19694 1 786 . 1 1 76 76 VAL N N 15 120.8600 . . . . . . A 76 VAL N . 19694 1 787 . 1 1 77 77 ASP H H 1 8.9100 . . . . . . A 77 ASP H . 19694 1 788 . 1 1 77 77 ASP HA H 1 4.2300 . . . . . . A 77 ASP HA . 19694 1 789 . 1 1 77 77 ASP HB2 H 1 2.8000 . . . . . . A 77 ASP HB2 . 19694 1 790 . 1 1 77 77 ASP HB3 H 1 2.8600 . . . . . . A 77 ASP HB3 . 19694 1 791 . 1 1 77 77 ASP CA C 13 56.2000 . . . . . . A 77 ASP CA . 19694 1 792 . 1 1 77 77 ASP CB C 13 39.3800 . . . . . . A 77 ASP CB . 19694 1 793 . 1 1 77 77 ASP N N 15 122.3600 . . . . . . A 77 ASP N . 19694 1 794 . 1 1 78 78 LYS H H 1 7.6600 . . . . . . A 78 LYS H . 19694 1 795 . 1 1 78 78 LYS HA H 1 4.8700 . . . . . . A 78 LYS HA . 19694 1 796 . 1 1 78 78 LYS HB2 H 1 1.4560 . . . . . . A 78 LYS HB2 . 19694 1 797 . 1 1 78 78 LYS HB3 H 1 1.8700 . . . . . . A 78 LYS HB3 . 19694 1 798 . 1 1 78 78 LYS HG2 H 1 1.5000 . . . . . . A 78 LYS HG2 . 19694 1 799 . 1 1 78 78 LYS HG3 H 1 1.3300 . . . . . . A 78 LYS HG3 . 19694 1 800 . 1 1 78 78 LYS HD2 H 1 1.4400 . . . . . . A 78 LYS HD2 . 19694 1 801 . 1 1 78 78 LYS HE2 H 1 2.8400 . . . . . . A 78 LYS HE2 . 19694 1 802 . 1 1 78 78 LYS CA C 13 56.9600 . . . . . . A 78 LYS CA . 19694 1 803 . 1 1 78 78 LYS CB C 13 34.6800 . . . . . . A 78 LYS CB . 19694 1 804 . 1 1 78 78 LYS CG C 13 24.0800 . . . . . . A 78 LYS CG . 19694 1 805 . 1 1 78 78 LYS CD C 13 29.2500 . . . . . . A 78 LYS CD . 19694 1 806 . 1 1 78 78 LYS CE C 13 42.0400 . . . . . . A 78 LYS CE . 19694 1 807 . 1 1 78 78 LYS N N 15 118.1000 . . . . . . A 78 LYS N . 19694 1 808 . 1 1 79 79 PRO HA H 1 4.4600 . . . . . . A 79 PRO HA . 19694 1 809 . 1 1 79 79 PRO HB2 H 1 2.1700 . . . . . . A 79 PRO HB2 . 19694 1 810 . 1 1 79 79 PRO HB3 H 1 1.7400 . . . . . . A 79 PRO HB3 . 19694 1 811 . 1 1 79 79 PRO HG2 H 1 1.9200 . . . . . . A 79 PRO HG2 . 19694 1 812 . 1 1 79 79 PRO HG3 H 1 2.0100 . . . . . . A 79 PRO HG3 . 19694 1 813 . 1 1 79 79 PRO HD2 H 1 3.7800 . . . . . . A 79 PRO HD2 . 19694 1 814 . 1 1 79 79 PRO HD3 H 1 3.5800 . . . . . . A 79 PRO HD3 . 19694 1 815 . 1 1 79 79 PRO CA C 13 62.5200 . . . . . . A 79 PRO CA . 19694 1 816 . 1 1 79 79 PRO CB C 13 32.1600 . . . . . . A 79 PRO CB . 19694 1 817 . 1 1 79 79 PRO CG C 13 27.6000 . . . . . . A 79 PRO CG . 19694 1 818 . 1 1 79 79 PRO CD C 13 50.3100 . . . . . . A 79 PRO CD . 19694 1 819 . 1 1 80 80 PHE H H 1 7.5100 . . . . . . A 80 PHE H . 19694 1 820 . 1 1 80 80 PHE HA H 1 4.9100 . . . . . . A 80 PHE HA . 19694 1 821 . 1 1 80 80 PHE HB2 H 1 2.7900 . . . . . . A 80 PHE HB2 . 19694 1 822 . 1 1 80 80 PHE HB3 H 1 2.6000 . . . . . . A 80 PHE HB3 . 19694 1 823 . 1 1 80 80 PHE HD2 H 1 6.8800 . . . . . . A 80 PHE HD2 . 19694 1 824 . 1 1 80 80 PHE HE1 H 1 7.2900 . . . . . . A 80 PHE HE1 . 19694 1 825 . 1 1 80 80 PHE HE2 H 1 7.2900 . . . . . . A 80 PHE HE2 . 19694 1 826 . 1 1 80 80 PHE HZ H 1 6.8400 . . . . . . A 80 PHE HZ . 19694 1 827 . 1 1 80 80 PHE CA C 13 56.0600 . . . . . . A 80 PHE CA . 19694 1 828 . 1 1 80 80 PHE CB C 13 42.4100 . . . . . . A 80 PHE CB . 19694 1 829 . 1 1 80 80 PHE CD1 C 13 131.7900 . . . . . . A 80 PHE CD1 . 19694 1 830 . 1 1 80 80 PHE CD2 C 13 131.7900 . . . . . . A 80 PHE CD2 . 19694 1 831 . 1 1 80 80 PHE CE1 C 13 129.2900 . . . . . . A 80 PHE CE1 . 19694 1 832 . 1 1 80 80 PHE CE2 C 13 129.2900 . . . . . . A 80 PHE CE2 . 19694 1 833 . 1 1 80 80 PHE N N 15 114.0500 . . . . . . A 80 PHE N . 19694 1 834 . 1 1 81 81 ALA H H 1 9.0300 . . . . . . A 81 ALA H . 19694 1 835 . 1 1 81 81 ALA HA H 1 4.3100 . . . . . . A 81 ALA HA . 19694 1 836 . 1 1 81 81 ALA HB1 H 1 0.6950 . . . . . . A 81 ALA HB1 . 19694 1 837 . 1 1 81 81 ALA HB2 H 1 0.6950 . . . . . . A 81 ALA HB2 . 19694 1 838 . 1 1 81 81 ALA HB3 H 1 0.6950 . . . . . . A 81 ALA HB3 . 19694 1 839 . 1 1 81 81 ALA CA C 13 50.4500 . . . . . . A 81 ALA CA . 19694 1 840 . 1 1 81 81 ALA CB C 13 21.9200 . . . . . . A 81 ALA CB . 19694 1 841 . 1 1 81 81 ALA N N 15 123.2900 . . . . . . A 81 ALA N . 19694 1 842 . 1 1 82 82 ALA H H 1 8.2400 . . . . . . A 82 ALA H . 19694 1 843 . 1 1 82 82 ALA HA H 1 5.1100 . . . . . . A 82 ALA HA . 19694 1 844 . 1 1 82 82 ALA HB1 H 1 1.2300 . . . . . . A 82 ALA HB1 . 19694 1 845 . 1 1 82 82 ALA HB2 H 1 1.2300 . . . . . . A 82 ALA HB2 . 19694 1 846 . 1 1 82 82 ALA HB3 H 1 1.2300 . . . . . . A 82 ALA HB3 . 19694 1 847 . 1 1 82 82 ALA CA C 13 51.1000 . . . . . . A 82 ALA CA . 19694 1 848 . 1 1 82 82 ALA CB C 13 21.1300 . . . . . . A 82 ALA CB . 19694 1 849 . 1 1 82 82 ALA N N 15 122.4900 . . . . . . A 82 ALA N . 19694 1 850 . 1 1 83 83 LYS H H 1 8.4000 . . . . . . A 83 LYS H . 19694 1 851 . 1 1 83 83 LYS HA H 1 4.4900 . . . . . . A 83 LYS HA . 19694 1 852 . 1 1 83 83 LYS HB2 H 1 1.7500 . . . . . . A 83 LYS HB2 . 19694 1 853 . 1 1 83 83 LYS HB3 H 1 1.4900 . . . . . . A 83 LYS HB3 . 19694 1 854 . 1 1 83 83 LYS HG2 H 1 1.2200 . . . . . . A 83 LYS HG2 . 19694 1 855 . 1 1 83 83 LYS HG3 H 1 1.3600 . . . . . . A 83 LYS HG3 . 19694 1 856 . 1 1 83 83 LYS HD2 H 1 1.5100 . . . . . . A 83 LYS HD2 . 19694 1 857 . 1 1 83 83 LYS HE2 H 1 2.7650 . . . . . . A 83 LYS HE2 . 19694 1 858 . 1 1 83 83 LYS CA C 13 55.8000 . . . . . . A 83 LYS CA . 19694 1 859 . 1 1 83 83 LYS CB C 13 34.7200 . . . . . . A 83 LYS CB . 19694 1 860 . 1 1 83 83 LYS CG C 13 24.8500 . . . . . . A 83 LYS CG . 19694 1 861 . 1 1 83 83 LYS CD C 13 29.3200 . . . . . . A 83 LYS CD . 19694 1 862 . 1 1 83 83 LYS CE C 13 42.1700 . . . . . . A 83 LYS CE . 19694 1 863 . 1 1 83 83 LYS N N 15 123.5800 . . . . . . A 83 LYS N . 19694 1 864 . 1 1 84 84 GLU H H 1 9.3200 . . . . . . A 84 GLU H . 19694 1 865 . 1 1 84 84 GLU HA H 1 3.8200 . . . . . . A 84 GLU HA . 19694 1 866 . 1 1 84 84 GLU HB2 H 1 2.2700 . . . . . . A 84 GLU HB2 . 19694 1 867 . 1 1 84 84 GLU HB3 H 1 2.1500 . . . . . . A 84 GLU HB3 . 19694 1 868 . 1 1 84 84 GLU HG2 H 1 2.2800 . . . . . . A 84 GLU HG2 . 19694 1 869 . 1 1 84 84 GLU CA C 13 58.6200 . . . . . . A 84 GLU CA . 19694 1 870 . 1 1 84 84 GLU CB C 13 27.2100 . . . . . . A 84 GLU CB . 19694 1 871 . 1 1 84 84 GLU CG C 13 36.4000 . . . . . . A 84 GLU CG . 19694 1 872 . 1 1 84 84 GLU N N 15 125.4700 . . . . . . A 84 GLU N . 19694 1 873 . 1 1 85 85 ASP H H 1 8.7300 . . . . . . A 85 ASP H . 19694 1 874 . 1 1 85 85 ASP HA H 1 4.6000 . . . . . . A 85 ASP HA . 19694 1 875 . 1 1 85 85 ASP HB2 H 1 2.8500 . . . . . . A 85 ASP HB2 . 19694 1 876 . 1 1 85 85 ASP HB3 H 1 2.9000 . . . . . . A 85 ASP HB3 . 19694 1 877 . 1 1 85 85 ASP CA C 13 55.4000 . . . . . . A 85 ASP CA . 19694 1 878 . 1 1 85 85 ASP CB C 13 40.4000 . . . . . . A 85 ASP CB . 19694 1 879 . 1 1 85 85 ASP N N 15 118.5500 . . . . . . A 85 ASP N . 19694 1 880 . 1 1 86 86 GLN H H 1 8.1700 . . . . . . A 86 GLN H . 19694 1 881 . 1 1 86 86 GLN HA H 1 4.5400 . . . . . . A 86 GLN HA . 19694 1 882 . 1 1 86 86 GLN HB2 H 1 2.0100 . . . . . . A 86 GLN HB2 . 19694 1 883 . 1 1 86 86 GLN HG2 H 1 2.4700 . . . . . . A 86 GLN HG2 . 19694 1 884 . 1 1 86 86 GLN HG3 H 1 2.3200 . . . . . . A 86 GLN HG3 . 19694 1 885 . 1 1 86 86 GLN HE21 H 1 7.5300 . . . . . . A 86 GLN HE21 . 19694 1 886 . 1 1 86 86 GLN HE22 H 1 6.8700 . . . . . . A 86 GLN HE22 . 19694 1 887 . 1 1 86 86 GLN CA C 13 55.1000 . . . . . . A 86 GLN CA . 19694 1 888 . 1 1 86 86 GLN CB C 13 31.1100 . . . . . . A 86 GLN CB . 19694 1 889 . 1 1 86 86 GLN CG C 13 34.2000 . . . . . . A 86 GLN CG . 19694 1 890 . 1 1 86 86 GLN N N 15 119.0500 . . . . . . A 86 GLN N . 19694 1 891 . 1 1 86 86 GLN NE2 N 15 110.8600 . . . . . . A 86 GLN NE2 . 19694 1 892 . 1 1 87 87 LEU H H 1 8.4900 . . . . . . A 87 LEU H . 19694 1 893 . 1 1 87 87 LEU HA H 1 4.6200 . . . . . . A 87 LEU HA . 19694 1 894 . 1 1 87 87 LEU HB2 H 1 1.2800 . . . . . . A 87 LEU HB2 . 19694 1 895 . 1 1 87 87 LEU HB3 H 1 0.4900 . . . . . . A 87 LEU HB3 . 19694 1 896 . 1 1 87 87 LEU HG H 1 1.1960 . . . . . . A 87 LEU HG . 19694 1 897 . 1 1 87 87 LEU HD11 H 1 -0.2900 . . . . . . A 87 LEU HD11 . 19694 1 898 . 1 1 87 87 LEU HD12 H 1 -0.2900 . . . . . . A 87 LEU HD12 . 19694 1 899 . 1 1 87 87 LEU HD13 H 1 -0.2900 . . . . . . A 87 LEU HD13 . 19694 1 900 . 1 1 87 87 LEU HD21 H 1 0.1100 . . . . . . A 87 LEU HD21 . 19694 1 901 . 1 1 87 87 LEU HD22 H 1 0.1100 . . . . . . A 87 LEU HD22 . 19694 1 902 . 1 1 87 87 LEU HD23 H 1 0.1100 . . . . . . A 87 LEU HD23 . 19694 1 903 . 1 1 87 87 LEU CA C 13 54.5200 . . . . . . A 87 LEU CA . 19694 1 904 . 1 1 87 87 LEU CB C 13 42.7000 . . . . . . A 87 LEU CB . 19694 1 905 . 1 1 87 87 LEU CG C 13 27.0200 . . . . . . A 87 LEU CG . 19694 1 906 . 1 1 87 87 LEU CD1 C 13 25.0800 . . . . . . A 87 LEU CD1 . 19694 1 907 . 1 1 87 87 LEU CD2 C 13 22.9100 . . . . . . A 87 LEU CD2 . 19694 1 908 . 1 1 87 87 LEU N N 15 123.1100 . . . . . . A 87 LEU N . 19694 1 909 . 1 1 88 88 LEU H H 1 8.9300 . . . . . . A 88 LEU H . 19694 1 910 . 1 1 88 88 LEU HA H 1 5.8800 . . . . . . A 88 LEU HA . 19694 1 911 . 1 1 88 88 LEU HB2 H 1 1.6280 . . . . . . A 88 LEU HB2 . 19694 1 912 . 1 1 88 88 LEU HG H 1 2.8800 . . . . . . A 88 LEU HG . 19694 1 913 . 1 1 88 88 LEU HD11 H 1 0.8300 . . . . . . A 88 LEU HD11 . 19694 1 914 . 1 1 88 88 LEU HD12 H 1 0.8300 . . . . . . A 88 LEU HD12 . 19694 1 915 . 1 1 88 88 LEU HD13 H 1 0.8300 . . . . . . A 88 LEU HD13 . 19694 1 916 . 1 1 88 88 LEU HD21 H 1 0.9700 . . . . . . A 88 LEU HD21 . 19694 1 917 . 1 1 88 88 LEU HD22 H 1 0.9700 . . . . . . A 88 LEU HD22 . 19694 1 918 . 1 1 88 88 LEU HD23 H 1 0.9700 . . . . . . A 88 LEU HD23 . 19694 1 919 . 1 1 88 88 LEU CA C 13 53.3400 . . . . . . A 88 LEU CA . 19694 1 920 . 1 1 88 88 LEU CB C 13 47.1900 . . . . . . A 88 LEU CB . 19694 1 921 . 1 1 88 88 LEU CG C 13 29.9400 . . . . . . A 88 LEU CG . 19694 1 922 . 1 1 88 88 LEU CD1 C 13 26.8700 . . . . . . A 88 LEU CD1 . 19694 1 923 . 1 1 88 88 LEU CD2 C 13 25.2500 . . . . . . A 88 LEU CD2 . 19694 1 924 . 1 1 88 88 LEU N N 15 123.6900 . . . . . . A 88 LEU N . 19694 1 925 . 1 1 89 89 CYS H H 1 9.4300 . . . . . . A 89 CYS H . 19694 1 926 . 1 1 89 89 CYS HA H 1 4.7800 . . . . . . A 89 CYS HA . 19694 1 927 . 1 1 89 89 CYS HB2 H 1 3.6200 . . . . . . A 89 CYS HB2 . 19694 1 928 . 1 1 89 89 CYS HB3 H 1 2.7600 . . . . . . A 89 CYS HB3 . 19694 1 929 . 1 1 89 89 CYS CA C 13 57.6400 . . . . . . A 89 CYS CA . 19694 1 930 . 1 1 89 89 CYS CB C 13 30.9400 . . . . . . A 89 CYS CB . 19694 1 931 . 1 1 89 89 CYS N N 15 122.2700 . . . . . . A 89 CYS N . 19694 1 932 . 1 1 90 90 THR H H 1 8.4100 . . . . . . A 90 THR H . 19694 1 933 . 1 1 90 90 THR HA H 1 3.9000 . . . . . . A 90 THR HA . 19694 1 934 . 1 1 90 90 THR HB H 1 4.2000 . . . . . . A 90 THR HB . 19694 1 935 . 1 1 90 90 THR HG21 H 1 1.1200 . . . . . . A 90 THR HG21 . 19694 1 936 . 1 1 90 90 THR HG22 H 1 1.1200 . . . . . . A 90 THR HG22 . 19694 1 937 . 1 1 90 90 THR HG23 H 1 1.1200 . . . . . . A 90 THR HG23 . 19694 1 938 . 1 1 90 90 THR CA C 13 65.4600 . . . . . . A 90 THR CA . 19694 1 939 . 1 1 90 90 THR CB C 13 68.6700 . . . . . . A 90 THR CB . 19694 1 940 . 1 1 90 90 THR CG2 C 13 22.0900 . . . . . . A 90 THR CG2 . 19694 1 941 . 1 1 90 90 THR N N 15 110.6200 . . . . . . A 90 THR N . 19694 1 942 . 1 1 91 91 ASP H H 1 8.1500 . . . . . . A 91 ASP H . 19694 1 943 . 1 1 91 91 ASP HA H 1 4.4900 . . . . . . A 91 ASP HA . 19694 1 944 . 1 1 91 91 ASP HB2 H 1 2.6700 . . . . . . A 91 ASP HB2 . 19694 1 945 . 1 1 91 91 ASP HB3 H 1 2.8600 . . . . . . A 91 ASP HB3 . 19694 1 946 . 1 1 91 91 ASP CA C 13 57.8100 . . . . . . A 91 ASP CA . 19694 1 947 . 1 1 91 91 ASP CB C 13 41.1600 . . . . . . A 91 ASP CB . 19694 1 948 . 1 1 91 91 ASP N N 15 123.4700 . . . . . . A 91 ASP N . 19694 1 949 . 1 1 92 92 CYS H H 1 8.5800 . . . . . . A 92 CYS H . 19694 1 950 . 1 1 92 92 CYS HA H 1 3.9700 . . . . . . A 92 CYS HA . 19694 1 951 . 1 1 92 92 CYS HB2 H 1 2.8900 . . . . . . A 92 CYS HB2 . 19694 1 952 . 1 1 92 92 CYS CA C 13 64.1000 . . . . . . A 92 CYS CA . 19694 1 953 . 1 1 92 92 CYS CB C 13 30.0900 . . . . . . A 92 CYS CB . 19694 1 954 . 1 1 92 92 CYS N N 15 123.8000 . . . . . . A 92 CYS N . 19694 1 955 . 1 1 93 93 TYR H H 1 8.5400 . . . . . . A 93 TYR H . 19694 1 956 . 1 1 93 93 TYR HA H 1 4.1400 . . . . . . A 93 TYR HA . 19694 1 957 . 1 1 93 93 TYR HB2 H 1 2.8900 . . . . . . A 93 TYR HB2 . 19694 1 958 . 1 1 93 93 TYR HB3 H 1 2.8100 . . . . . . A 93 TYR HB3 . 19694 1 959 . 1 1 93 93 TYR HD1 H 1 6.8900 . . . . . . A 93 TYR HD1 . 19694 1 960 . 1 1 93 93 TYR HD2 H 1 6.8900 . . . . . . A 93 TYR HD2 . 19694 1 961 . 1 1 93 93 TYR HE1 H 1 6.6400 . . . . . . A 93 TYR HE1 . 19694 1 962 . 1 1 93 93 TYR HE2 H 1 6.6400 . . . . . . A 93 TYR HE2 . 19694 1 963 . 1 1 93 93 TYR CA C 13 60.3800 . . . . . . A 93 TYR CA . 19694 1 964 . 1 1 93 93 TYR CB C 13 39.3000 . . . . . . A 93 TYR CB . 19694 1 965 . 1 1 93 93 TYR N N 15 120.7300 . . . . . . A 93 TYR N . 19694 1 966 . 1 1 94 94 SER H H 1 7.7500 . . . . . . A 94 SER H . 19694 1 967 . 1 1 94 94 SER HA H 1 4.2200 . . . . . . A 94 SER HA . 19694 1 968 . 1 1 94 94 SER HB2 H 1 3.8600 . . . . . . A 94 SER HB2 . 19694 1 969 . 1 1 94 94 SER CA C 13 59.3000 . . . . . . A 94 SER CA . 19694 1 970 . 1 1 94 94 SER CB C 13 63.6600 . . . . . . A 94 SER CB . 19694 1 971 . 1 1 94 94 SER N N 15 115.0100 . . . . . . A 94 SER N . 19694 1 972 . 1 1 95 95 ASN H H 1 7.7800 . . . . . . A 95 ASN H . 19694 1 973 . 1 1 95 95 ASN HA H 1 4.5100 . . . . . . A 95 ASN HA . 19694 1 974 . 1 1 95 95 ASN HB2 H 1 2.6600 . . . . . . A 95 ASN HB2 . 19694 1 975 . 1 1 95 95 ASN HD21 H 1 7.5900 . . . . . . A 95 ASN HD21 . 19694 1 976 . 1 1 95 95 ASN HD22 H 1 6.9300 . . . . . . A 95 ASN HD22 . 19694 1 977 . 1 1 95 95 ASN CA C 13 53.8800 . . . . . . A 95 ASN CA . 19694 1 978 . 1 1 95 95 ASN CB C 13 39.3000 . . . . . . A 95 ASN CB . 19694 1 979 . 1 1 95 95 ASN N N 15 119.8200 . . . . . . A 95 ASN N . 19694 1 980 . 1 1 95 95 ASN ND2 N 15 113.4000 . . . . . . A 95 ASN ND2 . 19694 1 981 . 1 1 96 96 GLU H H 1 7.9500 . . . . . . A 96 GLU H . 19694 1 982 . 1 1 96 96 GLU HA H 1 4.0960 . . . . . . A 96 GLU HA . 19694 1 983 . 1 1 96 96 GLU HB2 H 1 1.6900 . . . . . . A 96 GLU HB2 . 19694 1 984 . 1 1 96 96 GLU HG2 H 1 1.9500 . . . . . . A 96 GLU HG2 . 19694 1 985 . 1 1 96 96 GLU CA C 13 56.9100 . . . . . . A 96 GLU CA . 19694 1 986 . 1 1 96 96 GLU CB C 13 30.2200 . . . . . . A 96 GLU CB . 19694 1 987 . 1 1 96 96 GLU CG C 13 35.8600 . . . . . . A 96 GLU CG . 19694 1 988 . 1 1 96 96 GLU N N 15 119.8200 . . . . . . A 96 GLU N . 19694 1 989 . 1 1 97 97 TYR H H 1 8.0700 . . . . . . A 97 TYR H . 19694 1 990 . 1 1 97 97 TYR HA H 1 4.6200 . . . . . . A 97 TYR HA . 19694 1 991 . 1 1 97 97 TYR HB2 H 1 3.0800 . . . . . . A 97 TYR HB2 . 19694 1 992 . 1 1 97 97 TYR HB3 H 1 2.8600 . . . . . . A 97 TYR HB3 . 19694 1 993 . 1 1 97 97 TYR HD1 H 1 6.9000 . . . . . . A 97 TYR HD1 . 19694 1 994 . 1 1 97 97 TYR HD2 H 1 6.9000 . . . . . . A 97 TYR HD2 . 19694 1 995 . 1 1 97 97 TYR HE1 H 1 6.4800 . . . . . . A 97 TYR HE1 . 19694 1 996 . 1 1 97 97 TYR HE2 H 1 6.4800 . . . . . . A 97 TYR HE2 . 19694 1 997 . 1 1 97 97 TYR CA C 13 57.7000 . . . . . . A 97 TYR CA . 19694 1 998 . 1 1 97 97 TYR CB C 13 38.7100 . . . . . . A 97 TYR CB . 19694 1 999 . 1 1 97 97 TYR N N 15 120.3700 . . . . . . A 97 TYR N . 19694 1 1000 . 1 1 98 98 SER H H 1 7.7600 . . . . . . A 98 SER H . 19694 1 1001 . 1 1 98 98 SER HA H 1 4.1400 . . . . . . A 98 SER HA . 19694 1 1002 . 1 1 98 98 SER HB2 H 1 3.7600 . . . . . . A 98 SER HB2 . 19694 1 1003 . 1 1 98 98 SER CA C 13 60.3900 . . . . . . A 98 SER CA . 19694 1 1004 . 1 1 98 98 SER CB C 13 65.0800 . . . . . . A 98 SER CB . 19694 1 1005 . 1 1 98 98 SER N N 15 122.4900 . . . . . . A 98 SER N . 19694 1 stop_ save_