data_51655 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51655 _Entry.Title ; UBE3A isoform 2 AZUL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-06 _Entry.Accession_date 2022-10-06 _Entry.Last_release_date 2022-10-06 _Entry.Original_release_date 2022-10-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'AZUL domain of UBE3A isoform 2 including N-terminal extension' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Thomas Bregnard . A. . 0000-0003-4778-890X 51655 2 Irina Bezsonova . . . 0000-0002-8629-0349 51655 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Bezsonova lab; UConn Health' . 51655 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51655 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 51655 '15N chemical shifts' 92 51655 '1H chemical shifts' 548 51655 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 . . 2022-11-07 . original BMRB . 51655 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51655 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Differences in structure, dynamics and Zn-coordination between isoforms of human ubiquitin ligase UBE3A ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Bregnard . A. . . 51655 1 2 Daniel Fairchild . . . . 51655 1 3 Xiang Chen . . . . 51655 1 4 Heidi Erlandsen . . . . 51655 1 5 Kylie Walters . J. . . 51655 1 6 Dmitry Korzhnev . M. . . 51655 1 7 Irina Bezsonova . . . . 51655 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51655 _Assembly.ID 1 _Assembly.Name 'UBE3A AZUL iso2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10266.97 _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 'polypeptide chain' 1 $entity_1 . . yes native no no . polypeptide . 51655 1 2 zinc 2 $entity_ZN . . no native no no . 'structural zinc' . 51655 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 CYS 47 47 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51655 1 2 'metal coordination' single . 1 . 1 CYS 52 52 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51655 1 3 'metal coordination' single . 1 . 1 CYS 57 57 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51655 1 4 'metal coordination' single . 1 . 1 CYS 86 86 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51655 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ubiquitin ligase; proteasome interaction' 51655 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51655 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMEKLHQCYWKSGEPQSD DIEASRMKRAAAKHLIERYY HQLTEGCGNEACTNEFCASC PTFLRMDNNAAAIKALELYK INAKLCDPHP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 4,M _Entity.Polymer_author_seq_details ; Residues 1-3 are left over from tag cleavage. Residues 4-90 comprise the extended AZUL domain of UBE3A isoform 2. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10201.56 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin ligase; proteasome binding' 51655 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 . GLY . 51655 1 2 . SER . 51655 1 3 . HIS . 51655 1 4 . MET . 51655 1 5 . GLU . 51655 1 6 . LYS . 51655 1 7 . LEU . 51655 1 8 . HIS . 51655 1 9 . GLN . 51655 1 10 . CYS . 51655 1 11 . TYR . 51655 1 12 . TRP . 51655 1 13 . LYS . 51655 1 14 . SER . 51655 1 15 . GLY . 51655 1 16 . GLU . 51655 1 17 . PRO . 51655 1 18 . GLN . 51655 1 19 . SER . 51655 1 20 . ASP . 51655 1 21 . ASP . 51655 1 22 . ILE . 51655 1 23 . GLU . 51655 1 24 . ALA . 51655 1 25 . SER . 51655 1 26 . ARG . 51655 1 27 . MET . 51655 1 28 . LYS . 51655 1 29 . ARG . 51655 1 30 . ALA . 51655 1 31 . ALA . 51655 1 32 . ALA . 51655 1 33 . LYS . 51655 1 34 . HIS . 51655 1 35 . LEU . 51655 1 36 . ILE . 51655 1 37 . GLU . 51655 1 38 . ARG . 51655 1 39 . TYR . 51655 1 40 . TYR . 51655 1 41 . HIS . 51655 1 42 . GLN . 51655 1 43 . LEU . 51655 1 44 . THR . 51655 1 45 . GLU . 51655 1 46 . GLY . 51655 1 47 . CYS . 51655 1 48 . GLY . 51655 1 49 . ASN . 51655 1 50 . GLU . 51655 1 51 . ALA . 51655 1 52 . CYS . 51655 1 53 . THR . 51655 1 54 . ASN . 51655 1 55 . GLU . 51655 1 56 . PHE . 51655 1 57 . CYS . 51655 1 58 . ALA . 51655 1 59 . SER . 51655 1 60 . CYS . 51655 1 61 . PRO . 51655 1 62 . THR . 51655 1 63 . PHE . 51655 1 64 . LEU . 51655 1 65 . ARG . 51655 1 66 . MET . 51655 1 67 . ASP . 51655 1 68 . ASN . 51655 1 69 . ASN . 51655 1 70 . ALA . 51655 1 71 . ALA . 51655 1 72 . ALA . 51655 1 73 . ILE . 51655 1 74 . LYS . 51655 1 75 . ALA . 51655 1 76 . LEU . 51655 1 77 . GLU . 51655 1 78 . LEU . 51655 1 79 . TYR . 51655 1 80 . LYS . 51655 1 81 . ILE . 51655 1 82 . ASN . 51655 1 83 . ALA . 51655 1 84 . LYS . 51655 1 85 . LEU . 51655 1 86 . CYS . 51655 1 87 . ASP . 51655 1 88 . PRO . 51655 1 89 . HIS . 51655 1 90 . PRO . 51655 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51655 1 . SER 2 2 51655 1 . HIS 3 3 51655 1 . MET 4 4 51655 1 . GLU 5 5 51655 1 . LYS 6 6 51655 1 . LEU 7 7 51655 1 . HIS 8 8 51655 1 . GLN 9 9 51655 1 . CYS 10 10 51655 1 . TYR 11 11 51655 1 . TRP 12 12 51655 1 . LYS 13 13 51655 1 . SER 14 14 51655 1 . GLY 15 15 51655 1 . GLU 16 16 51655 1 . PRO 17 17 51655 1 . GLN 18 18 51655 1 . SER 19 19 51655 1 . ASP 20 20 51655 1 . ASP 21 21 51655 1 . ILE 22 22 51655 1 . GLU 23 23 51655 1 . ALA 24 24 51655 1 . SER 25 25 51655 1 . ARG 26 26 51655 1 . MET 27 27 51655 1 . LYS 28 28 51655 1 . ARG 29 29 51655 1 . ALA 30 30 51655 1 . ALA 31 31 51655 1 . ALA 32 32 51655 1 . LYS 33 33 51655 1 . HIS 34 34 51655 1 . LEU 35 35 51655 1 . ILE 36 36 51655 1 . GLU 37 37 51655 1 . ARG 38 38 51655 1 . TYR 39 39 51655 1 . TYR 40 40 51655 1 . HIS 41 41 51655 1 . GLN 42 42 51655 1 . LEU 43 43 51655 1 . THR 44 44 51655 1 . GLU 45 45 51655 1 . GLY 46 46 51655 1 . CYS 47 47 51655 1 . GLY 48 48 51655 1 . ASN 49 49 51655 1 . GLU 50 50 51655 1 . ALA 51 51 51655 1 . CYS 52 52 51655 1 . THR 53 53 51655 1 . ASN 54 54 51655 1 . GLU 55 55 51655 1 . PHE 56 56 51655 1 . CYS 57 57 51655 1 . ALA 58 58 51655 1 . SER 59 59 51655 1 . CYS 60 60 51655 1 . PRO 61 61 51655 1 . THR 62 62 51655 1 . PHE 63 63 51655 1 . LEU 64 64 51655 1 . ARG 65 65 51655 1 . MET 66 66 51655 1 . ASP 67 67 51655 1 . ASN 68 68 51655 1 . ASN 69 69 51655 1 . ALA 70 70 51655 1 . ALA 71 71 51655 1 . ALA 72 72 51655 1 . ILE 73 73 51655 1 . LYS 74 74 51655 1 . ALA 75 75 51655 1 . LEU 76 76 51655 1 . GLU 77 77 51655 1 . LEU 78 78 51655 1 . TYR 79 79 51655 1 . LYS 80 80 51655 1 . ILE 81 81 51655 1 . ASN 82 82 51655 1 . ALA 83 83 51655 1 . LYS 84 84 51655 1 . LEU 85 85 51655 1 . CYS 86 86 51655 1 . ASP 87 87 51655 1 . PRO 88 88 51655 1 . HIS 89 89 51655 1 . PRO 90 90 51655 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51655 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 51655 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 51655 2 ZN 'Three letter code' 51655 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 51655 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51655 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . UBE3A . 51655 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51655 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pET28b+ . . . 51655 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 51655 _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 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _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 51655 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51655 ZN [Zn++] SMILES CACTVS 3.341 51655 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51655 ZN [Zn+2] SMILES ACDLabs 10.04 51655 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51655 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51655 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 51655 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51655 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 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51655 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51655 _Sample.ID 1 _Sample.Name 'UBE3A AZUL iso2 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBE3A AZUL iso2' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.8 . . mM . . . . 51655 1 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 51655 1 3 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 51655 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 51655 1 5 'zinc sulfate' 'natural abundance' . . . . . . 10 . . uM . . . . 51655 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 51655 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'UBE3A iso2 structure determination' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 51655 1 pressure 1 . atm 51655 1 temperature 298 . K 51655 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51655 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51655 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51655 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51655 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51655 _Software.ID 3 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 51655 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51655 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 51655 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51655 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 51655 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51655 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51655 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 2 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 3 '3D HNCA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 4 '3D HN(CO)CA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 5 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 6 '3D CBCA(CO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 7 '3D HBHA(CO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 8 '2D 1H-13C HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 9 '3D CCH-TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 10 '3D HCCH-TOCSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 11 '3D 1H-15N NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 12 '3D 1H-13C NOESY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51655 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' 'data_ube3a_iso2-Nhsqc.fid.zip' . 'NMR experiment directory' . . 51655 1 2 '3D HNCO' 'data_ube3a_iso2-HNCO.fid.zip' . 'NMR experiment directory' . . 51655 1 3 '3D HNCA' 'data_ube3a_iso2-HNCA.fid.zip' . 'NMR experiment directory' . . 51655 1 4 '3D HN(CO)CA' 'data_ube3a_iso2-HNCOCA.fid.zip' . 'NMR experiment directory' . . 51655 1 5 '3D HNCACB' 'data_ube3a_iso2-HNCACB.fid.zip' . 'NMR experiment directory' . . 51655 1 6 '3D CBCA(CO)NH' 'data_ube3a_iso2-CBCACONH.fid.zip' . 'NMR experiment directory' . . 51655 1 7 '3D HBHA(CO)NH' 'data_ube3a_iso2-HBHACONH.fid.zip' . 'NMR experiment directory' . . 51655 1 8 '2D 1H-13C HSQC' 'data_ube3a_iso2-Chsqc-25C-800RT-122017.fid.zip' . 'NMR experiment directory' . . 51655 1 9 '3D CCH-TOCSY' 'data_ube3a_iso2-CCHTOCSY-25C-800RT_010218.fid.zip' . 'NMR experiment directory' . . 51655 1 10 '3D HCCH-TOCSY' 'data_ube3a_iso2-HCCHTOCSY-25C-800RT_011118.fid.zip' . 'NMR experiment directory' . . 51655 1 11 '3D 1H-15N NOESY' 'data_ube3a_iso2-15NNOESY-25C-800RT_011118.fid.zip' . 'NMR experiment directory' . . 51655 1 12 '3D 1H-13C NOESY' 'data_ube3a_iso2-13CNOESY-25C-800RT_011118.fid.zip' . 'NMR experiment directory' . . 51655 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51655 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site 'UConn Health' _Computing_platform.Site_reference_ID . _Computing_platform.Details 'used for data processing, assignment, and structure calculation and refinement' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51655 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect . . . . . . 51655 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51655 1 N 15 water protons . . . . ppm 4.773 internal indirect . . . . . . 51655 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51655 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'UBE3A iso2 shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 51655 1 2 '3D HNCO' . . . 51655 1 3 '3D HNCA' . . . 51655 1 4 '3D HN(CO)CA' . . . 51655 1 5 '3D HNCACB' . . . 51655 1 6 '3D CBCA(CO)NH' . . . 51655 1 7 '3D HBHA(CO)NH' . . . 51655 1 8 '2D 1H-13C HSQC' . . . 51655 1 9 '3D CCH-TOCSY' . . . 51655 1 10 '3D HCCH-TOCSY' . . . 51655 1 11 '3D 1H-15N NOESY' . . . 51655 1 12 '3D 1H-13C NOESY' . . . 51655 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51655 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS HA H 1 4.705 0.00 . . . . . . . 3 HIS HA . 51655 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.209 0.00 . . . . . . . 3 HIS HB2 . 51655 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.264 0.00 . . . . . . . 3 HIS HB3 . 51655 1 4 . 1 . 1 3 3 HIS C C 13 174.925 0.00 . . . . . . . 3 HIS C . 51655 1 5 . 1 . 1 3 3 HIS CA C 13 56.317 0.00 . . . . . . . 3 HIS CA . 51655 1 6 . 1 . 1 3 3 HIS CB C 13 29.556 0.02 . . . . . . . 3 HIS CB . 51655 1 7 . 1 . 1 4 4 MET H H 1 8.411 0.00 . . . . . . . 4 MET H . 51655 1 8 . 1 . 1 4 4 MET HA H 1 4.416 0.00 . . . . . . . 4 MET HA . 51655 1 9 . 1 . 1 4 4 MET HB2 H 1 2.055 0.00 . . . . . . . 4 MET HB2 . 51655 1 10 . 1 . 1 4 4 MET HB3 H 1 1.974 0.00 . . . . . . . 4 MET HB3 . 51655 1 11 . 1 . 1 4 4 MET HG2 H 1 2.556 0.00 . . . . . . . 4 MET HG2 . 51655 1 12 . 1 . 1 4 4 MET HG3 H 1 2.478 0.00 . . . . . . . 4 MET HG3 . 51655 1 13 . 1 . 1 4 4 MET HE1 H 1 2.088 0.00 . . . . . . . 4 MET HE . 51655 1 14 . 1 . 1 4 4 MET HE2 H 1 2.088 0.00 . . . . . . . 4 MET HE . 51655 1 15 . 1 . 1 4 4 MET HE3 H 1 2.088 0.00 . . . . . . . 4 MET HE . 51655 1 16 . 1 . 1 4 4 MET C C 13 176.338 0.00 . . . . . . . 4 MET C . 51655 1 17 . 1 . 1 4 4 MET CA C 13 55.901 0.00 . . . . . . . 4 MET CA . 51655 1 18 . 1 . 1 4 4 MET CB C 13 32.802 0.09 . . . . . . . 4 MET CB . 51655 1 19 . 1 . 1 4 4 MET CG C 13 32.151 0.01 . . . . . . . 4 MET CG . 51655 1 20 . 1 . 1 4 4 MET CE C 13 17.149 0.00 . . . . . . . 4 MET CE . 51655 1 21 . 1 . 1 4 4 MET N N 15 121.320 0.04 . . . . . . . 4 MET N . 51655 1 22 . 1 . 1 5 5 GLU H H 1 8.491 0.00 . . . . . . . 5 GLU H . 51655 1 23 . 1 . 1 5 5 GLU HA H 1 4.251 0.00 . . . . . . . 5 GLU HA . 51655 1 24 . 1 . 1 5 5 GLU HB2 H 1 1.974 0.00 . . . . . . . 5 GLU HB2 . 51655 1 25 . 1 . 1 5 5 GLU HB3 H 1 2.051 0.00 . . . . . . . 5 GLU HB3 . 51655 1 26 . 1 . 1 5 5 GLU HG2 H 1 2.296 0.00 . . . . . . . 5 GLU HG2 . 51655 1 27 . 1 . 1 5 5 GLU C C 13 176.714 0.00 . . . . . . . 5 GLU C . 51655 1 28 . 1 . 1 5 5 GLU CA C 13 57.162 0.00 . . . . . . . 5 GLU CA . 51655 1 29 . 1 . 1 5 5 GLU CB C 13 30.186 0.07 . . . . . . . 5 GLU CB . 51655 1 30 . 1 . 1 5 5 GLU CG C 13 36.274 0.00 . . . . . . . 5 GLU CG . 51655 1 31 . 1 . 1 5 5 GLU N N 15 122.232 0.02 . . . . . . . 5 GLU N . 51655 1 32 . 1 . 1 6 6 LYS H H 1 8.268 0.00 . . . . . . . 6 LYS H . 51655 1 33 . 1 . 1 6 6 LYS HA H 1 4.260 0.00 . . . . . . . 6 LYS HA . 51655 1 34 . 1 . 1 6 6 LYS HB2 H 1 1.821 0.00 . . . . . . . 6 LYS HB2 . 51655 1 35 . 1 . 1 6 6 LYS HB3 H 1 1.761 0.00 . . . . . . . 6 LYS HB3 . 51655 1 36 . 1 . 1 6 6 LYS HG2 H 1 1.450 0.00 . . . . . . . 6 LYS HG2 . 51655 1 37 . 1 . 1 6 6 LYS HG3 H 1 1.403 0.00 . . . . . . . 6 LYS HG3 . 51655 1 38 . 1 . 1 6 6 LYS HD2 H 1 1.684 0.00 . . . . . . . 6 LYS HD2 . 51655 1 39 . 1 . 1 6 6 LYS HE2 H 1 3.007 0.00 . . . . . . . 6 LYS HE2 . 51655 1 40 . 1 . 1 6 6 LYS C C 13 176.753 0.00 . . . . . . . 6 LYS C . 51655 1 41 . 1 . 1 6 6 LYS CA C 13 56.797 0.00 . . . . . . . 6 LYS CA . 51655 1 42 . 1 . 1 6 6 LYS CB C 13 32.952 0.05 . . . . . . . 6 LYS CB . 51655 1 43 . 1 . 1 6 6 LYS CG C 13 25.011 0.01 . . . . . . . 6 LYS CG . 51655 1 44 . 1 . 1 6 6 LYS CD C 13 29.251 0.00 . . . . . . . 6 LYS CD . 51655 1 45 . 1 . 1 6 6 LYS CE C 13 42.325 0.00 . . . . . . . 6 LYS CE . 51655 1 46 . 1 . 1 6 6 LYS N N 15 121.701 0.03 . . . . . . . 6 LYS N . 51655 1 47 . 1 . 1 7 7 LEU H H 1 8.090 0.00 . . . . . . . 7 LEU H . 51655 1 48 . 1 . 1 7 7 LEU HA H 1 4.241 0.00 . . . . . . . 7 LEU HA . 51655 1 49 . 1 . 1 7 7 LEU HB2 H 1 1.588 0.00 . . . . . . . 7 LEU HB2 . 51655 1 50 . 1 . 1 7 7 LEU HB3 H 1 1.414 0.00 . . . . . . . 7 LEU HB3 . 51655 1 51 . 1 . 1 7 7 LEU HG H 1 1.530 0.00 . . . . . . . 7 LEU HG . 51655 1 52 . 1 . 1 7 7 LEU HD11 H 1 0.868 0.00 . . . . . . . 7 LEU HD1 . 51655 1 53 . 1 . 1 7 7 LEU HD12 H 1 0.868 0.00 . . . . . . . 7 LEU HD1 . 51655 1 54 . 1 . 1 7 7 LEU HD13 H 1 0.868 0.00 . . . . . . . 7 LEU HD1 . 51655 1 55 . 1 . 1 7 7 LEU HD21 H 1 0.814 0.00 . . . . . . . 7 LEU HD2 . 51655 1 56 . 1 . 1 7 7 LEU HD22 H 1 0.814 0.00 . . . . . . . 7 LEU HD2 . 51655 1 57 . 1 . 1 7 7 LEU HD23 H 1 0.814 0.00 . . . . . . . 7 LEU HD2 . 51655 1 58 . 1 . 1 7 7 LEU C C 13 177.359 0.00 . . . . . . . 7 LEU C . 51655 1 59 . 1 . 1 7 7 LEU CA C 13 55.684 0.00 . . . . . . . 7 LEU CA . 51655 1 60 . 1 . 1 7 7 LEU CB C 13 42.326 0.00 . . . . . . . 7 LEU CB . 51655 1 61 . 1 . 1 7 7 LEU CG C 13 26.880 0.00 . . . . . . . 7 LEU CG . 51655 1 62 . 1 . 1 7 7 LEU CD1 C 13 25.017 0.00 . . . . . . . 7 LEU CD1 . 51655 1 63 . 1 . 1 7 7 LEU CD2 C 13 23.645 0.00 . . . . . . . 7 LEU CD2 . 51655 1 64 . 1 . 1 7 7 LEU N N 15 122.017 0.03 . . . . . . . 7 LEU N . 51655 1 65 . 1 . 1 8 8 HIS H H 1 8.354 0.00 . . . . . . . 8 HIS H . 51655 1 66 . 1 . 1 8 8 HIS HA H 1 4.626 0.00 . . . . . . . 8 HIS HA . 51655 1 67 . 1 . 1 8 8 HIS HB2 H 1 3.161 0.00 . . . . . . . 8 HIS HB2 . 51655 1 68 . 1 . 1 8 8 HIS C C 13 174.757 0.00 . . . . . . . 8 HIS C . 51655 1 69 . 1 . 1 8 8 HIS CA C 13 55.947 0.00 . . . . . . . 8 HIS CA . 51655 1 70 . 1 . 1 8 8 HIS CB C 13 29.679 0.00 . . . . . . . 8 HIS CB . 51655 1 71 . 1 . 1 8 8 HIS N N 15 118.804 0.02 . . . . . . . 8 HIS N . 51655 1 72 . 1 . 1 9 9 GLN H H 1 8.281 0.00 . . . . . . . 9 GLN H . 51655 1 73 . 1 . 1 9 9 GLN HA H 1 4.218 0.00 . . . . . . . 9 GLN HA . 51655 1 74 . 1 . 1 9 9 GLN HB2 H 1 1.960 0.00 . . . . . . . 9 GLN HB2 . 51655 1 75 . 1 . 1 9 9 GLN HG2 H 1 2.276 0.00 . . . . . . . 9 GLN HG2 . 51655 1 76 . 1 . 1 9 9 GLN HG3 H 1 2.276 0.00 . . . . . . . 9 GLN HG3 . 51655 1 77 . 1 . 1 9 9 GLN HE21 H 1 7.486 0.00 . . . . . . . 9 GLN HE21 . 51655 1 78 . 1 . 1 9 9 GLN HE22 H 1 6.865 0.00 . . . . . . . 9 GLN HE22 . 51655 1 79 . 1 . 1 9 9 GLN C C 13 175.812 0.00 . . . . . . . 9 GLN C . 51655 1 80 . 1 . 1 9 9 GLN CA C 13 56.250 0.00 . . . . . . . 9 GLN CA . 51655 1 81 . 1 . 1 9 9 GLN CB C 13 29.642 0.00 . . . . . . . 9 GLN CB . 51655 1 82 . 1 . 1 9 9 GLN CG C 13 33.859 0.00 . . . . . . . 9 GLN CG . 51655 1 83 . 1 . 1 9 9 GLN N N 15 120.739 0.04 . . . . . . . 9 GLN N . 51655 1 84 . 1 . 1 9 9 GLN NE2 N 15 112.317 0.02 . . . . . . . 9 GLN NE2 . 51655 1 85 . 1 . 1 10 10 CYS H H 1 8.364 0.00 . . . . . . . 10 CYS H . 51655 1 86 . 1 . 1 10 10 CYS HA H 1 4.318 0.00 . . . . . . . 10 CYS HA . 51655 1 87 . 1 . 1 10 10 CYS HB2 H 1 2.740 0.00 . . . . . . . 10 CYS HB2 . 51655 1 88 . 1 . 1 10 10 CYS HB3 H 1 2.642 0.00 . . . . . . . 10 CYS HB3 . 51655 1 89 . 1 . 1 10 10 CYS C C 13 174.456 0.00 . . . . . . . 10 CYS C . 51655 1 90 . 1 . 1 10 10 CYS CA C 13 58.796 0.00 . . . . . . . 10 CYS CA . 51655 1 91 . 1 . 1 10 10 CYS CB C 13 27.917 0.00 . . . . . . . 10 CYS CB . 51655 1 92 . 1 . 1 10 10 CYS N N 15 119.724 0.02 . . . . . . . 10 CYS N . 51655 1 93 . 1 . 1 11 11 TYR H H 1 8.076 0.00 . . . . . . . 11 TYR H . 51655 1 94 . 1 . 1 11 11 TYR HA H 1 4.524 0.00 . . . . . . . 11 TYR HA . 51655 1 95 . 1 . 1 11 11 TYR HB2 H 1 2.867 0.00 . . . . . . . 11 TYR HB2 . 51655 1 96 . 1 . 1 11 11 TYR HB3 H 1 2.956 0.00 . . . . . . . 11 TYR HB3 . 51655 1 97 . 1 . 1 11 11 TYR HD1 H 1 7.016 0.00 . . . . . . . 11 TYR HD1 . 51655 1 98 . 1 . 1 11 11 TYR HE1 H 1 6.771 0.00 . . . . . . . 11 TYR HE1 . 51655 1 99 . 1 . 1 11 11 TYR HE2 H 1 6.771 0.00 . . . . . . . 11 TYR HE2 . 51655 1 100 . 1 . 1 11 11 TYR C C 13 175.861 0.00 . . . . . . . 11 TYR C . 51655 1 101 . 1 . 1 11 11 TYR CA C 13 58.425 0.00 . . . . . . . 11 TYR CA . 51655 1 102 . 1 . 1 11 11 TYR CB C 13 38.801 0.01 . . . . . . . 11 TYR CB . 51655 1 103 . 1 . 1 11 11 TYR CD1 C 13 133.270 0.00 . . . . . . . 11 TYR CD1 . 51655 1 104 . 1 . 1 11 11 TYR CE1 C 13 118.113 0.00 . . . . . . . 11 TYR CE1 . 51655 1 105 . 1 . 1 11 11 TYR CE2 C 13 118.553 0.00 . . . . . . . 11 TYR CE2 . 51655 1 106 . 1 . 1 11 11 TYR N N 15 122.045 0.02 . . . . . . . 11 TYR N . 51655 1 107 . 1 . 1 12 12 TRP H H 1 7.860 0.03 . . . . . . . 12 TRP H . 51655 1 108 . 1 . 1 12 12 TRP HA H 1 4.668 0.00 . . . . . . . 12 TRP HA . 51655 1 109 . 1 . 1 12 12 TRP HB2 H 1 3.210 0.00 . . . . . . . 12 TRP HB2 . 51655 1 110 . 1 . 1 12 12 TRP HD1 H 1 7.180 0.00 . . . . . . . 12 TRP HD1 . 51655 1 111 . 1 . 1 12 12 TRP HE1 H 1 10.193 0.00 . . . . . . . 12 TRP HE1 . 51655 1 112 . 1 . 1 12 12 TRP HE3 H 1 7.179 0.00 . . . . . . . 12 TRP HE3 . 51655 1 113 . 1 . 1 12 12 TRP HZ2 H 1 7.445 0.00 . . . . . . . 12 TRP HZ2 . 51655 1 114 . 1 . 1 12 12 TRP HH2 H 1 7.172 0.00 . . . . . . . 12 TRP HH2 . 51655 1 115 . 1 . 1 12 12 TRP C C 13 175.879 0.00 . . . . . . . 12 TRP C . 51655 1 116 . 1 . 1 12 12 TRP CA C 13 57.271 0.00 . . . . . . . 12 TRP CA . 51655 1 117 . 1 . 1 12 12 TRP CB C 13 29.633 0.00 . . . . . . . 12 TRP CB . 51655 1 118 . 1 . 1 12 12 TRP CD1 C 13 127.438 0.00 . . . . . . . 12 TRP CD1 . 51655 1 119 . 1 . 1 12 12 TRP CE3 C 13 126.919 0.00 . . . . . . . 12 TRP CE3 . 51655 1 120 . 1 . 1 12 12 TRP CZ2 C 13 114.622 0.00 . . . . . . . 12 TRP CZ2 . 51655 1 121 . 1 . 1 12 12 TRP CH2 C 13 124.692 0.00 . . . . . . . 12 TRP CH2 . 51655 1 122 . 1 . 1 12 12 TRP N N 15 121.713 0.06 . . . . . . . 12 TRP N . 51655 1 123 . 1 . 1 12 12 TRP NE1 N 15 129.633 0.00 . . . . . . . 12 TRP NE1 . 51655 1 124 . 1 . 1 13 13 LYS H H 1 7.966 0.02 . . . . . . . 13 LYS H . 51655 1 125 . 1 . 1 13 13 LYS HA H 1 4.237 0.00 . . . . . . . 13 LYS HA . 51655 1 126 . 1 . 1 13 13 LYS HB2 H 1 1.757 0.00 . . . . . . . 13 LYS HB2 . 51655 1 127 . 1 . 1 13 13 LYS HB3 H 1 1.604 0.00 . . . . . . . 13 LYS HB3 . 51655 1 128 . 1 . 1 13 13 LYS HG2 H 1 1.259 0.00 . . . . . . . 13 LYS HG2 . 51655 1 129 . 1 . 1 13 13 LYS HD2 H 1 1.629 0.00 . . . . . . . 13 LYS HD2 . 51655 1 130 . 1 . 1 13 13 LYS HE2 H 1 2.949 0.00 . . . . . . . 13 LYS HE2 . 51655 1 131 . 1 . 1 13 13 LYS C C 13 176.221 0.00 . . . . . . . 13 LYS C . 51655 1 132 . 1 . 1 13 13 LYS CA C 13 56.556 0.00 . . . . . . . 13 LYS CA . 51655 1 133 . 1 . 1 13 13 LYS CB C 13 33.276 0.01 . . . . . . . 13 LYS CB . 51655 1 134 . 1 . 1 13 13 LYS CG C 13 24.771 0.00 . . . . . . . 13 LYS CG . 51655 1 135 . 1 . 1 13 13 LYS CD C 13 29.280 0.00 . . . . . . . 13 LYS CD . 51655 1 136 . 1 . 1 13 13 LYS CE C 13 42.230 0.00 . . . . . . . 13 LYS CE . 51655 1 137 . 1 . 1 13 13 LYS N N 15 123.056 0.05 . . . . . . . 13 LYS N . 51655 1 138 . 1 . 1 14 14 SER H H 1 8.211 0.00 . . . . . . . 14 SER H . 51655 1 139 . 1 . 1 14 14 SER HA H 1 4.318 0.00 . . . . . . . 14 SER HA . 51655 1 140 . 1 . 1 14 14 SER HB2 H 1 3.897 0.00 . . . . . . . 14 SER HB2 . 51655 1 141 . 1 . 1 14 14 SER HB3 H 1 3.852 0.00 . . . . . . . 14 SER HB3 . 51655 1 142 . 1 . 1 14 14 SER C C 13 175.049 0.00 . . . . . . . 14 SER C . 51655 1 143 . 1 . 1 14 14 SER CA C 13 58.796 0.00 . . . . . . . 14 SER CA . 51655 1 144 . 1 . 1 14 14 SER CB C 13 64.128 0.01 . . . . . . . 14 SER CB . 51655 1 145 . 1 . 1 14 14 SER N N 15 116.606 0.07 . . . . . . . 14 SER N . 51655 1 146 . 1 . 1 15 15 GLY H H 1 8.398 0.00 . . . . . . . 15 GLY H . 51655 1 147 . 1 . 1 15 15 GLY HA2 H 1 4.001 0.00 . . . . . . . 15 GLY HA2 . 51655 1 148 . 1 . 1 15 15 GLY HA3 H 1 3.968 0.00 . . . . . . . 15 GLY HA3 . 51655 1 149 . 1 . 1 15 15 GLY C C 13 173.750 0.00 . . . . . . . 15 GLY C . 51655 1 150 . 1 . 1 15 15 GLY CA C 13 45.282 0.00 . . . . . . . 15 GLY CA . 51655 1 151 . 1 . 1 15 15 GLY N N 15 110.858 0.02 . . . . . . . 15 GLY N . 51655 1 152 . 1 . 1 16 16 GLU H H 1 8.125 0.00 . . . . . . . 16 GLU H . 51655 1 153 . 1 . 1 16 16 GLU HA H 1 4.577 0.00 . . . . . . . 16 GLU HA . 51655 1 154 . 1 . 1 16 16 GLU HB2 H 1 2.051 0.00 . . . . . . . 16 GLU HB2 . 51655 1 155 . 1 . 1 16 16 GLU HB3 H 1 1.878 0.00 . . . . . . . 16 GLU HB3 . 51655 1 156 . 1 . 1 16 16 GLU HG2 H 1 2.271 0.00 . . . . . . . 16 GLU HG2 . 51655 1 157 . 1 . 1 16 16 GLU CA C 13 54.370 0.00 . . . . . . . 16 GLU CA . 51655 1 158 . 1 . 1 16 16 GLU CB C 13 29.780 0.00 . . . . . . . 16 GLU CB . 51655 1 159 . 1 . 1 16 16 GLU CG C 13 36.044 0.00 . . . . . . . 16 GLU CG . 51655 1 160 . 1 . 1 16 16 GLU N N 15 121.397 0.01 . . . . . . . 16 GLU N . 51655 1 161 . 1 . 1 17 17 PRO HA H 1 4.368 0.00 . . . . . . . 17 PRO HA . 51655 1 162 . 1 . 1 17 17 PRO HB2 H 1 2.244 0.00 . . . . . . . 17 PRO HB2 . 51655 1 163 . 1 . 1 17 17 PRO HB3 H 1 1.886 0.00 . . . . . . . 17 PRO HB3 . 51655 1 164 . 1 . 1 17 17 PRO HG2 H 1 2.025 0.00 . . . . . . . 17 PRO HG2 . 51655 1 165 . 1 . 1 17 17 PRO HG3 H 1 1.934 0.00 . . . . . . . 17 PRO HG3 . 51655 1 166 . 1 . 1 17 17 PRO HD2 H 1 3.741 0.00 . . . . . . . 17 PRO HD2 . 51655 1 167 . 1 . 1 17 17 PRO HD3 H 1 3.674 0.00 . . . . . . . 17 PRO HD3 . 51655 1 168 . 1 . 1 17 17 PRO C C 13 176.907 0.00 . . . . . . . 17 PRO C . 51655 1 169 . 1 . 1 17 17 PRO CA C 13 63.404 0.00 . . . . . . . 17 PRO CA . 51655 1 170 . 1 . 1 17 17 PRO CB C 13 32.216 0.01 . . . . . . . 17 PRO CB . 51655 1 171 . 1 . 1 17 17 PRO CG C 13 27.508 0.05 . . . . . . . 17 PRO CG . 51655 1 172 . 1 . 1 17 17 PRO CD C 13 50.662 0.02 . . . . . . . 17 PRO CD . 51655 1 173 . 1 . 1 18 18 GLN H H 1 8.535 0.00 . . . . . . . 18 GLN H . 51655 1 174 . 1 . 1 18 18 GLN HA H 1 4.341 0.00 . . . . . . . 18 GLN HA . 51655 1 175 . 1 . 1 18 18 GLN HB2 H 1 2.140 0.00 . . . . . . . 18 GLN HB2 . 51655 1 176 . 1 . 1 18 18 GLN HB3 H 1 1.960 0.00 . . . . . . . 18 GLN HB3 . 51655 1 177 . 1 . 1 18 18 GLN HG2 H 1 2.358 0.00 . . . . . . . 18 GLN HG2 . 51655 1 178 . 1 . 1 18 18 GLN HG3 H 1 2.358 0.00 . . . . . . . 18 GLN HG3 . 51655 1 179 . 1 . 1 18 18 GLN HE21 H 1 7.516 0.00 . . . . . . . 18 GLN HE21 . 51655 1 180 . 1 . 1 18 18 GLN HE22 H 1 6.855 0.00 . . . . . . . 18 GLN HE22 . 51655 1 181 . 1 . 1 18 18 GLN C C 13 176.146 0.00 . . . . . . . 18 GLN C . 51655 1 182 . 1 . 1 18 18 GLN CA C 13 55.744 0.00 . . . . . . . 18 GLN CA . 51655 1 183 . 1 . 1 18 18 GLN CB C 13 29.584 0.06 . . . . . . . 18 GLN CB . 51655 1 184 . 1 . 1 18 18 GLN CG C 13 33.998 0.00 . . . . . . . 18 GLN CG . 51655 1 185 . 1 . 1 18 18 GLN N N 15 120.614 0.02 . . . . . . . 18 GLN N . 51655 1 186 . 1 . 1 18 18 GLN NE2 N 15 112.918 0.01 . . . . . . . 18 GLN NE2 . 51655 1 187 . 1 . 1 19 19 SER H H 1 8.319 0.00 . . . . . . . 19 SER H . 51655 1 188 . 1 . 1 19 19 SER HA H 1 4.443 0.00 . . . . . . . 19 SER HA . 51655 1 189 . 1 . 1 19 19 SER HB2 H 1 3.936 0.00 . . . . . . . 19 SER HB2 . 51655 1 190 . 1 . 1 19 19 SER HB3 H 1 3.852 0.00 . . . . . . . 19 SER HB3 . 51655 1 191 . 1 . 1 19 19 SER C C 13 174.468 0.00 . . . . . . . 19 SER C . 51655 1 192 . 1 . 1 19 19 SER CA C 13 58.666 0.00 . . . . . . . 19 SER CA . 51655 1 193 . 1 . 1 19 19 SER CB C 13 64.132 0.00 . . . . . . . 19 SER CB . 51655 1 194 . 1 . 1 19 19 SER N N 15 116.947 0.03 . . . . . . . 19 SER N . 51655 1 195 . 1 . 1 20 20 ASP H H 1 8.477 0.00 . . . . . . . 20 ASP H . 51655 1 196 . 1 . 1 20 20 ASP HA H 1 4.641 0.00 . . . . . . . 20 ASP HA . 51655 1 197 . 1 . 1 20 20 ASP HB2 H 1 2.731 0.00 . . . . . . . 20 ASP HB2 . 51655 1 198 . 1 . 1 20 20 ASP HB3 H 1 2.680 0.00 . . . . . . . 20 ASP HB3 . 51655 1 199 . 1 . 1 20 20 ASP C C 13 176.205 0.00 . . . . . . . 20 ASP C . 51655 1 200 . 1 . 1 20 20 ASP CA C 13 54.804 0.00 . . . . . . . 20 ASP CA . 51655 1 201 . 1 . 1 20 20 ASP CB C 13 41.215 0.02 . . . . . . . 20 ASP CB . 51655 1 202 . 1 . 1 20 20 ASP N N 15 122.170 0.00 . . . . . . . 20 ASP N . 51655 1 203 . 1 . 1 21 21 ASP H H 1 8.264 0.00 . . . . . . . 21 ASP H . 51655 1 204 . 1 . 1 21 21 ASP HA H 1 4.641 0.00 . . . . . . . 21 ASP HA . 51655 1 205 . 1 . 1 21 21 ASP HB2 H 1 2.779 0.00 . . . . . . . 21 ASP HB2 . 51655 1 206 . 1 . 1 21 21 ASP HB3 H 1 2.680 0.00 . . . . . . . 21 ASP HB3 . 51655 1 207 . 1 . 1 21 21 ASP C C 13 177.039 0.00 . . . . . . . 21 ASP C . 51655 1 208 . 1 . 1 21 21 ASP CA C 13 54.804 0.00 . . . . . . . 21 ASP CA . 51655 1 209 . 1 . 1 21 21 ASP CB C 13 41.267 0.03 . . . . . . . 21 ASP CB . 51655 1 210 . 1 . 1 21 21 ASP N N 15 120.602 0.03 . . . . . . . 21 ASP N . 51655 1 211 . 1 . 1 22 22 ILE H H 1 8.105 0.00 . . . . . . . 22 ILE H . 51655 1 212 . 1 . 1 22 22 ILE HA H 1 4.030 0.00 . . . . . . . 22 ILE HA . 51655 1 213 . 1 . 1 22 22 ILE HB H 1 1.985 0.00 . . . . . . . 22 ILE HB . 51655 1 214 . 1 . 1 22 22 ILE HG12 H 1 1.535 0.00 . . . . . . . 22 ILE HG12 . 51655 1 215 . 1 . 1 22 22 ILE HG13 H 1 1.269 0.00 . . . . . . . 22 ILE HG13 . 51655 1 216 . 1 . 1 22 22 ILE HG21 H 1 0.961 0.00 . . . . . . . 22 ILE HG2 . 51655 1 217 . 1 . 1 22 22 ILE HG22 H 1 0.961 0.00 . . . . . . . 22 ILE HG2 . 51655 1 218 . 1 . 1 22 22 ILE HG23 H 1 0.961 0.00 . . . . . . . 22 ILE HG2 . 51655 1 219 . 1 . 1 22 22 ILE HD11 H 1 0.907 0.00 . . . . . . . 22 ILE HD1 . 51655 1 220 . 1 . 1 22 22 ILE HD12 H 1 0.907 0.00 . . . . . . . 22 ILE HD1 . 51655 1 221 . 1 . 1 22 22 ILE HD13 H 1 0.907 0.00 . . . . . . . 22 ILE HD1 . 51655 1 222 . 1 . 1 22 22 ILE C C 13 177.653 0.00 . . . . . . . 22 ILE C . 51655 1 223 . 1 . 1 22 22 ILE CA C 13 63.081 0.00 . . . . . . . 22 ILE CA . 51655 1 224 . 1 . 1 22 22 ILE CB C 13 38.321 0.00 . . . . . . . 22 ILE CB . 51655 1 225 . 1 . 1 22 22 ILE CG1 C 13 28.099 0.01 . . . . . . . 22 ILE CG1 . 51655 1 226 . 1 . 1 22 22 ILE CG2 C 13 17.676 0.00 . . . . . . . 22 ILE CG2 . 51655 1 227 . 1 . 1 22 22 ILE CD1 C 13 13.122 0.00 . . . . . . . 22 ILE CD1 . 51655 1 228 . 1 . 1 22 22 ILE N N 15 122.032 0.00 . . . . . . . 22 ILE N . 51655 1 229 . 1 . 1 23 23 GLU H H 1 8.409 0.00 . . . . . . . 23 GLU H . 51655 1 230 . 1 . 1 23 23 GLU HA H 1 4.197 0.00 . . . . . . . 23 GLU HA . 51655 1 231 . 1 . 1 23 23 GLU HB2 H 1 2.086 0.00 . . . . . . . 23 GLU HB2 . 51655 1 232 . 1 . 1 23 23 GLU HG2 H 1 2.342 0.00 . . . . . . . 23 GLU HG2 . 51655 1 233 . 1 . 1 23 23 GLU HG3 H 1 2.342 0.00 . . . . . . . 23 GLU HG3 . 51655 1 234 . 1 . 1 23 23 GLU C C 13 178.098 0.00 . . . . . . . 23 GLU C . 51655 1 235 . 1 . 1 23 23 GLU CA C 13 58.584 0.00 . . . . . . . 23 GLU CA . 51655 1 236 . 1 . 1 23 23 GLU CB C 13 29.523 0.00 . . . . . . . 23 GLU CB . 51655 1 237 . 1 . 1 23 23 GLU CG C 13 36.283 0.00 . . . . . . . 23 GLU CG . 51655 1 238 . 1 . 1 23 23 GLU N N 15 122.868 0.03 . . . . . . . 23 GLU N . 51655 1 239 . 1 . 1 24 24 ALA H H 1 8.274 0.00 . . . . . . . 24 ALA H . 51655 1 240 . 1 . 1 24 24 ALA HA H 1 4.219 0.00 . . . . . . . 24 ALA HA . 51655 1 241 . 1 . 1 24 24 ALA HB1 H 1 1.493 0.00 . . . . . . . 24 ALA HB . 51655 1 242 . 1 . 1 24 24 ALA HB2 H 1 1.493 0.00 . . . . . . . 24 ALA HB . 51655 1 243 . 1 . 1 24 24 ALA HB3 H 1 1.493 0.00 . . . . . . . 24 ALA HB . 51655 1 244 . 1 . 1 24 24 ALA C C 13 179.970 0.00 . . . . . . . 24 ALA C . 51655 1 245 . 1 . 1 24 24 ALA CA C 13 54.682 0.00 . . . . . . . 24 ALA CA . 51655 1 246 . 1 . 1 24 24 ALA CB C 13 18.666 0.00 . . . . . . . 24 ALA CB . 51655 1 247 . 1 . 1 24 24 ALA N N 15 122.764 0.03 . . . . . . . 24 ALA N . 51655 1 248 . 1 . 1 25 25 SER H H 1 8.137 0.00 . . . . . . . 25 SER H . 51655 1 249 . 1 . 1 25 25 SER HA H 1 4.328 0.00 . . . . . . . 25 SER HA . 51655 1 250 . 1 . 1 25 25 SER HB2 H 1 4.064 0.00 . . . . . . . 25 SER HB2 . 51655 1 251 . 1 . 1 25 25 SER HB3 H 1 4.005 0.00 . . . . . . . 25 SER HB3 . 51655 1 252 . 1 . 1 25 25 SER C C 13 176.318 0.00 . . . . . . . 25 SER C . 51655 1 253 . 1 . 1 25 25 SER CA C 13 60.695 0.00 . . . . . . . 25 SER CA . 51655 1 254 . 1 . 1 25 25 SER CB C 13 63.151 0.01 . . . . . . . 25 SER CB . 51655 1 255 . 1 . 1 25 25 SER N N 15 113.844 0.01 . . . . . . . 25 SER N . 51655 1 256 . 1 . 1 26 26 ARG H H 1 8.207 0.00 . . . . . . . 26 ARG H . 51655 1 257 . 1 . 1 26 26 ARG HA H 1 4.103 0.00 . . . . . . . 26 ARG HA . 51655 1 258 . 1 . 1 26 26 ARG HB2 H 1 1.974 0.00 . . . . . . . 26 ARG HB2 . 51655 1 259 . 1 . 1 26 26 ARG HG2 H 1 1.787 0.00 . . . . . . . 26 ARG HG2 . 51655 1 260 . 1 . 1 26 26 ARG HG3 H 1 1.655 0.00 . . . . . . . 26 ARG HG3 . 51655 1 261 . 1 . 1 26 26 ARG HD2 H 1 3.223 0.00 . . . . . . . 26 ARG HD2 . 51655 1 262 . 1 . 1 26 26 ARG C C 13 178.812 0.00 . . . . . . . 26 ARG C . 51655 1 263 . 1 . 1 26 26 ARG CA C 13 59.299 0.00 . . . . . . . 26 ARG CA . 51655 1 264 . 1 . 1 26 26 ARG CB C 13 30.256 0.00 . . . . . . . 26 ARG CB . 51655 1 265 . 1 . 1 26 26 ARG CG C 13 27.629 0.04 . . . . . . . 26 ARG CG . 51655 1 266 . 1 . 1 26 26 ARG CD C 13 43.610 0.00 . . . . . . . 26 ARG CD . 51655 1 267 . 1 . 1 26 26 ARG N N 15 123.022 0.04 . . . . . . . 26 ARG N . 51655 1 268 . 1 . 1 27 27 MET H H 1 8.240 0.00 . . . . . . . 27 MET H . 51655 1 269 . 1 . 1 27 27 MET HA H 1 4.329 0.00 . . . . . . . 27 MET HA . 51655 1 270 . 1 . 1 27 27 MET HB2 H 1 2.182 0.00 . . . . . . . 27 MET HB2 . 51655 1 271 . 1 . 1 27 27 MET HB3 H 1 2.182 0.00 . . . . . . . 27 MET HB3 . 51655 1 272 . 1 . 1 27 27 MET HG2 H 1 2.747 0.00 . . . . . . . 27 MET HG2 . 51655 1 273 . 1 . 1 27 27 MET HG3 H 1 2.615 0.00 . . . . . . . 27 MET HG3 . 51655 1 274 . 1 . 1 27 27 MET HE1 H 1 2.115 0.00 . . . . . . . 27 MET HE . 51655 1 275 . 1 . 1 27 27 MET HE2 H 1 2.115 0.00 . . . . . . . 27 MET HE . 51655 1 276 . 1 . 1 27 27 MET HE3 H 1 2.115 0.00 . . . . . . . 27 MET HE . 51655 1 277 . 1 . 1 27 27 MET C C 13 178.368 0.00 . . . . . . . 27 MET C . 51655 1 278 . 1 . 1 27 27 MET CA C 13 57.927 0.00 . . . . . . . 27 MET CA . 51655 1 279 . 1 . 1 27 27 MET CB C 13 32.380 0.00 . . . . . . . 27 MET CB . 51655 1 280 . 1 . 1 27 27 MET CG C 13 32.389 0.00 . . . . . . . 27 MET CG . 51655 1 281 . 1 . 1 27 27 MET CE C 13 17.173 0.00 . . . . . . . 27 MET CE . 51655 1 282 . 1 . 1 27 27 MET N N 15 119.004 0.03 . . . . . . . 27 MET N . 51655 1 283 . 1 . 1 28 28 LYS H H 1 8.075 0.00 . . . . . . . 28 LYS H . 51655 1 284 . 1 . 1 28 28 LYS HA H 1 4.212 0.00 . . . . . . . 28 LYS HA . 51655 1 285 . 1 . 1 28 28 LYS HB2 H 1 1.974 0.00 . . . . . . . 28 LYS HB2 . 51655 1 286 . 1 . 1 28 28 LYS HG2 H 1 1.632 0.00 . . . . . . . 28 LYS HG2 . 51655 1 287 . 1 . 1 28 28 LYS HG3 H 1 1.504 0.00 . . . . . . . 28 LYS HG3 . 51655 1 288 . 1 . 1 28 28 LYS HD2 H 1 1.726 0.00 . . . . . . . 28 LYS HD2 . 51655 1 289 . 1 . 1 28 28 LYS HE2 H 1 3.007 0.00 . . . . . . . 28 LYS HE2 . 51655 1 290 . 1 . 1 28 28 LYS C C 13 178.868 0.00 . . . . . . . 28 LYS C . 51655 1 291 . 1 . 1 28 28 LYS CA C 13 58.768 0.00 . . . . . . . 28 LYS CA . 51655 1 292 . 1 . 1 28 28 LYS CB C 13 32.717 0.00 . . . . . . . 28 LYS CB . 51655 1 293 . 1 . 1 28 28 LYS CG C 13 25.523 0.00 . . . . . . . 28 LYS CG . 51655 1 294 . 1 . 1 28 28 LYS CD C 13 29.353 0.00 . . . . . . . 28 LYS CD . 51655 1 295 . 1 . 1 28 28 LYS CE C 13 42.325 0.00 . . . . . . . 28 LYS CE . 51655 1 296 . 1 . 1 28 28 LYS N N 15 121.153 0.00 . . . . . . . 28 LYS N . 51655 1 297 . 1 . 1 29 29 ARG H H 1 8.129 0.00 . . . . . . . 29 ARG H . 51655 1 298 . 1 . 1 29 29 ARG HA H 1 4.245 0.00 . . . . . . . 29 ARG HA . 51655 1 299 . 1 . 1 29 29 ARG HB2 H 1 1.974 0.00 . . . . . . . 29 ARG HB2 . 51655 1 300 . 1 . 1 29 29 ARG HG2 H 1 1.655 0.00 . . . . . . . 29 ARG HG2 . 51655 1 301 . 1 . 1 29 29 ARG HD2 H 1 3.247 0.00 . . . . . . . 29 ARG HD2 . 51655 1 302 . 1 . 1 29 29 ARG C C 13 178.151 0.00 . . . . . . . 29 ARG C . 51655 1 303 . 1 . 1 29 29 ARG CA C 13 58.734 0.00 . . . . . . . 29 ARG CA . 51655 1 304 . 1 . 1 29 29 ARG CB C 13 30.256 0.00 . . . . . . . 29 ARG CB . 51655 1 305 . 1 . 1 29 29 ARG CG C 13 27.667 0.00 . . . . . . . 29 ARG CG . 51655 1 306 . 1 . 1 29 29 ARG CD C 13 43.590 0.00 . . . . . . . 29 ARG CD . 51655 1 307 . 1 . 1 29 29 ARG N N 15 120.442 0.03 . . . . . . . 29 ARG N . 51655 1 308 . 1 . 1 30 30 ALA H H 1 8.189 0.00 . . . . . . . 30 ALA H . 51655 1 309 . 1 . 1 30 30 ALA HA H 1 4.152 0.00 . . . . . . . 30 ALA HA . 51655 1 310 . 1 . 1 30 30 ALA HB1 H 1 1.511 0.00 . . . . . . . 30 ALA HB . 51655 1 311 . 1 . 1 30 30 ALA HB2 H 1 1.511 0.00 . . . . . . . 30 ALA HB . 51655 1 312 . 1 . 1 30 30 ALA HB3 H 1 1.511 0.00 . . . . . . . 30 ALA HB . 51655 1 313 . 1 . 1 30 30 ALA C C 13 179.609 0.00 . . . . . . . 30 ALA C . 51655 1 314 . 1 . 1 30 30 ALA CA C 13 54.778 0.00 . . . . . . . 30 ALA CA . 51655 1 315 . 1 . 1 30 30 ALA CB C 13 18.416 0.00 . . . . . . . 30 ALA CB . 51655 1 316 . 1 . 1 30 30 ALA N N 15 122.803 0.01 . . . . . . . 30 ALA N . 51655 1 317 . 1 . 1 31 31 ALA H H 1 8.099 0.00 . . . . . . . 31 ALA H . 51655 1 318 . 1 . 1 31 31 ALA HA H 1 4.274 0.00 . . . . . . . 31 ALA HA . 51655 1 319 . 1 . 1 31 31 ALA HB1 H 1 1.579 0.00 . . . . . . . 31 ALA HB . 51655 1 320 . 1 . 1 31 31 ALA HB2 H 1 1.579 0.00 . . . . . . . 31 ALA HB . 51655 1 321 . 1 . 1 31 31 ALA HB3 H 1 1.579 0.00 . . . . . . . 31 ALA HB . 51655 1 322 . 1 . 1 31 31 ALA C C 13 179.946 0.00 . . . . . . . 31 ALA C . 51655 1 323 . 1 . 1 31 31 ALA CA C 13 54.607 0.00 . . . . . . . 31 ALA CA . 51655 1 324 . 1 . 1 31 31 ALA CB C 13 18.301 0.00 . . . . . . . 31 ALA CB . 51655 1 325 . 1 . 1 31 31 ALA N N 15 121.311 0.07 . . . . . . . 31 ALA N . 51655 1 326 . 1 . 1 32 32 ALA H H 1 7.894 0.00 . . . . . . . 32 ALA H . 51655 1 327 . 1 . 1 32 32 ALA HA H 1 4.100 0.00 . . . . . . . 32 ALA HA . 51655 1 328 . 1 . 1 32 32 ALA HB1 H 1 1.435 0.00 . . . . . . . 32 ALA HB . 51655 1 329 . 1 . 1 32 32 ALA HB2 H 1 1.435 0.00 . . . . . . . 32 ALA HB . 51655 1 330 . 1 . 1 32 32 ALA HB3 H 1 1.435 0.00 . . . . . . . 32 ALA HB . 51655 1 331 . 1 . 1 32 32 ALA C C 13 178.589 0.00 . . . . . . . 32 ALA C . 51655 1 332 . 1 . 1 32 32 ALA CA C 13 55.297 0.00 . . . . . . . 32 ALA CA . 51655 1 333 . 1 . 1 32 32 ALA CB C 13 18.440 0.00 . . . . . . . 32 ALA CB . 51655 1 334 . 1 . 1 32 32 ALA N N 15 121.780 0.03 . . . . . . . 32 ALA N . 51655 1 335 . 1 . 1 33 33 LYS H H 1 7.990 0.00 . . . . . . . 33 LYS H . 51655 1 336 . 1 . 1 33 33 LYS HA H 1 3.820 0.00 . . . . . . . 33 LYS HA . 51655 1 337 . 1 . 1 33 33 LYS HB2 H 1 1.848 0.00 . . . . . . . 33 LYS HB2 . 51655 1 338 . 1 . 1 33 33 LYS HG2 H 1 1.450 0.00 . . . . . . . 33 LYS HG2 . 51655 1 339 . 1 . 1 33 33 LYS HG3 H 1 1.342 0.00 . . . . . . . 33 LYS HG3 . 51655 1 340 . 1 . 1 33 33 LYS HD2 H 1 1.629 0.00 . . . . . . . 33 LYS HD2 . 51655 1 341 . 1 . 1 33 33 LYS HE2 H 1 2.949 0.00 . . . . . . . 33 LYS HE2 . 51655 1 342 . 1 . 1 33 33 LYS C C 13 178.804 0.00 . . . . . . . 33 LYS C . 51655 1 343 . 1 . 1 33 33 LYS CA C 13 59.826 0.00 . . . . . . . 33 LYS CA . 51655 1 344 . 1 . 1 33 33 LYS CB C 13 32.431 0.00 . . . . . . . 33 LYS CB . 51655 1 345 . 1 . 1 33 33 LYS CG C 13 25.029 0.03 . . . . . . . 33 LYS CG . 51655 1 346 . 1 . 1 33 33 LYS CD C 13 29.280 0.00 . . . . . . . 33 LYS CD . 51655 1 347 . 1 . 1 33 33 LYS CE C 13 42.230 0.00 . . . . . . . 33 LYS CE . 51655 1 348 . 1 . 1 33 33 LYS N N 15 116.759 0.00 . . . . . . . 33 LYS N . 51655 1 349 . 1 . 1 34 34 HIS H H 1 8.002 0.00 . . . . . . . 34 HIS H . 51655 1 350 . 1 . 1 34 34 HIS HA H 1 4.524 0.00 . . . . . . . 34 HIS HA . 51655 1 351 . 1 . 1 34 34 HIS HB2 H 1 3.331 0.00 . . . . . . . 34 HIS HB2 . 51655 1 352 . 1 . 1 34 34 HIS HB3 H 1 3.306 0.00 . . . . . . . 34 HIS HB3 . 51655 1 353 . 1 . 1 34 34 HIS C C 13 177.213 0.00 . . . . . . . 34 HIS C . 51655 1 354 . 1 . 1 34 34 HIS CA C 13 58.425 0.00 . . . . . . . 34 HIS CA . 51655 1 355 . 1 . 1 34 34 HIS CB C 13 28.914 0.00 . . . . . . . 34 HIS CB . 51655 1 356 . 1 . 1 34 34 HIS N N 15 116.079 0.03 . . . . . . . 34 HIS N . 51655 1 357 . 1 . 1 35 35 LEU H H 1 7.965 0.00 . . . . . . . 35 LEU H . 51655 1 358 . 1 . 1 35 35 LEU HA H 1 4.071 0.00 . . . . . . . 35 LEU HA . 51655 1 359 . 1 . 1 35 35 LEU HB2 H 1 2.064 0.00 . . . . . . . 35 LEU HB2 . 51655 1 360 . 1 . 1 35 35 LEU HB3 H 1 1.825 0.00 . . . . . . . 35 LEU HB3 . 51655 1 361 . 1 . 1 35 35 LEU HG H 1 1.906 0.00 . . . . . . . 35 LEU HG . 51655 1 362 . 1 . 1 35 35 LEU HD11 H 1 1.148 0.00 . . . . . . . 35 LEU HD1 . 51655 1 363 . 1 . 1 35 35 LEU HD12 H 1 1.148 0.00 . . . . . . . 35 LEU HD1 . 51655 1 364 . 1 . 1 35 35 LEU HD13 H 1 1.148 0.00 . . . . . . . 35 LEU HD1 . 51655 1 365 . 1 . 1 35 35 LEU HD21 H 1 1.074 0.00 . . . . . . . 35 LEU HD2 . 51655 1 366 . 1 . 1 35 35 LEU HD22 H 1 1.074 0.00 . . . . . . . 35 LEU HD2 . 51655 1 367 . 1 . 1 35 35 LEU HD23 H 1 1.074 0.00 . . . . . . . 35 LEU HD2 . 51655 1 368 . 1 . 1 35 35 LEU C C 13 178.630 0.00 . . . . . . . 35 LEU C . 51655 1 369 . 1 . 1 35 35 LEU CA C 13 58.351 0.00 . . . . . . . 35 LEU CA . 51655 1 370 . 1 . 1 35 35 LEU CB C 13 42.218 0.07 . . . . . . . 35 LEU CB . 51655 1 371 . 1 . 1 35 35 LEU CG C 13 27.937 0.00 . . . . . . . 35 LEU CG . 51655 1 372 . 1 . 1 35 35 LEU CD1 C 13 25.339 0.00 . . . . . . . 35 LEU CD1 . 51655 1 373 . 1 . 1 35 35 LEU CD2 C 13 24.373 0.00 . . . . . . . 35 LEU CD2 . 51655 1 374 . 1 . 1 35 35 LEU N N 15 121.274 0.00 . . . . . . . 35 LEU N . 51655 1 375 . 1 . 1 36 36 ILE H H 1 8.587 0.00 . . . . . . . 36 ILE H . 51655 1 376 . 1 . 1 36 36 ILE HA H 1 3.726 0.00 . . . . . . . 36 ILE HA . 51655 1 377 . 1 . 1 36 36 ILE HB H 1 1.704 0.00 . . . . . . . 36 ILE HB . 51655 1 378 . 1 . 1 36 36 ILE HG12 H 1 1.334 0.00 . . . . . . . 36 ILE HG12 . 51655 1 379 . 1 . 1 36 36 ILE HG13 H 1 0.604 0.00 . . . . . . . 36 ILE HG13 . 51655 1 380 . 1 . 1 36 36 ILE HG21 H 1 0.776 0.00 . . . . . . . 36 ILE HG2 . 51655 1 381 . 1 . 1 36 36 ILE HG22 H 1 0.776 0.00 . . . . . . . 36 ILE HG2 . 51655 1 382 . 1 . 1 36 36 ILE HG23 H 1 0.776 0.00 . . . . . . . 36 ILE HG2 . 51655 1 383 . 1 . 1 36 36 ILE HD11 H 1 0.482 0.00 . . . . . . . 36 ILE HD1 . 51655 1 384 . 1 . 1 36 36 ILE HD12 H 1 0.482 0.00 . . . . . . . 36 ILE HD1 . 51655 1 385 . 1 . 1 36 36 ILE HD13 H 1 0.482 0.00 . . . . . . . 36 ILE HD1 . 51655 1 386 . 1 . 1 36 36 ILE C C 13 178.303 0.00 . . . . . . . 36 ILE C . 51655 1 387 . 1 . 1 36 36 ILE CA C 13 67.177 0.00 . . . . . . . 36 ILE CA . 51655 1 388 . 1 . 1 36 36 ILE CB C 13 38.078 0.00 . . . . . . . 36 ILE CB . 51655 1 389 . 1 . 1 36 36 ILE CG1 C 13 31.059 0.00 . . . . . . . 36 ILE CG1 . 51655 1 390 . 1 . 1 36 36 ILE CG2 C 13 17.889 0.00 . . . . . . . 36 ILE CG2 . 51655 1 391 . 1 . 1 36 36 ILE CD1 C 13 14.186 0.00 . . . . . . . 36 ILE CD1 . 51655 1 392 . 1 . 1 36 36 ILE N N 15 120.388 0.06 . . . . . . . 36 ILE N . 51655 1 393 . 1 . 1 37 37 GLU H H 1 7.960 0.00 . . . . . . . 37 GLU H . 51655 1 394 . 1 . 1 37 37 GLU HA H 1 4.129 0.00 . . . . . . . 37 GLU HA . 51655 1 395 . 1 . 1 37 37 GLU HB2 H 1 2.279 0.00 . . . . . . . 37 GLU HB2 . 51655 1 396 . 1 . 1 37 37 GLU HG2 H 1 2.525 0.00 . . . . . . . 37 GLU HG2 . 51655 1 397 . 1 . 1 37 37 GLU C C 13 179.520 0.00 . . . . . . . 37 GLU C . 51655 1 398 . 1 . 1 37 37 GLU CA C 13 59.754 0.00 . . . . . . . 37 GLU CA . 51655 1 399 . 1 . 1 37 37 GLU CB C 13 29.306 0.00 . . . . . . . 37 GLU CB . 51655 1 400 . 1 . 1 37 37 GLU CG C 13 36.801 0.00 . . . . . . . 37 GLU CG . 51655 1 401 . 1 . 1 37 37 GLU N N 15 118.417 0.03 . . . . . . . 37 GLU N . 51655 1 402 . 1 . 1 38 38 ARG H H 1 7.963 0.00 . . . . . . . 38 ARG H . 51655 1 403 . 1 . 1 38 38 ARG HA H 1 4.147 0.00 . . . . . . . 38 ARG HA . 51655 1 404 . 1 . 1 38 38 ARG HB2 H 1 2.024 0.00 . . . . . . . 38 ARG HB2 . 51655 1 405 . 1 . 1 38 38 ARG HB3 H 1 1.878 0.00 . . . . . . . 38 ARG HB3 . 51655 1 406 . 1 . 1 38 38 ARG HG2 H 1 1.798 0.00 . . . . . . . 38 ARG HG2 . 51655 1 407 . 1 . 1 38 38 ARG HG3 H 1 1.528 0.00 . . . . . . . 38 ARG HG3 . 51655 1 408 . 1 . 1 38 38 ARG HD2 H 1 3.188 0.00 . . . . . . . 38 ARG HD2 . 51655 1 409 . 1 . 1 38 38 ARG HD3 H 1 2.957 0.00 . . . . . . . 38 ARG HD3 . 51655 1 410 . 1 . 1 38 38 ARG C C 13 180.482 0.00 . . . . . . . 38 ARG C . 51655 1 411 . 1 . 1 38 38 ARG CA C 13 59.918 0.00 . . . . . . . 38 ARG CA . 51655 1 412 . 1 . 1 38 38 ARG CB C 13 29.785 0.01 . . . . . . . 38 ARG CB . 51655 1 413 . 1 . 1 38 38 ARG CG C 13 27.139 0.04 . . . . . . . 38 ARG CG . 51655 1 414 . 1 . 1 38 38 ARG CD C 13 43.611 0.00 . . . . . . . 38 ARG CD . 51655 1 415 . 1 . 1 38 38 ARG N N 15 121.309 0.04 . . . . . . . 38 ARG N . 51655 1 416 . 1 . 1 39 39 TYR H H 1 8.622 0.00 . . . . . . . 39 TYR H . 51655 1 417 . 1 . 1 39 39 TYR HA H 1 4.149 0.00 . . . . . . . 39 TYR HA . 51655 1 418 . 1 . 1 39 39 TYR HB2 H 1 3.332 0.00 . . . . . . . 39 TYR HB2 . 51655 1 419 . 1 . 1 39 39 TYR HB3 H 1 2.997 0.00 . . . . . . . 39 TYR HB3 . 51655 1 420 . 1 . 1 39 39 TYR HD1 H 1 7.120 0.00 . . . . . . . 39 TYR HD1 . 51655 1 421 . 1 . 1 39 39 TYR HE1 H 1 6.588 0.00 . . . . . . . 39 TYR HE1 . 51655 1 422 . 1 . 1 39 39 TYR HE2 H 1 6.587 0.00 . . . . . . . 39 TYR HE2 . 51655 1 423 . 1 . 1 39 39 TYR C C 13 177.906 0.00 . . . . . . . 39 TYR C . 51655 1 424 . 1 . 1 39 39 TYR CA C 13 63.669 0.00 . . . . . . . 39 TYR CA . 51655 1 425 . 1 . 1 39 39 TYR CB C 13 38.773 0.01 . . . . . . . 39 TYR CB . 51655 1 426 . 1 . 1 39 39 TYR CD1 C 13 133.665 0.00 . . . . . . . 39 TYR CD1 . 51655 1 427 . 1 . 1 39 39 TYR CE1 C 13 116.909 0.00 . . . . . . . 39 TYR CE1 . 51655 1 428 . 1 . 1 39 39 TYR CE2 C 13 117.334 0.00 . . . . . . . 39 TYR CE2 . 51655 1 429 . 1 . 1 39 39 TYR N N 15 120.740 0.04 . . . . . . . 39 TYR N . 51655 1 430 . 1 . 1 40 40 TYR H H 1 8.991 0.00 . . . . . . . 40 TYR H . 51655 1 431 . 1 . 1 40 40 TYR HA H 1 4.055 0.00 . . . . . . . 40 TYR HA . 51655 1 432 . 1 . 1 40 40 TYR HB2 H 1 3.254 0.00 . . . . . . . 40 TYR HB2 . 51655 1 433 . 1 . 1 40 40 TYR HB3 H 1 3.030 0.00 . . . . . . . 40 TYR HB3 . 51655 1 434 . 1 . 1 40 40 TYR HD1 H 1 6.858 0.00 . . . . . . . 40 TYR HD1 . 51655 1 435 . 1 . 1 40 40 TYR HE1 H 1 6.991 0.00 . . . . . . . 40 TYR HE1 . 51655 1 436 . 1 . 1 40 40 TYR HE2 H 1 6.991 0.00 . . . . . . . 40 TYR HE2 . 51655 1 437 . 1 . 1 40 40 TYR C C 13 178.817 0.00 . . . . . . . 40 TYR C . 51655 1 438 . 1 . 1 40 40 TYR CA C 13 62.950 0.00 . . . . . . . 40 TYR CA . 51655 1 439 . 1 . 1 40 40 TYR CB C 13 38.581 0.06 . . . . . . . 40 TYR CB . 51655 1 440 . 1 . 1 40 40 TYR CD1 C 13 132.417 0.00 . . . . . . . 40 TYR CD1 . 51655 1 441 . 1 . 1 40 40 TYR CE1 C 13 118.925 0.00 . . . . . . . 40 TYR CE1 . 51655 1 442 . 1 . 1 40 40 TYR CE2 C 13 119.317 0.00 . . . . . . . 40 TYR CE2 . 51655 1 443 . 1 . 1 40 40 TYR N N 15 120.517 0.01 . . . . . . . 40 TYR N . 51655 1 444 . 1 . 1 41 41 HIS H H 1 8.918 0.00 . . . . . . . 41 HIS H . 51655 1 445 . 1 . 1 41 41 HIS HA H 1 4.057 0.00 . . . . . . . 41 HIS HA . 51655 1 446 . 1 . 1 41 41 HIS HB2 H 1 3.476 0.00 . . . . . . . 41 HIS HB2 . 51655 1 447 . 1 . 1 41 41 HIS HB3 H 1 3.426 0.00 . . . . . . . 41 HIS HB3 . 51655 1 448 . 1 . 1 41 41 HIS HE1 H 1 8.502 0.00 . . . . . . . 41 HIS HE1 . 51655 1 449 . 1 . 1 41 41 HIS C C 13 177.133 0.00 . . . . . . . 41 HIS C . 51655 1 450 . 1 . 1 41 41 HIS CA C 13 60.040 0.00 . . . . . . . 41 HIS CA . 51655 1 451 . 1 . 1 41 41 HIS CB C 13 28.517 0.02 . . . . . . . 41 HIS CB . 51655 1 452 . 1 . 1 41 41 HIS CE1 C 13 137.061 0.00 . . . . . . . 41 HIS CE1 . 51655 1 453 . 1 . 1 41 41 HIS N N 15 119.962 0.01 . . . . . . . 41 HIS N . 51655 1 454 . 1 . 1 42 42 GLN H H 1 8.495 0.00 . . . . . . . 42 GLN H . 51655 1 455 . 1 . 1 42 42 GLN HA H 1 3.833 0.00 . . . . . . . 42 GLN HA . 51655 1 456 . 1 . 1 42 42 GLN HB2 H 1 2.571 0.00 . . . . . . . 42 GLN HB2 . 51655 1 457 . 1 . 1 42 42 GLN HB3 H 1 2.338 0.00 . . . . . . . 42 GLN HB3 . 51655 1 458 . 1 . 1 42 42 GLN HG2 H 1 2.939 0.00 . . . . . . . 42 GLN HG2 . 51655 1 459 . 1 . 1 42 42 GLN HG3 H 1 2.760 0.00 . . . . . . . 42 GLN HG3 . 51655 1 460 . 1 . 1 42 42 GLN HE21 H 1 7.366 0.00 . . . . . . . 42 GLN HE21 . 51655 1 461 . 1 . 1 42 42 GLN HE22 H 1 7.295 0.00 . . . . . . . 42 GLN HE22 . 51655 1 462 . 1 . 1 42 42 GLN C C 13 176.345 0.00 . . . . . . . 42 GLN C . 51655 1 463 . 1 . 1 42 42 GLN CA C 13 60.467 0.00 . . . . . . . 42 GLN CA . 51655 1 464 . 1 . 1 42 42 GLN CB C 13 30.838 0.01 . . . . . . . 42 GLN CB . 51655 1 465 . 1 . 1 42 42 GLN CG C 13 35.333 0.00 . . . . . . . 42 GLN CG . 51655 1 466 . 1 . 1 42 42 GLN N N 15 123.398 0.00 . . . . . . . 42 GLN N . 51655 1 467 . 1 . 1 42 42 GLN NE2 N 15 108.480 0.03 . . . . . . . 42 GLN NE2 . 51655 1 468 . 1 . 1 43 43 LEU H H 1 8.025 0.00 . . . . . . . 43 LEU H . 51655 1 469 . 1 . 1 43 43 LEU HA H 1 4.077 0.00 . . . . . . . 43 LEU HA . 51655 1 470 . 1 . 1 43 43 LEU HB2 H 1 1.998 0.00 . . . . . . . 43 LEU HB2 . 51655 1 471 . 1 . 1 43 43 LEU HB3 H 1 1.718 0.00 . . . . . . . 43 LEU HB3 . 51655 1 472 . 1 . 1 43 43 LEU HG H 1 1.014 0.00 . . . . . . . 43 LEU HG . 51655 1 473 . 1 . 1 43 43 LEU HD11 H 1 1.253 0.00 . . . . . . . 43 LEU HD1 . 51655 1 474 . 1 . 1 43 43 LEU HD12 H 1 1.253 0.00 . . . . . . . 43 LEU HD1 . 51655 1 475 . 1 . 1 43 43 LEU HD13 H 1 1.253 0.00 . . . . . . . 43 LEU HD1 . 51655 1 476 . 1 . 1 43 43 LEU HD21 H 1 1.253 0.00 . . . . . . . 43 LEU HD2 . 51655 1 477 . 1 . 1 43 43 LEU HD22 H 1 1.253 0.00 . . . . . . . 43 LEU HD2 . 51655 1 478 . 1 . 1 43 43 LEU HD23 H 1 1.253 0.00 . . . . . . . 43 LEU HD2 . 51655 1 479 . 1 . 1 43 43 LEU C C 13 175.794 0.00 . . . . . . . 43 LEU C . 51655 1 480 . 1 . 1 43 43 LEU CA C 13 56.674 0.00 . . . . . . . 43 LEU CA . 51655 1 481 . 1 . 1 43 43 LEU CB C 13 45.181 0.00 . . . . . . . 43 LEU CB . 51655 1 482 . 1 . 1 43 43 LEU CG C 13 27.538 0.00 . . . . . . . 43 LEU CG . 51655 1 483 . 1 . 1 43 43 LEU CD1 C 13 23.980 0.00 . . . . . . . 43 LEU CD1 . 51655 1 484 . 1 . 1 43 43 LEU CD2 C 13 23.980 0.00 . . . . . . . 43 LEU CD2 . 51655 1 485 . 1 . 1 43 43 LEU N N 15 116.756 0.01 . . . . . . . 43 LEU N . 51655 1 486 . 1 . 1 44 44 THR H H 1 7.235 0.00 . . . . . . . 44 THR H . 51655 1 487 . 1 . 1 44 44 THR HA H 1 4.314 0.00 . . . . . . . 44 THR HA . 51655 1 488 . 1 . 1 44 44 THR HB H 1 3.965 0.00 . . . . . . . 44 THR HB . 51655 1 489 . 1 . 1 44 44 THR HG21 H 1 0.684 0.00 . . . . . . . 44 THR HG2 . 51655 1 490 . 1 . 1 44 44 THR HG22 H 1 0.684 0.00 . . . . . . . 44 THR HG2 . 51655 1 491 . 1 . 1 44 44 THR HG23 H 1 0.684 0.00 . . . . . . . 44 THR HG2 . 51655 1 492 . 1 . 1 44 44 THR C C 13 175.020 0.00 . . . . . . . 44 THR C . 51655 1 493 . 1 . 1 44 44 THR CA C 13 61.753 0.00 . . . . . . . 44 THR CA . 51655 1 494 . 1 . 1 44 44 THR CB C 13 70.632 0.00 . . . . . . . 44 THR CB . 51655 1 495 . 1 . 1 44 44 THR CG2 C 13 21.669 0.00 . . . . . . . 44 THR CG2 . 51655 1 496 . 1 . 1 44 44 THR N N 15 104.729 0.02 . . . . . . . 44 THR N . 51655 1 497 . 1 . 1 45 45 GLU H H 1 8.226 0.00 . . . . . . . 45 GLU H . 51655 1 498 . 1 . 1 45 45 GLU HA H 1 4.317 0.00 . . . . . . . 45 GLU HA . 51655 1 499 . 1 . 1 45 45 GLU HB2 H 1 1.874 0.00 . . . . . . . 45 GLU HB2 . 51655 1 500 . 1 . 1 45 45 GLU HB3 H 1 1.395 0.00 . . . . . . . 45 GLU HB3 . 51655 1 501 . 1 . 1 45 45 GLU HG2 H 1 2.176 0.00 . . . . . . . 45 GLU HG2 . 51655 1 502 . 1 . 1 45 45 GLU C C 13 177.485 0.00 . . . . . . . 45 GLU C . 51655 1 503 . 1 . 1 45 45 GLU CA C 13 57.104 0.00 . . . . . . . 45 GLU CA . 51655 1 504 . 1 . 1 45 45 GLU CB C 13 31.563 0.00 . . . . . . . 45 GLU CB . 51655 1 505 . 1 . 1 45 45 GLU CG C 13 36.420 0.00 . . . . . . . 45 GLU CG . 51655 1 506 . 1 . 1 45 45 GLU N N 15 121.680 0.01 . . . . . . . 45 GLU N . 51655 1 507 . 1 . 1 46 46 GLY H H 1 7.598 0.00 . . . . . . . 46 GLY H . 51655 1 508 . 1 . 1 46 46 GLY HA2 H 1 4.714 0.00 . . . . . . . 46 GLY HA2 . 51655 1 509 . 1 . 1 46 46 GLY HA3 H 1 4.458 0.00 . . . . . . . 46 GLY HA3 . 51655 1 510 . 1 . 1 46 46 GLY C C 13 173.073 0.00 . . . . . . . 46 GLY C . 51655 1 511 . 1 . 1 46 46 GLY CA C 13 44.571 0.01 . . . . . . . 46 GLY CA . 51655 1 512 . 1 . 1 46 46 GLY N N 15 107.463 0.03 . . . . . . . 46 GLY N . 51655 1 513 . 1 . 1 47 47 CYS H H 1 7.551 0.00 . . . . . . . 47 CYS H . 51655 1 514 . 1 . 1 47 47 CYS HA H 1 4.608 0.00 . . . . . . . 47 CYS HA . 51655 1 515 . 1 . 1 47 47 CYS HB2 H 1 3.214 0.00 . . . . . . . 47 CYS HB2 . 51655 1 516 . 1 . 1 47 47 CYS HB3 H 1 2.948 0.00 . . . . . . . 47 CYS HB3 . 51655 1 517 . 1 . 1 47 47 CYS C C 13 177.027 0.00 . . . . . . . 47 CYS C . 51655 1 518 . 1 . 1 47 47 CYS CA C 13 58.529 0.00 . . . . . . . 47 CYS CA . 51655 1 519 . 1 . 1 47 47 CYS CB C 13 31.938 0.00 . . . . . . . 47 CYS CB . 51655 1 520 . 1 . 1 47 47 CYS N N 15 118.162 0.01 . . . . . . . 47 CYS N . 51655 1 521 . 1 . 1 48 48 GLY H H 1 8.733 0.00 . . . . . . . 48 GLY H . 51655 1 522 . 1 . 1 48 48 GLY HA2 H 1 4.280 0.00 . . . . . . . 48 GLY HA2 . 51655 1 523 . 1 . 1 48 48 GLY HA3 H 1 3.626 0.00 . . . . . . . 48 GLY HA3 . 51655 1 524 . 1 . 1 48 48 GLY C C 13 173.659 0.00 . . . . . . . 48 GLY C . 51655 1 525 . 1 . 1 48 48 GLY CA C 13 45.488 0.01 . . . . . . . 48 GLY CA . 51655 1 526 . 1 . 1 48 48 GLY N N 15 112.620 0.03 . . . . . . . 48 GLY N . 51655 1 527 . 1 . 1 49 49 ASN H H 1 8.461 0.00 . . . . . . . 49 ASN H . 51655 1 528 . 1 . 1 49 49 ASN HA H 1 4.692 0.00 . . . . . . . 49 ASN HA . 51655 1 529 . 1 . 1 49 49 ASN HB2 H 1 3.102 0.00 . . . . . . . 49 ASN HB2 . 51655 1 530 . 1 . 1 49 49 ASN HB3 H 1 2.742 0.00 . . . . . . . 49 ASN HB3 . 51655 1 531 . 1 . 1 49 49 ASN HD21 H 1 7.987 0.00 . . . . . . . 49 ASN HD21 . 51655 1 532 . 1 . 1 49 49 ASN HD22 H 1 6.943 0.00 . . . . . . . 49 ASN HD22 . 51655 1 533 . 1 . 1 49 49 ASN C C 13 175.181 0.00 . . . . . . . 49 ASN C . 51655 1 534 . 1 . 1 49 49 ASN CA C 13 52.298 0.00 . . . . . . . 49 ASN CA . 51655 1 535 . 1 . 1 49 49 ASN CB C 13 39.086 0.03 . . . . . . . 49 ASN CB . 51655 1 536 . 1 . 1 49 49 ASN N N 15 121.989 0.04 . . . . . . . 49 ASN N . 51655 1 537 . 1 . 1 49 49 ASN ND2 N 15 112.157 0.00 . . . . . . . 49 ASN ND2 . 51655 1 538 . 1 . 1 50 50 GLU H H 1 8.897 0.00 . . . . . . . 50 GLU H . 51655 1 539 . 1 . 1 50 50 GLU HA H 1 4.254 0.00 . . . . . . . 50 GLU HA . 51655 1 540 . 1 . 1 50 50 GLU HB2 H 1 2.140 0.00 . . . . . . . 50 GLU HB2 . 51655 1 541 . 1 . 1 50 50 GLU HG2 H 1 2.342 0.00 . . . . . . . 50 GLU HG2 . 51655 1 542 . 1 . 1 50 50 GLU C C 13 175.891 0.00 . . . . . . . 50 GLU C . 51655 1 543 . 1 . 1 50 50 GLU CA C 13 58.119 0.00 . . . . . . . 50 GLU CA . 51655 1 544 . 1 . 1 50 50 GLU CB C 13 29.527 0.00 . . . . . . . 50 GLU CB . 51655 1 545 . 1 . 1 50 50 GLU CG C 13 36.283 0.00 . . . . . . . 50 GLU CG . 51655 1 546 . 1 . 1 50 50 GLU N N 15 124.517 0.02 . . . . . . . 50 GLU N . 51655 1 547 . 1 . 1 51 51 ALA H H 1 7.999 0.00 . . . . . . . 51 ALA H . 51655 1 548 . 1 . 1 51 51 ALA HA H 1 4.453 0.00 . . . . . . . 51 ALA HA . 51655 1 549 . 1 . 1 51 51 ALA HB1 H 1 1.343 0.00 . . . . . . . 51 ALA HB . 51655 1 550 . 1 . 1 51 51 ALA HB2 H 1 1.343 0.00 . . . . . . . 51 ALA HB . 51655 1 551 . 1 . 1 51 51 ALA HB3 H 1 1.343 0.00 . . . . . . . 51 ALA HB . 51655 1 552 . 1 . 1 51 51 ALA C C 13 175.893 0.00 . . . . . . . 51 ALA C . 51655 1 553 . 1 . 1 51 51 ALA CA C 13 50.655 0.00 . . . . . . . 51 ALA CA . 51655 1 554 . 1 . 1 51 51 ALA CB C 13 18.600 0.00 . . . . . . . 51 ALA CB . 51655 1 555 . 1 . 1 51 51 ALA N N 15 121.939 0.01 . . . . . . . 51 ALA N . 51655 1 556 . 1 . 1 52 52 CYS H H 1 7.451 0.00 . . . . . . . 52 CYS H . 51655 1 557 . 1 . 1 52 52 CYS HA H 1 3.881 0.00 . . . . . . . 52 CYS HA . 51655 1 558 . 1 . 1 52 52 CYS HB2 H 1 3.059 0.00 . . . . . . . 52 CYS HB2 . 51655 1 559 . 1 . 1 52 52 CYS HB3 H 1 2.352 0.00 . . . . . . . 52 CYS HB3 . 51655 1 560 . 1 . 1 52 52 CYS C C 13 176.110 0.00 . . . . . . . 52 CYS C . 51655 1 561 . 1 . 1 52 52 CYS CA C 13 62.804 0.00 . . . . . . . 52 CYS CA . 51655 1 562 . 1 . 1 52 52 CYS CB C 13 29.909 0.00 . . . . . . . 52 CYS CB . 51655 1 563 . 1 . 1 52 52 CYS N N 15 124.208 0.03 . . . . . . . 52 CYS N . 51655 1 564 . 1 . 1 53 53 THR H H 1 7.935 0.00 . . . . . . . 53 THR H . 51655 1 565 . 1 . 1 53 53 THR HA H 1 4.607 0.00 . . . . . . . 53 THR HA . 51655 1 566 . 1 . 1 53 53 THR HB H 1 4.620 0.00 . . . . . . . 53 THR HB . 51655 1 567 . 1 . 1 53 53 THR HG21 H 1 1.276 0.00 . . . . . . . 53 THR HG2 . 51655 1 568 . 1 . 1 53 53 THR HG22 H 1 1.276 0.00 . . . . . . . 53 THR HG2 . 51655 1 569 . 1 . 1 53 53 THR HG23 H 1 1.276 0.00 . . . . . . . 53 THR HG2 . 51655 1 570 . 1 . 1 53 53 THR C C 13 175.011 0.00 . . . . . . . 53 THR C . 51655 1 571 . 1 . 1 53 53 THR CA C 13 61.232 0.00 . . . . . . . 53 THR CA . 51655 1 572 . 1 . 1 53 53 THR CB C 13 69.916 0.00 . . . . . . . 53 THR CB . 51655 1 573 . 1 . 1 53 53 THR CG2 C 13 21.712 0.00 . . . . . . . 53 THR CG2 . 51655 1 574 . 1 . 1 53 53 THR N N 15 115.526 0.03 . . . . . . . 53 THR N . 51655 1 575 . 1 . 1 54 54 ASN H H 1 9.412 0.00 . . . . . . . 54 ASN H . 51655 1 576 . 1 . 1 54 54 ASN HA H 1 4.516 0.00 . . . . . . . 54 ASN HA . 51655 1 577 . 1 . 1 54 54 ASN HB2 H 1 3.360 0.00 . . . . . . . 54 ASN HB2 . 51655 1 578 . 1 . 1 54 54 ASN HB3 H 1 2.693 0.00 . . . . . . . 54 ASN HB3 . 51655 1 579 . 1 . 1 54 54 ASN HD21 H 1 8.548 0.00 . . . . . . . 54 ASN HD21 . 51655 1 580 . 1 . 1 54 54 ASN HD22 H 1 6.553 0.00 . . . . . . . 54 ASN HD22 . 51655 1 581 . 1 . 1 54 54 ASN C C 13 174.316 0.00 . . . . . . . 54 ASN C . 51655 1 582 . 1 . 1 54 54 ASN CA C 13 53.246 0.00 . . . . . . . 54 ASN CA . 51655 1 583 . 1 . 1 54 54 ASN CB C 13 38.663 0.06 . . . . . . . 54 ASN CB . 51655 1 584 . 1 . 1 54 54 ASN N N 15 127.713 0.02 . . . . . . . 54 ASN N . 51655 1 585 . 1 . 1 54 54 ASN ND2 N 15 114.372 0.02 . . . . . . . 54 ASN ND2 . 51655 1 586 . 1 . 1 55 55 GLU H H 1 8.593 0.00 . . . . . . . 55 GLU H . 51655 1 587 . 1 . 1 55 55 GLU HA H 1 4.086 0.00 . . . . . . . 55 GLU HA . 51655 1 588 . 1 . 1 55 55 GLU HB2 H 1 1.821 0.00 . . . . . . . 55 GLU HB2 . 51655 1 589 . 1 . 1 55 55 GLU HB3 H 1 1.727 0.00 . . . . . . . 55 GLU HB3 . 51655 1 590 . 1 . 1 55 55 GLU HG2 H 1 1.618 0.00 . . . . . . . 55 GLU HG2 . 51655 1 591 . 1 . 1 55 55 GLU HG3 H 1 1.358 0.00 . . . . . . . 55 GLU HG3 . 51655 1 592 . 1 . 1 55 55 GLU C C 13 175.870 0.00 . . . . . . . 55 GLU C . 51655 1 593 . 1 . 1 55 55 GLU CA C 13 58.342 0.00 . . . . . . . 55 GLU CA . 51655 1 594 . 1 . 1 55 55 GLU CB C 13 29.206 0.01 . . . . . . . 55 GLU CB . 51655 1 595 . 1 . 1 55 55 GLU CG C 13 35.323 0.00 . . . . . . . 55 GLU CG . 51655 1 596 . 1 . 1 55 55 GLU N N 15 123.936 0.03 . . . . . . . 55 GLU N . 51655 1 597 . 1 . 1 56 56 PHE H H 1 7.512 0.00 . . . . . . . 56 PHE H . 51655 1 598 . 1 . 1 56 56 PHE HA H 1 4.951 0.00 . . . . . . . 56 PHE HA . 51655 1 599 . 1 . 1 56 56 PHE HB2 H 1 3.692 0.00 . . . . . . . 56 PHE HB2 . 51655 1 600 . 1 . 1 56 56 PHE HB3 H 1 2.709 0.00 . . . . . . . 56 PHE HB3 . 51655 1 601 . 1 . 1 56 56 PHE HD1 H 1 7.349 0.00 . . . . . . . 56 PHE HD1 . 51655 1 602 . 1 . 1 56 56 PHE HD2 H 1 7.349 0.00 . . . . . . . 56 PHE HD2 . 51655 1 603 . 1 . 1 56 56 PHE HE1 H 1 7.388 0.00 . . . . . . . 56 PHE HE1 . 51655 1 604 . 1 . 1 56 56 PHE HE2 H 1 7.388 0.00 . . . . . . . 56 PHE HE2 . 51655 1 605 . 1 . 1 56 56 PHE HZ H 1 7.261 0.00 . . . . . . . 56 PHE HZ . 51655 1 606 . 1 . 1 56 56 PHE C C 13 172.102 0.00 . . . . . . . 56 PHE C . 51655 1 607 . 1 . 1 56 56 PHE CA C 13 56.441 0.00 . . . . . . . 56 PHE CA . 51655 1 608 . 1 . 1 56 56 PHE CB C 13 38.317 0.04 . . . . . . . 56 PHE CB . 51655 1 609 . 1 . 1 56 56 PHE CD1 C 13 131.614 0.00 . . . . . . . 56 PHE CD1 . 51655 1 610 . 1 . 1 56 56 PHE CD2 C 13 131.614 0.00 . . . . . . . 56 PHE CD2 . 51655 1 611 . 1 . 1 56 56 PHE CE1 C 13 131.604 0.00 . . . . . . . 56 PHE CE1 . 51655 1 612 . 1 . 1 56 56 PHE CE2 C 13 131.603 0.00 . . . . . . . 56 PHE CE2 . 51655 1 613 . 1 . 1 56 56 PHE CZ C 13 129.982 0.00 . . . . . . . 56 PHE CZ . 51655 1 614 . 1 . 1 56 56 PHE N N 15 117.284 0.03 . . . . . . . 56 PHE N . 51655 1 615 . 1 . 1 57 57 CYS H H 1 7.513 0.00 . . . . . . . 57 CYS H . 51655 1 616 . 1 . 1 57 57 CYS HA H 1 4.322 0.00 . . . . . . . 57 CYS HA . 51655 1 617 . 1 . 1 57 57 CYS HB2 H 1 3.380 0.00 . . . . . . . 57 CYS HB2 . 51655 1 618 . 1 . 1 57 57 CYS HB3 H 1 2.455 0.00 . . . . . . . 57 CYS HB3 . 51655 1 619 . 1 . 1 57 57 CYS C C 13 174.532 0.00 . . . . . . . 57 CYS C . 51655 1 620 . 1 . 1 57 57 CYS CA C 13 57.381 0.00 . . . . . . . 57 CYS CA . 51655 1 621 . 1 . 1 57 57 CYS CB C 13 33.537 0.01 . . . . . . . 57 CYS CB . 51655 1 622 . 1 . 1 57 57 CYS N N 15 122.020 0.04 . . . . . . . 57 CYS N . 51655 1 623 . 1 . 1 58 58 ALA H H 1 7.952 0.00 . . . . . . . 58 ALA H . 51655 1 624 . 1 . 1 58 58 ALA HA H 1 3.136 0.00 . . . . . . . 58 ALA HA . 51655 1 625 . 1 . 1 58 58 ALA HB1 H 1 0.732 0.00 . . . . . . . 58 ALA HB . 51655 1 626 . 1 . 1 58 58 ALA HB2 H 1 0.732 0.00 . . . . . . . 58 ALA HB . 51655 1 627 . 1 . 1 58 58 ALA HB3 H 1 0.732 0.00 . . . . . . . 58 ALA HB . 51655 1 628 . 1 . 1 58 58 ALA C C 13 178.812 0.00 . . . . . . . 58 ALA C . 51655 1 629 . 1 . 1 58 58 ALA CA C 13 53.191 0.00 . . . . . . . 58 ALA CA . 51655 1 630 . 1 . 1 58 58 ALA CB C 13 17.155 0.00 . . . . . . . 58 ALA CB . 51655 1 631 . 1 . 1 58 58 ALA N N 15 128.077 0.03 . . . . . . . 58 ALA N . 51655 1 632 . 1 . 1 59 59 SER H H 1 9.618 0.00 . . . . . . . 59 SER H . 51655 1 633 . 1 . 1 59 59 SER HA H 1 4.401 0.00 . . . . . . . 59 SER HA . 51655 1 634 . 1 . 1 59 59 SER HB2 H 1 4.117 0.00 . . . . . . . 59 SER HB2 . 51655 1 635 . 1 . 1 59 59 SER C C 13 173.516 0.00 . . . . . . . 59 SER C . 51655 1 636 . 1 . 1 59 59 SER CA C 13 61.122 0.00 . . . . . . . 59 SER CA . 51655 1 637 . 1 . 1 59 59 SER CB C 13 63.811 0.00 . . . . . . . 59 SER CB . 51655 1 638 . 1 . 1 59 59 SER N N 15 119.096 0.03 . . . . . . . 59 SER N . 51655 1 639 . 1 . 1 60 60 CYS H H 1 8.078 0.00 . . . . . . . 60 CYS H . 51655 1 640 . 1 . 1 60 60 CYS HA H 1 4.777 0.00 . . . . . . . 60 CYS HA . 51655 1 641 . 1 . 1 60 60 CYS HB2 H 1 3.068 0.00 . . . . . . . 60 CYS HB2 . 51655 1 642 . 1 . 1 60 60 CYS HB3 H 1 3.068 0.00 . . . . . . . 60 CYS HB3 . 51655 1 643 . 1 . 1 60 60 CYS CA C 13 56.040 0.00 . . . . . . . 60 CYS CA . 51655 1 644 . 1 . 1 60 60 CYS CB C 13 28.035 0.00 . . . . . . . 60 CYS CB . 51655 1 645 . 1 . 1 60 60 CYS N N 15 124.837 0.01 . . . . . . . 60 CYS N . 51655 1 646 . 1 . 1 61 61 PRO HA H 1 4.493 0.00 . . . . . . . 61 PRO HA . 51655 1 647 . 1 . 1 61 61 PRO HB2 H 1 2.530 0.00 . . . . . . . 61 PRO HB2 . 51655 1 648 . 1 . 1 61 61 PRO HB3 H 1 2.055 0.00 . . . . . . . 61 PRO HB3 . 51655 1 649 . 1 . 1 61 61 PRO HG2 H 1 2.181 0.00 . . . . . . . 61 PRO HG2 . 51655 1 650 . 1 . 1 61 61 PRO HG3 H 1 2.103 0.00 . . . . . . . 61 PRO HG3 . 51655 1 651 . 1 . 1 61 61 PRO HD2 H 1 4.140 0.00 . . . . . . . 61 PRO HD2 . 51655 1 652 . 1 . 1 61 61 PRO HD3 H 1 4.140 0.00 . . . . . . . 61 PRO HD3 . 51655 1 653 . 1 . 1 61 61 PRO C C 13 177.926 0.00 . . . . . . . 61 PRO C . 51655 1 654 . 1 . 1 61 61 PRO CA C 13 65.267 0.00 . . . . . . . 61 PRO CA . 51655 1 655 . 1 . 1 61 61 PRO CB C 13 32.942 0.06 . . . . . . . 61 PRO CB . 51655 1 656 . 1 . 1 61 61 PRO CG C 13 27.688 0.02 . . . . . . . 61 PRO CG . 51655 1 657 . 1 . 1 61 61 PRO CD C 13 52.138 0.00 . . . . . . . 61 PRO CD . 51655 1 658 . 1 . 1 62 62 THR H H 1 7.593 0.00 . . . . . . . 62 THR H . 51655 1 659 . 1 . 1 62 62 THR HA H 1 4.401 0.00 . . . . . . . 62 THR HA . 51655 1 660 . 1 . 1 62 62 THR HB H 1 4.545 0.00 . . . . . . . 62 THR HB . 51655 1 661 . 1 . 1 62 62 THR HG21 H 1 1.152 0.00 . . . . . . . 62 THR HG2 . 51655 1 662 . 1 . 1 62 62 THR HG22 H 1 1.152 0.00 . . . . . . . 62 THR HG2 . 51655 1 663 . 1 . 1 62 62 THR HG23 H 1 1.152 0.00 . . . . . . . 62 THR HG2 . 51655 1 664 . 1 . 1 62 62 THR C C 13 174.275 0.00 . . . . . . . 62 THR C . 51655 1 665 . 1 . 1 62 62 THR CA C 13 61.122 0.00 . . . . . . . 62 THR CA . 51655 1 666 . 1 . 1 62 62 THR CB C 13 68.265 0.00 . . . . . . . 62 THR CB . 51655 1 667 . 1 . 1 62 62 THR CG2 C 13 21.992 0.00 . . . . . . . 62 THR CG2 . 51655 1 668 . 1 . 1 62 62 THR N N 15 107.153 0.04 . . . . . . . 62 THR N . 51655 1 669 . 1 . 1 63 63 PHE H H 1 7.796 0.00 . . . . . . . 63 PHE H . 51655 1 670 . 1 . 1 63 63 PHE HA H 1 4.318 0.00 . . . . . . . 63 PHE HA . 51655 1 671 . 1 . 1 63 63 PHE HB2 H 1 3.174 0.00 . . . . . . . 63 PHE HB2 . 51655 1 672 . 1 . 1 63 63 PHE HB3 H 1 2.937 0.00 . . . . . . . 63 PHE HB3 . 51655 1 673 . 1 . 1 63 63 PHE C C 13 175.255 0.00 . . . . . . . 63 PHE C . 51655 1 674 . 1 . 1 63 63 PHE CA C 13 58.796 0.00 . . . . . . . 63 PHE CA . 51655 1 675 . 1 . 1 63 63 PHE CB C 13 41.092 0.00 . . . . . . . 63 PHE CB . 51655 1 676 . 1 . 1 63 63 PHE N N 15 124.839 0.00 . . . . . . . 63 PHE N . 51655 1 677 . 1 . 1 64 64 LEU H H 1 7.574 0.00 . . . . . . . 64 LEU H . 51655 1 678 . 1 . 1 64 64 LEU HA H 1 4.393 0.00 . . . . . . . 64 LEU HA . 51655 1 679 . 1 . 1 64 64 LEU HB2 H 1 1.403 0.00 . . . . . . . 64 LEU HB2 . 51655 1 680 . 1 . 1 64 64 LEU HB3 H 1 1.341 0.00 . . . . . . . 64 LEU HB3 . 51655 1 681 . 1 . 1 64 64 LEU HG H 1 1.530 0.00 . . . . . . . 64 LEU HG . 51655 1 682 . 1 . 1 64 64 LEU HD11 H 1 0.891 0.00 . . . . . . . 64 LEU HD1 . 51655 1 683 . 1 . 1 64 64 LEU HD12 H 1 0.891 0.00 . . . . . . . 64 LEU HD1 . 51655 1 684 . 1 . 1 64 64 LEU HD13 H 1 0.891 0.00 . . . . . . . 64 LEU HD1 . 51655 1 685 . 1 . 1 64 64 LEU HD21 H 1 0.825 0.00 . . . . . . . 64 LEU HD2 . 51655 1 686 . 1 . 1 64 64 LEU HD22 H 1 0.825 0.00 . . . . . . . 64 LEU HD2 . 51655 1 687 . 1 . 1 64 64 LEU HD23 H 1 0.825 0.00 . . . . . . . 64 LEU HD2 . 51655 1 688 . 1 . 1 64 64 LEU C C 13 174.371 0.00 . . . . . . . 64 LEU C . 51655 1 689 . 1 . 1 64 64 LEU CA C 13 53.555 0.00 . . . . . . . 64 LEU CA . 51655 1 690 . 1 . 1 64 64 LEU CB C 13 41.554 0.01 . . . . . . . 64 LEU CB . 51655 1 691 . 1 . 1 64 64 LEU CG C 13 26.880 0.00 . . . . . . . 64 LEU CG . 51655 1 692 . 1 . 1 64 64 LEU CD1 C 13 24.900 0.00 . . . . . . . 64 LEU CD1 . 51655 1 693 . 1 . 1 64 64 LEU CD2 C 13 24.099 0.00 . . . . . . . 64 LEU CD2 . 51655 1 694 . 1 . 1 64 64 LEU N N 15 130.851 0.03 . . . . . . . 64 LEU N . 51655 1 695 . 1 . 1 65 65 ARG H H 1 8.002 0.00 . . . . . . . 65 ARG H . 51655 1 696 . 1 . 1 65 65 ARG HA H 1 4.081 0.00 . . . . . . . 65 ARG HA . 51655 1 697 . 1 . 1 65 65 ARG HB2 H 1 1.841 0.00 . . . . . . . 65 ARG HB2 . 51655 1 698 . 1 . 1 65 65 ARG HG2 H 1 1.896 0.00 . . . . . . . 65 ARG HG2 . 51655 1 699 . 1 . 1 65 65 ARG HG3 H 1 1.787 0.00 . . . . . . . 65 ARG HG3 . 51655 1 700 . 1 . 1 65 65 ARG HD2 H 1 3.320 0.00 . . . . . . . 65 ARG HD2 . 51655 1 701 . 1 . 1 65 65 ARG C C 13 175.798 0.00 . . . . . . . 65 ARG C . 51655 1 702 . 1 . 1 65 65 ARG CA C 13 57.558 0.00 . . . . . . . 65 ARG CA . 51655 1 703 . 1 . 1 65 65 ARG CB C 13 30.644 0.00 . . . . . . . 65 ARG CB . 51655 1 704 . 1 . 1 65 65 ARG CG C 13 27.601 0.01 . . . . . . . 65 ARG CG . 51655 1 705 . 1 . 1 65 65 ARG CD C 13 43.377 0.00 . . . . . . . 65 ARG CD . 51655 1 706 . 1 . 1 65 65 ARG N N 15 122.877 0.04 . . . . . . . 65 ARG N . 51655 1 707 . 1 . 1 66 66 MET H H 1 8.488 0.00 . . . . . . . 66 MET H . 51655 1 708 . 1 . 1 66 66 MET HA H 1 4.790 0.00 . . . . . . . 66 MET HA . 51655 1 709 . 1 . 1 66 66 MET HB2 H 1 2.172 0.00 . . . . . . . 66 MET HB2 . 51655 1 710 . 1 . 1 66 66 MET HB3 H 1 2.052 0.00 . . . . . . . 66 MET HB3 . 51655 1 711 . 1 . 1 66 66 MET HG2 H 1 2.705 0.00 . . . . . . . 66 MET HG2 . 51655 1 712 . 1 . 1 66 66 MET HG3 H 1 2.586 0.00 . . . . . . . 66 MET HG3 . 51655 1 713 . 1 . 1 66 66 MET HE1 H 1 2.170 0.00 . . . . . . . 66 MET HE . 51655 1 714 . 1 . 1 66 66 MET HE2 H 1 2.170 0.00 . . . . . . . 66 MET HE . 51655 1 715 . 1 . 1 66 66 MET HE3 H 1 2.170 0.00 . . . . . . . 66 MET HE . 51655 1 716 . 1 . 1 66 66 MET C C 13 175.205 0.00 . . . . . . . 66 MET C . 51655 1 717 . 1 . 1 66 66 MET CA C 13 54.105 0.00 . . . . . . . 66 MET CA . 51655 1 718 . 1 . 1 66 66 MET CB C 13 36.800 0.01 . . . . . . . 66 MET CB . 51655 1 719 . 1 . 1 66 66 MET CG C 13 31.619 0.00 . . . . . . . 66 MET CG . 51655 1 720 . 1 . 1 66 66 MET CE C 13 17.878 0.00 . . . . . . . 66 MET CE . 51655 1 721 . 1 . 1 66 66 MET N N 15 121.072 0.01 . . . . . . . 66 MET N . 51655 1 722 . 1 . 1 67 67 ASP H H 1 8.505 0.00 . . . . . . . 67 ASP H . 51655 1 723 . 1 . 1 67 67 ASP HA H 1 4.680 0.00 . . . . . . . 67 ASP HA . 51655 1 724 . 1 . 1 67 67 ASP HB2 H 1 3.117 0.00 . . . . . . . 67 ASP HB2 . 51655 1 725 . 1 . 1 67 67 ASP HB3 H 1 2.775 0.00 . . . . . . . 67 ASP HB3 . 51655 1 726 . 1 . 1 67 67 ASP C C 13 175.804 0.00 . . . . . . . 67 ASP C . 51655 1 727 . 1 . 1 67 67 ASP CA C 13 53.713 0.00 . . . . . . . 67 ASP CA . 51655 1 728 . 1 . 1 67 67 ASP CB C 13 41.665 0.00 . . . . . . . 67 ASP CB . 51655 1 729 . 1 . 1 67 67 ASP N N 15 120.566 0.05 . . . . . . . 67 ASP N . 51655 1 730 . 1 . 1 68 68 ASN H H 1 8.820 0.00 . . . . . . . 68 ASN H . 51655 1 731 . 1 . 1 68 68 ASN HA H 1 4.409 0.00 . . . . . . . 68 ASN HA . 51655 1 732 . 1 . 1 68 68 ASN HB2 H 1 3.172 0.00 . . . . . . . 68 ASN HB2 . 51655 1 733 . 1 . 1 68 68 ASN HB3 H 1 2.912 0.00 . . . . . . . 68 ASN HB3 . 51655 1 734 . 1 . 1 68 68 ASN HD21 H 1 7.577 0.00 . . . . . . . 68 ASN HD21 . 51655 1 735 . 1 . 1 68 68 ASN HD22 H 1 6.924 0.00 . . . . . . . 68 ASN HD22 . 51655 1 736 . 1 . 1 68 68 ASN C C 13 177.848 0.00 . . . . . . . 68 ASN C . 51655 1 737 . 1 . 1 68 68 ASN CA C 13 56.975 0.00 . . . . . . . 68 ASN CA . 51655 1 738 . 1 . 1 68 68 ASN CB C 13 37.822 0.03 . . . . . . . 68 ASN CB . 51655 1 739 . 1 . 1 68 68 ASN N N 15 118.557 0.03 . . . . . . . 68 ASN N . 51655 1 740 . 1 . 1 68 68 ASN ND2 N 15 110.371 0.00 . . . . . . . 68 ASN ND2 . 51655 1 741 . 1 . 1 69 69 ASN H H 1 8.544 0.00 . . . . . . . 69 ASN H . 51655 1 742 . 1 . 1 69 69 ASN HA H 1 4.547 0.00 . . . . . . . 69 ASN HA . 51655 1 743 . 1 . 1 69 69 ASN HB2 H 1 2.944 0.00 . . . . . . . 69 ASN HB2 . 51655 1 744 . 1 . 1 69 69 ASN HB3 H 1 2.868 0.00 . . . . . . . 69 ASN HB3 . 51655 1 745 . 1 . 1 69 69 ASN HD21 H 1 7.847 0.00 . . . . . . . 69 ASN HD21 . 51655 1 746 . 1 . 1 69 69 ASN HD22 H 1 7.012 0.00 . . . . . . . 69 ASN HD22 . 51655 1 747 . 1 . 1 69 69 ASN C C 13 177.495 0.00 . . . . . . . 69 ASN C . 51655 1 748 . 1 . 1 69 69 ASN CA C 13 56.604 0.00 . . . . . . . 69 ASN CA . 51655 1 749 . 1 . 1 69 69 ASN CB C 13 38.253 0.01 . . . . . . . 69 ASN CB . 51655 1 750 . 1 . 1 69 69 ASN N N 15 119.050 0.01 . . . . . . . 69 ASN N . 51655 1 751 . 1 . 1 69 69 ASN ND2 N 15 113.827 0.00 . . . . . . . 69 ASN ND2 . 51655 1 752 . 1 . 1 70 70 ALA H H 1 8.337 0.00 . . . . . . . 70 ALA H . 51655 1 753 . 1 . 1 70 70 ALA HA H 1 4.197 0.00 . . . . . . . 70 ALA HA . 51655 1 754 . 1 . 1 70 70 ALA HB1 H 1 1.580 0.00 . . . . . . . 70 ALA HB . 51655 1 755 . 1 . 1 70 70 ALA HB2 H 1 1.580 0.00 . . . . . . . 70 ALA HB . 51655 1 756 . 1 . 1 70 70 ALA HB3 H 1 1.580 0.00 . . . . . . . 70 ALA HB . 51655 1 757 . 1 . 1 70 70 ALA C C 13 181.056 0.00 . . . . . . . 70 ALA C . 51655 1 758 . 1 . 1 70 70 ALA CA C 13 54.848 0.00 . . . . . . . 70 ALA CA . 51655 1 759 . 1 . 1 70 70 ALA CB C 13 18.564 0.00 . . . . . . . 70 ALA CB . 51655 1 760 . 1 . 1 70 70 ALA N N 15 123.786 0.03 . . . . . . . 70 ALA N . 51655 1 761 . 1 . 1 71 71 ALA H H 1 8.867 0.00 . . . . . . . 71 ALA H . 51655 1 762 . 1 . 1 71 71 ALA HA H 1 4.333 0.00 . . . . . . . 71 ALA HA . 51655 1 763 . 1 . 1 71 71 ALA HB1 H 1 1.432 0.00 . . . . . . . 71 ALA HB . 51655 1 764 . 1 . 1 71 71 ALA HB2 H 1 1.432 0.00 . . . . . . . 71 ALA HB . 51655 1 765 . 1 . 1 71 71 ALA HB3 H 1 1.432 0.00 . . . . . . . 71 ALA HB . 51655 1 766 . 1 . 1 71 71 ALA C C 13 178.787 0.00 . . . . . . . 71 ALA C . 51655 1 767 . 1 . 1 71 71 ALA CA C 13 55.231 0.00 . . . . . . . 71 ALA CA . 51655 1 768 . 1 . 1 71 71 ALA CB C 13 18.842 0.00 . . . . . . . 71 ALA CB . 51655 1 769 . 1 . 1 71 71 ALA N N 15 121.934 0.01 . . . . . . . 71 ALA N . 51655 1 770 . 1 . 1 72 72 ALA H H 1 8.125 0.00 . . . . . . . 72 ALA H . 51655 1 771 . 1 . 1 72 72 ALA HA H 1 4.216 0.00 . . . . . . . 72 ALA HA . 51655 1 772 . 1 . 1 72 72 ALA HB1 H 1 1.528 0.00 . . . . . . . 72 ALA HB . 51655 1 773 . 1 . 1 72 72 ALA HB2 H 1 1.528 0.00 . . . . . . . 72 ALA HB . 51655 1 774 . 1 . 1 72 72 ALA HB3 H 1 1.528 0.00 . . . . . . . 72 ALA HB . 51655 1 775 . 1 . 1 72 72 ALA C C 13 179.981 0.00 . . . . . . . 72 ALA C . 51655 1 776 . 1 . 1 72 72 ALA CA C 13 56.029 0.00 . . . . . . . 72 ALA CA . 51655 1 777 . 1 . 1 72 72 ALA CB C 13 18.095 0.00 . . . . . . . 72 ALA CB . 51655 1 778 . 1 . 1 72 72 ALA N N 15 121.327 0.05 . . . . . . . 72 ALA N . 51655 1 779 . 1 . 1 73 73 ILE H H 1 7.325 0.00 . . . . . . . 73 ILE H . 51655 1 780 . 1 . 1 73 73 ILE HA H 1 3.852 0.00 . . . . . . . 73 ILE HA . 51655 1 781 . 1 . 1 73 73 ILE HB H 1 1.942 0.00 . . . . . . . 73 ILE HB . 51655 1 782 . 1 . 1 73 73 ILE HG12 H 1 1.728 0.00 . . . . . . . 73 ILE HG12 . 51655 1 783 . 1 . 1 73 73 ILE HG13 H 1 1.250 0.00 . . . . . . . 73 ILE HG13 . 51655 1 784 . 1 . 1 73 73 ILE HG21 H 1 0.982 0.00 . . . . . . . 73 ILE HG2 . 51655 1 785 . 1 . 1 73 73 ILE HG22 H 1 0.982 0.00 . . . . . . . 73 ILE HG2 . 51655 1 786 . 1 . 1 73 73 ILE HG23 H 1 0.982 0.00 . . . . . . . 73 ILE HG2 . 51655 1 787 . 1 . 1 73 73 ILE HD11 H 1 0.876 0.00 . . . . . . . 73 ILE HD1 . 51655 1 788 . 1 . 1 73 73 ILE HD12 H 1 0.876 0.00 . . . . . . . 73 ILE HD1 . 51655 1 789 . 1 . 1 73 73 ILE HD13 H 1 0.876 0.00 . . . . . . . 73 ILE HD1 . 51655 1 790 . 1 . 1 73 73 ILE C C 13 179.126 0.00 . . . . . . . 73 ILE C . 51655 1 791 . 1 . 1 73 73 ILE CA C 13 64.135 0.00 . . . . . . . 73 ILE CA . 51655 1 792 . 1 . 1 73 73 ILE CB C 13 38.666 0.00 . . . . . . . 73 ILE CB . 51655 1 793 . 1 . 1 73 73 ILE CG1 C 13 29.040 0.04 . . . . . . . 73 ILE CG1 . 51655 1 794 . 1 . 1 73 73 ILE CG2 C 13 17.591 0.00 . . . . . . . 73 ILE CG2 . 51655 1 795 . 1 . 1 73 73 ILE CD1 C 13 12.888 0.00 . . . . . . . 73 ILE CD1 . 51655 1 796 . 1 . 1 73 73 ILE N N 15 118.183 0.01 . . . . . . . 73 ILE N . 51655 1 797 . 1 . 1 74 74 LYS H H 1 8.473 0.00 . . . . . . . 74 LYS H . 51655 1 798 . 1 . 1 74 74 LYS HA H 1 4.158 0.00 . . . . . . . 74 LYS HA . 51655 1 799 . 1 . 1 74 74 LYS HB2 H 1 2.101 0.00 . . . . . . . 74 LYS HB2 . 51655 1 800 . 1 . 1 74 74 LYS HB3 H 1 1.874 0.00 . . . . . . . 74 LYS HB3 . 51655 1 801 . 1 . 1 74 74 LYS HG2 H 1 1.450 0.00 . . . . . . . 74 LYS HG2 . 51655 1 802 . 1 . 1 74 74 LYS HD2 H 1 1.776 0.00 . . . . . . . 74 LYS HD2 . 51655 1 803 . 1 . 1 74 74 LYS HD3 H 1 1.717 0.00 . . . . . . . 74 LYS HD3 . 51655 1 804 . 1 . 1 74 74 LYS HE2 H 1 2.949 0.00 . . . . . . . 74 LYS HE2 . 51655 1 805 . 1 . 1 74 74 LYS HE3 H 1 2.693 0.00 . . . . . . . 74 LYS HE3 . 51655 1 806 . 1 . 1 74 74 LYS C C 13 177.834 0.00 . . . . . . . 74 LYS C . 51655 1 807 . 1 . 1 74 74 LYS CA C 13 57.298 0.00 . . . . . . . 74 LYS CA . 51655 1 808 . 1 . 1 74 74 LYS CB C 13 31.568 0.00 . . . . . . . 74 LYS CB . 51655 1 809 . 1 . 1 74 74 LYS CG C 13 25.002 0.00 . . . . . . . 74 LYS CG . 51655 1 810 . 1 . 1 74 74 LYS CD C 13 28.371 0.01 . . . . . . . 74 LYS CD . 51655 1 811 . 1 . 1 74 74 LYS CE C 13 42.096 0.13 . . . . . . . 74 LYS CE . 51655 1 812 . 1 . 1 74 74 LYS N N 15 121.989 0.02 . . . . . . . 74 LYS N . 51655 1 813 . 1 . 1 75 75 ALA H H 1 8.810 0.00 . . . . . . . 75 ALA H . 51655 1 814 . 1 . 1 75 75 ALA HA H 1 3.771 0.00 . . . . . . . 75 ALA HA . 51655 1 815 . 1 . 1 75 75 ALA HB1 H 1 1.730 0.00 . . . . . . . 75 ALA HB . 51655 1 816 . 1 . 1 75 75 ALA HB2 H 1 1.730 0.00 . . . . . . . 75 ALA HB . 51655 1 817 . 1 . 1 75 75 ALA HB3 H 1 1.730 0.00 . . . . . . . 75 ALA HB . 51655 1 818 . 1 . 1 75 75 ALA C C 13 178.345 0.00 . . . . . . . 75 ALA C . 51655 1 819 . 1 . 1 75 75 ALA CA C 13 56.110 0.00 . . . . . . . 75 ALA CA . 51655 1 820 . 1 . 1 75 75 ALA CB C 13 18.268 0.00 . . . . . . . 75 ALA CB . 51655 1 821 . 1 . 1 75 75 ALA N N 15 121.656 0.00 . . . . . . . 75 ALA N . 51655 1 822 . 1 . 1 76 76 LEU H H 1 6.960 0.00 . . . . . . . 76 LEU H . 51655 1 823 . 1 . 1 76 76 LEU HA H 1 4.099 0.00 . . . . . . . 76 LEU HA . 51655 1 824 . 1 . 1 76 76 LEU HB2 H 1 1.857 0.00 . . . . . . . 76 LEU HB2 . 51655 1 825 . 1 . 1 76 76 LEU HG H 1 1.787 0.00 . . . . . . . 76 LEU HG . 51655 1 826 . 1 . 1 76 76 LEU HD11 H 1 1.037 0.00 . . . . . . . 76 LEU HD1 . 51655 1 827 . 1 . 1 76 76 LEU HD12 H 1 1.037 0.00 . . . . . . . 76 LEU HD1 . 51655 1 828 . 1 . 1 76 76 LEU HD13 H 1 1.037 0.00 . . . . . . . 76 LEU HD1 . 51655 1 829 . 1 . 1 76 76 LEU HD21 H 1 0.972 0.00 . . . . . . . 76 LEU HD2 . 51655 1 830 . 1 . 1 76 76 LEU HD22 H 1 0.972 0.00 . . . . . . . 76 LEU HD2 . 51655 1 831 . 1 . 1 76 76 LEU HD23 H 1 0.972 0.00 . . . . . . . 76 LEU HD2 . 51655 1 832 . 1 . 1 76 76 LEU C C 13 178.855 0.00 . . . . . . . 76 LEU C . 51655 1 833 . 1 . 1 76 76 LEU CA C 13 57.983 0.00 . . . . . . . 76 LEU CA . 51655 1 834 . 1 . 1 76 76 LEU CB C 13 42.056 0.00 . . . . . . . 76 LEU CB . 51655 1 835 . 1 . 1 76 76 LEU CG C 13 27.591 0.00 . . . . . . . 76 LEU CG . 51655 1 836 . 1 . 1 76 76 LEU CD1 C 13 24.785 0.00 . . . . . . . 76 LEU CD1 . 51655 1 837 . 1 . 1 76 76 LEU CD2 C 13 24.672 0.00 . . . . . . . 76 LEU CD2 . 51655 1 838 . 1 . 1 76 76 LEU N N 15 115.133 0.01 . . . . . . . 76 LEU N . 51655 1 839 . 1 . 1 77 77 GLU H H 1 7.301 0.00 . . . . . . . 77 GLU H . 51655 1 840 . 1 . 1 77 77 GLU HA H 1 3.930 0.00 . . . . . . . 77 GLU HA . 51655 1 841 . 1 . 1 77 77 GLU HB2 H 1 2.140 0.00 . . . . . . . 77 GLU HB2 . 51655 1 842 . 1 . 1 77 77 GLU HG2 H 1 2.398 0.00 . . . . . . . 77 GLU HG2 . 51655 1 843 . 1 . 1 77 77 GLU HG3 H 1 2.142 0.00 . . . . . . . 77 GLU HG3 . 51655 1 844 . 1 . 1 77 77 GLU C C 13 178.772 0.00 . . . . . . . 77 GLU C . 51655 1 845 . 1 . 1 77 77 GLU CA C 13 59.414 0.00 . . . . . . . 77 GLU CA . 51655 1 846 . 1 . 1 77 77 GLU CB C 13 29.527 0.00 . . . . . . . 77 GLU CB . 51655 1 847 . 1 . 1 77 77 GLU CG C 13 35.959 0.01 . . . . . . . 77 GLU CG . 51655 1 848 . 1 . 1 77 77 GLU N N 15 119.796 0.01 . . . . . . . 77 GLU N . 51655 1 849 . 1 . 1 78 78 LEU H H 1 8.399 0.00 . . . . . . . 78 LEU H . 51655 1 850 . 1 . 1 78 78 LEU HA H 1 3.590 0.00 . . . . . . . 78 LEU HA . 51655 1 851 . 1 . 1 78 78 LEU HB2 H 1 1.174 0.00 . . . . . . . 78 LEU HB2 . 51655 1 852 . 1 . 1 78 78 LEU HB3 H 1 0.550 0.00 . . . . . . . 78 LEU HB3 . 51655 1 853 . 1 . 1 78 78 LEU HG H 1 0.839 0.00 . . . . . . . 78 LEU HG . 51655 1 854 . 1 . 1 78 78 LEU HD11 H 1 0.114 0.00 . . . . . . . 78 LEU HD1 . 51655 1 855 . 1 . 1 78 78 LEU HD12 H 1 0.114 0.00 . . . . . . . 78 LEU HD1 . 51655 1 856 . 1 . 1 78 78 LEU HD13 H 1 0.114 0.00 . . . . . . . 78 LEU HD1 . 51655 1 857 . 1 . 1 78 78 LEU HD21 H 1 0.114 0.00 . . . . . . . 78 LEU HD2 . 51655 1 858 . 1 . 1 78 78 LEU HD22 H 1 0.114 0.00 . . . . . . . 78 LEU HD2 . 51655 1 859 . 1 . 1 78 78 LEU HD23 H 1 0.114 0.00 . . . . . . . 78 LEU HD2 . 51655 1 860 . 1 . 1 78 78 LEU C C 13 178.483 0.00 . . . . . . . 78 LEU C . 51655 1 861 . 1 . 1 78 78 LEU CA C 13 57.057 0.00 . . . . . . . 78 LEU CA . 51655 1 862 . 1 . 1 78 78 LEU CB C 13 39.665 0.02 . . . . . . . 78 LEU CB . 51655 1 863 . 1 . 1 78 78 LEU CG C 13 27.557 0.00 . . . . . . . 78 LEU CG . 51655 1 864 . 1 . 1 78 78 LEU CD1 C 13 21.006 0.00 . . . . . . . 78 LEU CD1 . 51655 1 865 . 1 . 1 78 78 LEU CD2 C 13 21.006 0.00 . . . . . . . 78 LEU CD2 . 51655 1 866 . 1 . 1 78 78 LEU N N 15 117.394 0.04 . . . . . . . 78 LEU N . 51655 1 867 . 1 . 1 79 79 TYR H H 1 7.508 0.00 . . . . . . . 79 TYR H . 51655 1 868 . 1 . 1 79 79 TYR HA H 1 4.106 0.00 . . . . . . . 79 TYR HA . 51655 1 869 . 1 . 1 79 79 TYR HB2 H 1 3.214 0.00 . . . . . . . 79 TYR HB2 . 51655 1 870 . 1 . 1 79 79 TYR HB3 H 1 3.056 0.00 . . . . . . . 79 TYR HB3 . 51655 1 871 . 1 . 1 79 79 TYR HD1 H 1 7.118 0.00 . . . . . . . 79 TYR HD1 . 51655 1 872 . 1 . 1 79 79 TYR HE1 H 1 6.914 0.00 . . . . . . . 79 TYR HE1 . 51655 1 873 . 1 . 1 79 79 TYR HE2 H 1 6.914 0.00 . . . . . . . 79 TYR HE2 . 51655 1 874 . 1 . 1 79 79 TYR C C 13 178.692 0.00 . . . . . . . 79 TYR C . 51655 1 875 . 1 . 1 79 79 TYR CA C 13 60.811 0.00 . . . . . . . 79 TYR CA . 51655 1 876 . 1 . 1 79 79 TYR CB C 13 38.630 0.03 . . . . . . . 79 TYR CB . 51655 1 877 . 1 . 1 79 79 TYR CD1 C 13 133.169 0.00 . . . . . . . 79 TYR CD1 . 51655 1 878 . 1 . 1 79 79 TYR CE1 C 13 118.058 0.00 . . . . . . . 79 TYR CE1 . 51655 1 879 . 1 . 1 79 79 TYR CE2 C 13 118.503 0.00 . . . . . . . 79 TYR CE2 . 51655 1 880 . 1 . 1 79 79 TYR N N 15 118.759 0.01 . . . . . . . 79 TYR N . 51655 1 881 . 1 . 1 80 80 LYS H H 1 7.838 0.00 . . . . . . . 80 LYS H . 51655 1 882 . 1 . 1 80 80 LYS HA H 1 3.618 0.00 . . . . . . . 80 LYS HA . 51655 1 883 . 1 . 1 80 80 LYS HB2 H 1 1.974 0.00 . . . . . . . 80 LYS HB2 . 51655 1 884 . 1 . 1 80 80 LYS HG2 H 1 1.721 0.00 . . . . . . . 80 LYS HG2 . 51655 1 885 . 1 . 1 80 80 LYS HG3 H 1 1.444 0.00 . . . . . . . 80 LYS HG3 . 51655 1 886 . 1 . 1 80 80 LYS HD2 H 1 1.684 0.00 . . . . . . . 80 LYS HD2 . 51655 1 887 . 1 . 1 80 80 LYS HE2 H 1 2.949 0.00 . . . . . . . 80 LYS HE2 . 51655 1 888 . 1 . 1 80 80 LYS C C 13 178.333 0.00 . . . . . . . 80 LYS C . 51655 1 889 . 1 . 1 80 80 LYS CA C 13 59.696 0.00 . . . . . . . 80 LYS CA . 51655 1 890 . 1 . 1 80 80 LYS CB C 13 32.717 0.00 . . . . . . . 80 LYS CB . 51655 1 891 . 1 . 1 80 80 LYS CG C 13 25.746 0.01 . . . . . . . 80 LYS CG . 51655 1 892 . 1 . 1 80 80 LYS CD C 13 29.251 0.00 . . . . . . . 80 LYS CD . 51655 1 893 . 1 . 1 80 80 LYS CE C 13 42.230 0.00 . . . . . . . 80 LYS CE . 51655 1 894 . 1 . 1 80 80 LYS N N 15 120.524 0.01 . . . . . . . 80 LYS N . 51655 1 895 . 1 . 1 81 81 ILE H H 1 7.370 0.00 . . . . . . . 81 ILE H . 51655 1 896 . 1 . 1 81 81 ILE HA H 1 4.401 0.00 . . . . . . . 81 ILE HA . 51655 1 897 . 1 . 1 81 81 ILE HB H 1 2.174 0.00 . . . . . . . 81 ILE HB . 51655 1 898 . 1 . 1 81 81 ILE HG12 H 1 1.443 0.00 . . . . . . . 81 ILE HG12 . 51655 1 899 . 1 . 1 81 81 ILE HG13 H 1 1.115 0.00 . . . . . . . 81 ILE HG13 . 51655 1 900 . 1 . 1 81 81 ILE HG21 H 1 0.874 0.00 . . . . . . . 81 ILE HG2 . 51655 1 901 . 1 . 1 81 81 ILE HG22 H 1 0.874 0.00 . . . . . . . 81 ILE HG2 . 51655 1 902 . 1 . 1 81 81 ILE HG23 H 1 0.874 0.00 . . . . . . . 81 ILE HG2 . 51655 1 903 . 1 . 1 81 81 ILE HD11 H 1 0.744 0.00 . . . . . . . 81 ILE HD1 . 51655 1 904 . 1 . 1 81 81 ILE HD12 H 1 0.744 0.00 . . . . . . . 81 ILE HD1 . 51655 1 905 . 1 . 1 81 81 ILE HD13 H 1 0.744 0.00 . . . . . . . 81 ILE HD1 . 51655 1 906 . 1 . 1 81 81 ILE C C 13 175.824 0.00 . . . . . . . 81 ILE C . 51655 1 907 . 1 . 1 81 81 ILE CA C 13 61.122 0.00 . . . . . . . 81 ILE CA . 51655 1 908 . 1 . 1 81 81 ILE CB C 13 38.329 0.00 . . . . . . . 81 ILE CB . 51655 1 909 . 1 . 1 81 81 ILE CG1 C 13 26.048 0.00 . . . . . . . 81 ILE CG1 . 51655 1 910 . 1 . 1 81 81 ILE CG2 C 13 17.293 0.00 . . . . . . . 81 ILE CG2 . 51655 1 911 . 1 . 1 81 81 ILE CD1 C 13 13.897 0.00 . . . . . . . 81 ILE CD1 . 51655 1 912 . 1 . 1 81 81 ILE N N 15 109.120 0.04 . . . . . . . 81 ILE N . 51655 1 913 . 1 . 1 82 82 ASN H H 1 7.803 0.00 . . . . . . . 82 ASN H . 51655 1 914 . 1 . 1 82 82 ASN HA H 1 4.321 0.00 . . . . . . . 82 ASN HA . 51655 1 915 . 1 . 1 82 82 ASN HB2 H 1 3.102 0.00 . . . . . . . 82 ASN HB2 . 51655 1 916 . 1 . 1 82 82 ASN HB3 H 1 2.615 0.00 . . . . . . . 82 ASN HB3 . 51655 1 917 . 1 . 1 82 82 ASN HD21 H 1 7.486 0.00 . . . . . . . 82 ASN HD21 . 51655 1 918 . 1 . 1 82 82 ASN HD22 H 1 6.747 0.00 . . . . . . . 82 ASN HD22 . 51655 1 919 . 1 . 1 82 82 ASN C C 13 174.613 0.00 . . . . . . . 82 ASN C . 51655 1 920 . 1 . 1 82 82 ASN CA C 13 54.126 0.00 . . . . . . . 82 ASN CA . 51655 1 921 . 1 . 1 82 82 ASN CB C 13 37.189 0.00 . . . . . . . 82 ASN CB . 51655 1 922 . 1 . 1 82 82 ASN N N 15 120.968 0.01 . . . . . . . 82 ASN N . 51655 1 923 . 1 . 1 82 82 ASN ND2 N 15 112.278 0.02 . . . . . . . 82 ASN ND2 . 51655 1 924 . 1 . 1 83 83 ALA H H 1 7.744 0.00 . . . . . . . 83 ALA H . 51655 1 925 . 1 . 1 83 83 ALA HA H 1 4.215 0.00 . . . . . . . 83 ALA HA . 51655 1 926 . 1 . 1 83 83 ALA HB1 H 1 1.152 0.00 . . . . . . . 83 ALA HB . 51655 1 927 . 1 . 1 83 83 ALA HB2 H 1 1.152 0.00 . . . . . . . 83 ALA HB . 51655 1 928 . 1 . 1 83 83 ALA HB3 H 1 1.152 0.00 . . . . . . . 83 ALA HB . 51655 1 929 . 1 . 1 83 83 ALA C C 13 177.932 0.00 . . . . . . . 83 ALA C . 51655 1 930 . 1 . 1 83 83 ALA CA C 13 52.095 0.00 . . . . . . . 83 ALA CA . 51655 1 931 . 1 . 1 83 83 ALA CB C 13 20.670 0.00 . . . . . . . 83 ALA CB . 51655 1 932 . 1 . 1 83 83 ALA N N 15 119.301 0.03 . . . . . . . 83 ALA N . 51655 1 933 . 1 . 1 84 84 LYS H H 1 8.673 0.00 . . . . . . . 84 LYS H . 51655 1 934 . 1 . 1 84 84 LYS HA H 1 4.061 0.00 . . . . . . . 84 LYS HA . 51655 1 935 . 1 . 1 84 84 LYS HB2 H 1 1.932 0.00 . . . . . . . 84 LYS HB2 . 51655 1 936 . 1 . 1 84 84 LYS HG2 H 1 1.403 0.00 . . . . . . . 84 LYS HG2 . 51655 1 937 . 1 . 1 84 84 LYS HG3 H 1 1.297 0.00 . . . . . . . 84 LYS HG3 . 51655 1 938 . 1 . 1 84 84 LYS HD2 H 1 1.726 0.00 . . . . . . . 84 LYS HD2 . 51655 1 939 . 1 . 1 84 84 LYS HE2 H 1 3.007 0.00 . . . . . . . 84 LYS HE2 . 51655 1 940 . 1 . 1 84 84 LYS C C 13 176.168 0.00 . . . . . . . 84 LYS C . 51655 1 941 . 1 . 1 84 84 LYS CA C 13 58.367 0.00 . . . . . . . 84 LYS CA . 51655 1 942 . 1 . 1 84 84 LYS CB C 13 32.669 0.00 . . . . . . . 84 LYS CB . 51655 1 943 . 1 . 1 84 84 LYS CG C 13 25.025 0.01 . . . . . . . 84 LYS CG . 51655 1 944 . 1 . 1 84 84 LYS CD C 13 29.353 0.00 . . . . . . . 84 LYS CD . 51655 1 945 . 1 . 1 84 84 LYS CE C 13 42.325 0.00 . . . . . . . 84 LYS CE . 51655 1 946 . 1 . 1 84 84 LYS N N 15 122.658 0.02 . . . . . . . 84 LYS N . 51655 1 947 . 1 . 1 85 85 LEU H H 1 8.521 0.00 . . . . . . . 85 LEU H . 51655 1 948 . 1 . 1 85 85 LEU HA H 1 5.048 0.00 . . . . . . . 85 LEU HA . 51655 1 949 . 1 . 1 85 85 LEU HB2 H 1 1.418 0.00 . . . . . . . 85 LEU HB2 . 51655 1 950 . 1 . 1 85 85 LEU HB3 H 1 1.354 0.00 . . . . . . . 85 LEU HB3 . 51655 1 951 . 1 . 1 85 85 LEU HG H 1 1.303 0.00 . . . . . . . 85 LEU HG . 51655 1 952 . 1 . 1 85 85 LEU HD11 H 1 0.454 0.00 . . . . . . . 85 LEU HD1 . 51655 1 953 . 1 . 1 85 85 LEU HD12 H 1 0.454 0.00 . . . . . . . 85 LEU HD1 . 51655 1 954 . 1 . 1 85 85 LEU HD13 H 1 0.454 0.00 . . . . . . . 85 LEU HD1 . 51655 1 955 . 1 . 1 85 85 LEU HD21 H 1 0.179 0.00 . . . . . . . 85 LEU HD2 . 51655 1 956 . 1 . 1 85 85 LEU HD22 H 1 0.179 0.00 . . . . . . . 85 LEU HD2 . 51655 1 957 . 1 . 1 85 85 LEU HD23 H 1 0.179 0.00 . . . . . . . 85 LEU HD2 . 51655 1 958 . 1 . 1 85 85 LEU C C 13 177.750 0.00 . . . . . . . 85 LEU C . 51655 1 959 . 1 . 1 85 85 LEU CA C 13 53.029 0.00 . . . . . . . 85 LEU CA . 51655 1 960 . 1 . 1 85 85 LEU CB C 13 43.863 0.01 . . . . . . . 85 LEU CB . 51655 1 961 . 1 . 1 85 85 LEU CG C 13 26.792 0.00 . . . . . . . 85 LEU CG . 51655 1 962 . 1 . 1 85 85 LEU CD1 C 13 24.821 0.00 . . . . . . . 85 LEU CD1 . 51655 1 963 . 1 . 1 85 85 LEU CD2 C 13 24.696 0.00 . . . . . . . 85 LEU CD2 . 51655 1 964 . 1 . 1 85 85 LEU N N 15 129.815 0.03 . . . . . . . 85 LEU N . 51655 1 965 . 1 . 1 86 86 CYS H H 1 8.599 0.00 . . . . . . . 86 CYS H . 51655 1 966 . 1 . 1 86 86 CYS HA H 1 4.099 0.00 . . . . . . . 86 CYS HA . 51655 1 967 . 1 . 1 86 86 CYS HB2 H 1 3.036 0.00 . . . . . . . 86 CYS HB2 . 51655 1 968 . 1 . 1 86 86 CYS HB3 H 1 2.804 0.00 . . . . . . . 86 CYS HB3 . 51655 1 969 . 1 . 1 86 86 CYS C C 13 176.212 0.00 . . . . . . . 86 CYS C . 51655 1 970 . 1 . 1 86 86 CYS CA C 13 61.483 0.00 . . . . . . . 86 CYS CA . 51655 1 971 . 1 . 1 86 86 CYS CB C 13 31.044 0.01 . . . . . . . 86 CYS CB . 51655 1 972 . 1 . 1 86 86 CYS N N 15 126.065 0.03 . . . . . . . 86 CYS N . 51655 1 973 . 1 . 1 87 87 ASP H H 1 8.605 0.00 . . . . . . . 87 ASP H . 51655 1 974 . 1 . 1 87 87 ASP HA H 1 4.835 0.00 . . . . . . . 87 ASP HA . 51655 1 975 . 1 . 1 87 87 ASP HB2 H 1 2.728 0.00 . . . . . . . 87 ASP HB2 . 51655 1 976 . 1 . 1 87 87 ASP HB3 H 1 2.498 0.00 . . . . . . . 87 ASP HB3 . 51655 1 977 . 1 . 1 87 87 ASP CA C 13 52.606 0.00 . . . . . . . 87 ASP CA . 51655 1 978 . 1 . 1 87 87 ASP CB C 13 40.846 0.02 . . . . . . . 87 ASP CB . 51655 1 979 . 1 . 1 87 87 ASP N N 15 123.392 0.00 . . . . . . . 87 ASP N . 51655 1 980 . 1 . 1 88 88 PRO HA H 1 4.463 0.00 . . . . . . . 88 PRO HA . 51655 1 981 . 1 . 1 88 88 PRO HB2 H 1 2.244 0.00 . . . . . . . 88 PRO HB2 . 51655 1 982 . 1 . 1 88 88 PRO HB3 H 1 1.859 0.00 . . . . . . . 88 PRO HB3 . 51655 1 983 . 1 . 1 88 88 PRO HG2 H 1 1.934 0.00 . . . . . . . 88 PRO HG2 . 51655 1 984 . 1 . 1 88 88 PRO HD2 H 1 3.827 0.00 . . . . . . . 88 PRO HD2 . 51655 1 985 . 1 . 1 88 88 PRO HD3 H 1 3.708 0.00 . . . . . . . 88 PRO HD3 . 51655 1 986 . 1 . 1 88 88 PRO C C 13 176.515 0.00 . . . . . . . 88 PRO C . 51655 1 987 . 1 . 1 88 88 PRO CA C 13 63.133 0.00 . . . . . . . 88 PRO CA . 51655 1 988 . 1 . 1 88 88 PRO CB C 13 32.221 0.01 . . . . . . . 88 PRO CB . 51655 1 989 . 1 . 1 88 88 PRO CG C 13 27.453 0.00 . . . . . . . 88 PRO CG . 51655 1 990 . 1 . 1 88 88 PRO CD C 13 50.629 0.01 . . . . . . . 88 PRO CD . 51655 1 991 . 1 . 1 89 89 HIS H H 1 8.511 0.00 . . . . . . . 89 HIS H . 51655 1 992 . 1 . 1 89 89 HIS HA H 1 4.845 0.00 . . . . . . . 89 HIS HA . 51655 1 993 . 1 . 1 89 89 HIS HB2 H 1 3.196 0.00 . . . . . . . 89 HIS HB2 . 51655 1 994 . 1 . 1 89 89 HIS HB3 H 1 3.198 0.00 . . . . . . . 89 HIS HB3 . 51655 1 995 . 1 . 1 89 89 HIS CA C 13 53.901 0.00 . . . . . . . 89 HIS CA . 51655 1 996 . 1 . 1 89 89 HIS CB C 13 28.846 0.00 . . . . . . . 89 HIS CB . 51655 1 997 . 1 . 1 89 89 HIS N N 15 121.117 0.01 . . . . . . . 89 HIS N . 51655 1 998 . 1 . 1 90 90 PRO HA H 1 4.299 0.00 . . . . . . . 90 PRO HA . 51655 1 999 . 1 . 1 90 90 PRO HB2 H 1 2.244 0.00 . . . . . . . 90 PRO HB2 . 51655 1 1000 . 1 . 1 90 90 PRO HB3 H 1 1.930 0.00 . . . . . . . 90 PRO HB3 . 51655 1 1001 . 1 . 1 90 90 PRO HG2 H 1 1.934 0.00 . . . . . . . 90 PRO HG2 . 51655 1 1002 . 1 . 1 90 90 PRO HG3 H 1 1.934 0.00 . . . . . . . 90 PRO HG3 . 51655 1 1003 . 1 . 1 90 90 PRO HD2 H 1 3.674 0.00 . . . . . . . 90 PRO HD2 . 51655 1 1004 . 1 . 1 90 90 PRO HD3 H 1 3.315 0.00 . . . . . . . 90 PRO HD3 . 51655 1 1005 . 1 . 1 90 90 PRO CA C 13 65.018 0.00 . . . . . . . 90 PRO CA . 51655 1 1006 . 1 . 1 90 90 PRO CB C 13 32.273 0.04 . . . . . . . 90 PRO CB . 51655 1 1007 . 1 . 1 90 90 PRO CG C 13 27.453 0.00 . . . . . . . 90 PRO CG . 51655 1 1008 . 1 . 1 90 90 PRO CD C 13 50.633 0.01 . . . . . . . 90 PRO CD . 51655 1 stop_ save_