data_19146 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19146 _Entry.Title ; Solution structure of RING domain of E3 ubiquitin ligase Doa10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-06 _Entry.Accession_date 2013-04-06 _Entry.Last_release_date 2014-05-05 _Entry.Original_release_date 2014-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jongsoo Lim . . . 19146 2 Woo-Sung Son . . . 19146 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19146 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Doa10 . 19146 'E3 ubiquitin ligase' . 19146 'RING domain' . 19146 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19146 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 19146 '15N chemical shifts' 83 19146 '1H chemical shifts' 542 19146 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-05-05 2013-04-06 original author . 19146 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 19146 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of RING domain of E3 ubiquitin ligase Doa10' _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.Entry_ID _Citation_author.Citation_ID 1 Hee-Chul Ahn . . . 19146 1 2 Jongsoo Lim . . . 19146 1 3 Woo-Sung Son . . . 19146 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19146 _Assembly.ID 1 _Assembly.Name 'RING domain of E3 ubiquitin ligase Doa10' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING domain of E3 ubiquitin ligase Doa10' 1 $entity_1 A . yes native no no . . . 19146 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19146 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19146 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VANEETDTATFNDDAPSGAT CRICRGEATEDNPLFHPCKC RGSIKYMHESCLLEWVASKN IDISKPGADVKCDICHYPIQ FKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9220.431 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M6M . "Solution Structure Of Ring Domain Of E3 Ubiquitin Ligase Doa10" . . . . . 100.00 83 100.00 100.00 2.47e-54 . . . . 19146 1 2 no DBJ GAA24084 . "K7_Ssm4p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 3 no EMBL CAA54133 . "SSM4 [Saccharomyces cerevisiae]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 4 no EMBL CAA86961 . "Ssm4p [Saccharomyces cerevisiae]" . . . . . 100.00 392 100.00 100.00 3.17e-54 . . . . 19146 1 5 no GB AHY75969 . "Ssm4p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 6 no GB AJP39437 . "Ssm4p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 7 no GB AJR36730 . "Ssm4p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 8 no GB AJR36925 . "Ssm4p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 9 no GB AJR37116 . "Ssm4p [Saccharomyces cerevisiae YJM195]" . . . . . 100.00 1319 98.80 98.80 1.35e-53 . . . . 19146 1 10 no REF NP_012234 . "E3 ubiquitin-protein ligase SSM4 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 11 no SP P40318 . "RecName: Full=ERAD-associated E3 ubiquitin-protein ligase DOA10" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 1 12 no TPG DAA08517 . "TPA: E3 ubiquitin-protein ligase SSM4 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 1319 100.00 100.00 1.84e-54 . . . . 19146 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 19 VAL . 19146 1 2 20 ALA . 19146 1 3 21 ASN . 19146 1 4 22 GLU . 19146 1 5 23 GLU . 19146 1 6 24 THR . 19146 1 7 25 ASP . 19146 1 8 26 THR . 19146 1 9 27 ALA . 19146 1 10 28 THR . 19146 1 11 29 PHE . 19146 1 12 30 ASN . 19146 1 13 31 ASP . 19146 1 14 32 ASP . 19146 1 15 33 ALA . 19146 1 16 34 PRO . 19146 1 17 35 SER . 19146 1 18 36 GLY . 19146 1 19 37 ALA . 19146 1 20 38 THR . 19146 1 21 39 CYS . 19146 1 22 40 ARG . 19146 1 23 41 ILE . 19146 1 24 42 CYS . 19146 1 25 43 ARG . 19146 1 26 44 GLY . 19146 1 27 45 GLU . 19146 1 28 46 ALA . 19146 1 29 47 THR . 19146 1 30 48 GLU . 19146 1 31 49 ASP . 19146 1 32 50 ASN . 19146 1 33 51 PRO . 19146 1 34 52 LEU . 19146 1 35 53 PHE . 19146 1 36 54 HIS . 19146 1 37 55 PRO . 19146 1 38 56 CYS . 19146 1 39 57 LYS . 19146 1 40 58 CYS . 19146 1 41 59 ARG . 19146 1 42 60 GLY . 19146 1 43 61 SER . 19146 1 44 62 ILE . 19146 1 45 63 LYS . 19146 1 46 64 TYR . 19146 1 47 65 MET . 19146 1 48 66 HIS . 19146 1 49 67 GLU . 19146 1 50 68 SER . 19146 1 51 69 CYS . 19146 1 52 70 LEU . 19146 1 53 71 LEU . 19146 1 54 72 GLU . 19146 1 55 73 TRP . 19146 1 56 74 VAL . 19146 1 57 75 ALA . 19146 1 58 76 SER . 19146 1 59 77 LYS . 19146 1 60 78 ASN . 19146 1 61 79 ILE . 19146 1 62 80 ASP . 19146 1 63 81 ILE . 19146 1 64 82 SER . 19146 1 65 83 LYS . 19146 1 66 84 PRO . 19146 1 67 85 GLY . 19146 1 68 86 ALA . 19146 1 69 87 ASP . 19146 1 70 88 VAL . 19146 1 71 89 LYS . 19146 1 72 90 CYS . 19146 1 73 91 ASP . 19146 1 74 92 ILE . 19146 1 75 93 CYS . 19146 1 76 94 HIS . 19146 1 77 95 TYR . 19146 1 78 96 PRO . 19146 1 79 97 ILE . 19146 1 80 98 GLN . 19146 1 81 99 PHE . 19146 1 82 100 LYS . 19146 1 83 101 THR . 19146 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 . VAL 1 1 19146 1 . ALA 2 2 19146 1 . ASN 3 3 19146 1 . GLU 4 4 19146 1 . GLU 5 5 19146 1 . THR 6 6 19146 1 . ASP 7 7 19146 1 . THR 8 8 19146 1 . ALA 9 9 19146 1 . THR 10 10 19146 1 . PHE 11 11 19146 1 . ASN 12 12 19146 1 . ASP 13 13 19146 1 . ASP 14 14 19146 1 . ALA 15 15 19146 1 . PRO 16 16 19146 1 . SER 17 17 19146 1 . GLY 18 18 19146 1 . ALA 19 19 19146 1 . THR 20 20 19146 1 . CYS 21 21 19146 1 . ARG 22 22 19146 1 . ILE 23 23 19146 1 . CYS 24 24 19146 1 . ARG 25 25 19146 1 . GLY 26 26 19146 1 . GLU 27 27 19146 1 . ALA 28 28 19146 1 . THR 29 29 19146 1 . GLU 30 30 19146 1 . ASP 31 31 19146 1 . ASN 32 32 19146 1 . PRO 33 33 19146 1 . LEU 34 34 19146 1 . PHE 35 35 19146 1 . HIS 36 36 19146 1 . PRO 37 37 19146 1 . CYS 38 38 19146 1 . LYS 39 39 19146 1 . CYS 40 40 19146 1 . ARG 41 41 19146 1 . GLY 42 42 19146 1 . SER 43 43 19146 1 . ILE 44 44 19146 1 . LYS 45 45 19146 1 . TYR 46 46 19146 1 . MET 47 47 19146 1 . HIS 48 48 19146 1 . GLU 49 49 19146 1 . SER 50 50 19146 1 . CYS 51 51 19146 1 . LEU 52 52 19146 1 . LEU 53 53 19146 1 . GLU 54 54 19146 1 . TRP 55 55 19146 1 . VAL 56 56 19146 1 . ALA 57 57 19146 1 . SER 58 58 19146 1 . LYS 59 59 19146 1 . ASN 60 60 19146 1 . ILE 61 61 19146 1 . ASP 62 62 19146 1 . ILE 63 63 19146 1 . SER 64 64 19146 1 . LYS 65 65 19146 1 . PRO 66 66 19146 1 . GLY 67 67 19146 1 . ALA 68 68 19146 1 . ASP 69 69 19146 1 . VAL 70 70 19146 1 . LYS 71 71 19146 1 . CYS 72 72 19146 1 . ASP 73 73 19146 1 . ILE 74 74 19146 1 . CYS 75 75 19146 1 . HIS 76 76 19146 1 . TYR 77 77 19146 1 . PRO 78 78 19146 1 . ILE 79 79 19146 1 . GLN 80 80 19146 1 . PHE 81 81 19146 1 . LYS 82 82 19146 1 . THR 83 83 19146 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19146 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 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 19146 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 19146 2 ZN 'Three letter code' 19146 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 19146 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19146 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19146 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19146 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19146 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) RIL' . . . . . . . . . . . . . . . pET . . . . . . 19146 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 19146 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19146 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19146 ZN [Zn++] SMILES CACTVS 3.341 19146 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19146 ZN [Zn+2] SMILES ACDLabs 10.04 19146 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19146 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19146 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 19146 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19146 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19146 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19146 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 19146 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19146 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19146 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 19146 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 19146 1 pH 6.5 . pH 19146 1 pressure 1 . atm 19146 1 temperature 298 . K 19146 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19146 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19146 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19146 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19146 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19146 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19146 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19146 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19146 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19146 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 900 . . . 19146 1 2 spectrometer_2 Varian INOVA . 600 . . . 19146 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19146 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19146 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19146 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19146 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19146 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19146 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19146 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19146 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19146 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19146 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19146 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19146 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19146 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19146 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCO' . . . 19146 1 5 '3D HNCACB' . . . 19146 1 6 '3D CBCA(CO)NH' . . . 19146 1 8 '3D HCCH-TOCSY' . . . 19146 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 4.129 0 . . . . . A 19 VAL HA . 19146 1 2 . 1 1 1 1 VAL HB H 1 1.952 0 . . . . . A 19 VAL HB . 19146 1 3 . 1 1 1 1 VAL HG11 H 1 0.855 0 . . . . . A 19 VAL HG11 . 19146 1 4 . 1 1 1 1 VAL HG12 H 1 0.855 0 . . . . . A 19 VAL HG12 . 19146 1 5 . 1 1 1 1 VAL HG13 H 1 0.855 0 . . . . . A 19 VAL HG13 . 19146 1 6 . 1 1 1 1 VAL HG21 H 1 0.855 0 . . . . . A 19 VAL HG21 . 19146 1 7 . 1 1 1 1 VAL HG22 H 1 0.855 0 . . . . . A 19 VAL HG22 . 19146 1 8 . 1 1 1 1 VAL HG23 H 1 0.855 0 . . . . . A 19 VAL HG23 . 19146 1 9 . 1 1 1 1 VAL C C 13 175.485 0 . . . . . A 19 VAL C . 19146 1 10 . 1 1 1 1 VAL CA C 13 61.903 0 . . . . . A 19 VAL CA . 19146 1 11 . 1 1 1 1 VAL CB C 13 32.903 0 . . . . . A 19 VAL CB . 19146 1 12 . 1 1 1 1 VAL CG1 C 13 20.598 0 . . . . . A 19 VAL CG1 . 19146 1 13 . 1 1 1 1 VAL CG2 C 13 20.598 0 . . . . . A 19 VAL CG2 . 19146 1 14 . 1 1 2 2 ALA H H 1 8.39 0 . . . . . A 20 ALA H . 19146 1 15 . 1 1 2 2 ALA HA H 1 4.316 0 . . . . . A 20 ALA HA . 19146 1 16 . 1 1 2 2 ALA HB1 H 1 1.348 0 . . . . . A 20 ALA HB1 . 19146 1 17 . 1 1 2 2 ALA HB2 H 1 1.348 0 . . . . . A 20 ALA HB2 . 19146 1 18 . 1 1 2 2 ALA HB3 H 1 1.348 0 . . . . . A 20 ALA HB3 . 19146 1 19 . 1 1 2 2 ALA C C 13 177.29 0 . . . . . A 20 ALA C . 19146 1 20 . 1 1 2 2 ALA CA C 13 52.15 0 . . . . . A 20 ALA CA . 19146 1 21 . 1 1 2 2 ALA CB C 13 19.264 0 . . . . . A 20 ALA CB . 19146 1 22 . 1 1 2 2 ALA N N 15 127.66 0 . . . . . A 20 ALA N . 19146 1 23 . 1 1 3 3 ASN H H 1 8.393 0 . . . . . A 21 ASN H . 19146 1 24 . 1 1 3 3 ASN HA H 1 4.611 0 . . . . . A 21 ASN HA . 19146 1 25 . 1 1 3 3 ASN HB2 H 1 2.704 0 . . . . . A 21 ASN HB2 . 19146 1 26 . 1 1 3 3 ASN HB3 H 1 2.704 0 . . . . . A 21 ASN HB3 . 19146 1 27 . 1 1 3 3 ASN HD21 H 1 7.592 0 . . . . . A 21 ASN HD21 . 19146 1 28 . 1 1 3 3 ASN HD22 H 1 6.95 0 . . . . . A 21 ASN HD22 . 19146 1 29 . 1 1 3 3 ASN C C 13 175.171 0 . . . . . A 21 ASN C . 19146 1 30 . 1 1 3 3 ASN CA C 13 53.209 0 . . . . . A 21 ASN CA . 19146 1 31 . 1 1 3 3 ASN CB C 13 38.804 0 . . . . . A 21 ASN CB . 19146 1 32 . 1 1 3 3 ASN N N 15 118.023 0 . . . . . A 21 ASN N . 19146 1 33 . 1 1 3 3 ASN ND2 N 15 113.019 0 . . . . . A 21 ASN ND2 . 19146 1 34 . 1 1 4 4 GLU H H 1 8.446 0 . . . . . A 22 GLU H . 19146 1 35 . 1 1 4 4 GLU HA H 1 4.254 0 . . . . . A 22 GLU HA . 19146 1 36 . 1 1 4 4 GLU HB2 H 1 2.066 0 . . . . . A 22 GLU HB2 . 19146 1 37 . 1 1 4 4 GLU HB3 H 1 1.867 0 . . . . . A 22 GLU HB3 . 19146 1 38 . 1 1 4 4 GLU HG2 H 1 2.18 0 . . . . . A 22 GLU HG2 . 19146 1 39 . 1 1 4 4 GLU HG3 H 1 2.18 0 . . . . . A 22 GLU HG3 . 19146 1 40 . 1 1 4 4 GLU C C 13 176.534 0 . . . . . A 22 GLU C . 19146 1 41 . 1 1 4 4 GLU CA C 13 56.771 0 . . . . . A 22 GLU CA . 19146 1 42 . 1 1 4 4 GLU CB C 13 30.126 0 . . . . . A 22 GLU CB . 19146 1 43 . 1 1 4 4 GLU CG C 13 36.151 0 . . . . . A 22 GLU CG . 19146 1 44 . 1 1 4 4 GLU N N 15 121.629 0 . . . . . A 22 GLU N . 19146 1 45 . 1 1 5 5 GLU H H 1 8.448 0 . . . . . A 23 GLU H . 19146 1 46 . 1 1 5 5 GLU HA H 1 4.36 0 . . . . . A 23 GLU HA . 19146 1 47 . 1 1 5 5 GLU HB2 H 1 1.932 0 . . . . . A 23 GLU HB2 . 19146 1 48 . 1 1 5 5 GLU HB3 H 1 2.071 0 . . . . . A 23 GLU HB3 . 19146 1 49 . 1 1 5 5 GLU HG2 H 1 2.268 0 . . . . . A 23 GLU HG2 . 19146 1 50 . 1 1 5 5 GLU HG3 H 1 2.215 0 . . . . . A 23 GLU HG3 . 19146 1 51 . 1 1 5 5 GLU C C 13 176.767 0 . . . . . A 23 GLU C . 19146 1 52 . 1 1 5 5 GLU CA C 13 56.591 0 . . . . . A 23 GLU CA . 19146 1 53 . 1 1 5 5 GLU CB C 13 30.158 0 . . . . . A 23 GLU CB . 19146 1 54 . 1 1 5 5 GLU CG C 13 36.183 0 . . . . . A 23 GLU CG . 19146 1 55 . 1 1 5 5 GLU N N 15 121.889 0 . . . . . A 23 GLU N . 19146 1 56 . 1 1 6 6 THR H H 1 8.142 0 . . . . . A 24 THR H . 19146 1 57 . 1 1 6 6 THR HA H 1 4.319 0 . . . . . A 24 THR HA . 19146 1 58 . 1 1 6 6 THR HB H 1 4.209 0 . . . . . A 24 THR HB . 19146 1 59 . 1 1 6 6 THR HG21 H 1 1.166 0 . . . . . A 24 THR HG21 . 19146 1 60 . 1 1 6 6 THR HG22 H 1 1.166 0 . . . . . A 24 THR HG22 . 19146 1 61 . 1 1 6 6 THR HG23 H 1 1.166 0 . . . . . A 24 THR HG23 . 19146 1 62 . 1 1 6 6 THR C C 13 174.398 0 . . . . . A 24 THR C . 19146 1 63 . 1 1 6 6 THR CA C 13 62.01 0 . . . . . A 24 THR CA . 19146 1 64 . 1 1 6 6 THR CB C 13 69.692 0 . . . . . A 24 THR CB . 19146 1 65 . 1 1 6 6 THR CG2 C 13 21.23 0 . . . . . A 24 THR CG2 . 19146 1 66 . 1 1 6 6 THR N N 15 114.661 0 . . . . . A 24 THR N . 19146 1 67 . 1 1 7 7 ASP H H 1 8.444 0 . . . . . A 25 ASP H . 19146 1 68 . 1 1 7 7 ASP HA H 1 4.674 0 . . . . . A 25 ASP HA . 19146 1 69 . 1 1 7 7 ASP HB2 H 1 2.647 0 . . . . . A 25 ASP HB2 . 19146 1 70 . 1 1 7 7 ASP HB3 H 1 2.73 0 . . . . . A 25 ASP HB3 . 19146 1 71 . 1 1 7 7 ASP C C 13 176.497 0 . . . . . A 25 ASP C . 19146 1 72 . 1 1 7 7 ASP CA C 13 54.449 0 . . . . . A 25 ASP CA . 19146 1 73 . 1 1 7 7 ASP CB C 13 41.153 0 . . . . . A 25 ASP CB . 19146 1 74 . 1 1 7 7 ASP N N 15 122.994 0 . . . . . A 25 ASP N . 19146 1 75 . 1 1 8 8 THR H H 1 8.09 0 . . . . . A 26 THR H . 19146 1 76 . 1 1 8 8 THR HA H 1 4.231 0 . . . . . A 26 THR HA . 19146 1 77 . 1 1 8 8 THR HB H 1 4.241 0 . . . . . A 26 THR HB . 19146 1 78 . 1 1 8 8 THR HG21 H 1 1.192 0 . . . . . A 26 THR HG21 . 19146 1 79 . 1 1 8 8 THR HG22 H 1 1.192 0 . . . . . A 26 THR HG22 . 19146 1 80 . 1 1 8 8 THR HG23 H 1 1.192 0 . . . . . A 26 THR HG23 . 19146 1 81 . 1 1 8 8 THR C C 13 174.566 0 . . . . . A 26 THR C . 19146 1 82 . 1 1 8 8 THR CA C 13 62.002 0 . . . . . A 26 THR CA . 19146 1 83 . 1 1 8 8 THR CB C 13 69.434 0 . . . . . A 26 THR CB . 19146 1 84 . 1 1 8 8 THR CG2 C 13 21.648 0 . . . . . A 26 THR CG2 . 19146 1 85 . 1 1 8 8 THR N N 15 114.547 0 . . . . . A 26 THR N . 19146 1 86 . 1 1 9 9 ALA H H 1 8.277 0 . . . . . A 27 ALA H . 19146 1 87 . 1 1 9 9 ALA HA H 1 4.323 0 . . . . . A 27 ALA HA . 19146 1 88 . 1 1 9 9 ALA HB1 H 1 1.357 0 . . . . . A 27 ALA HB1 . 19146 1 89 . 1 1 9 9 ALA HB2 H 1 1.357 0 . . . . . A 27 ALA HB2 . 19146 1 90 . 1 1 9 9 ALA HB3 H 1 1.357 0 . . . . . A 27 ALA HB3 . 19146 1 91 . 1 1 9 9 ALA C C 13 177.797 0 . . . . . A 27 ALA C . 19146 1 92 . 1 1 9 9 ALA CA C 13 52.67 0 . . . . . A 27 ALA CA . 19146 1 93 . 1 1 9 9 ALA CB C 13 19.16 0 . . . . . A 27 ALA CB . 19146 1 94 . 1 1 9 9 ALA N N 15 126.213 0 . . . . . A 27 ALA N . 19146 1 95 . 1 1 10 10 THR H H 1 7.968 0 . . . . . A 28 THR H . 19146 1 96 . 1 1 10 10 THR HA H 1 4.252 0 . . . . . A 28 THR HA . 19146 1 97 . 1 1 10 10 THR HB H 1 4.127 0 . . . . . A 28 THR HB . 19146 1 98 . 1 1 10 10 THR HG21 H 1 1.095 0 . . . . . A 28 THR HG21 . 19146 1 99 . 1 1 10 10 THR HG22 H 1 1.095 0 . . . . . A 28 THR HG22 . 19146 1 100 . 1 1 10 10 THR HG23 H 1 1.095 0 . . . . . A 28 THR HG23 . 19146 1 101 . 1 1 10 10 THR C C 13 174.285 0 . . . . . A 28 THR C . 19146 1 102 . 1 1 10 10 THR CA C 13 61.637 0 . . . . . A 28 THR CA . 19146 1 103 . 1 1 10 10 THR CB C 13 69.801 0 . . . . . A 28 THR CB . 19146 1 104 . 1 1 10 10 THR CG2 C 13 21.593 0 . . . . . A 28 THR CG2 . 19146 1 105 . 1 1 10 10 THR N N 15 112.647 0 . . . . . A 28 THR N . 19146 1 106 . 1 1 11 11 PHE H H 1 8.17 0 . . . . . A 29 PHE H . 19146 1 107 . 1 1 11 11 PHE HA H 1 4.596 0 . . . . . A 29 PHE HA . 19146 1 108 . 1 1 11 11 PHE HB2 H 1 3.118 0 . . . . . A 29 PHE HB2 . 19146 1 109 . 1 1 11 11 PHE HB3 H 1 3.009 0 . . . . . A 29 PHE HB3 . 19146 1 110 . 1 1 11 11 PHE C C 13 175.273 0 . . . . . A 29 PHE C . 19146 1 111 . 1 1 11 11 PHE CA C 13 57.719 0 . . . . . A 29 PHE CA . 19146 1 112 . 1 1 11 11 PHE CB C 13 39.506 0 . . . . . A 29 PHE CB . 19146 1 113 . 1 1 11 11 PHE N N 15 121.941 0 . . . . . A 29 PHE N . 19146 1 114 . 1 1 12 12 ASN H H 1 8.293 0 . . . . . A 30 ASN H . 19146 1 115 . 1 1 12 12 ASN HA H 1 4.648 0 . . . . . A 30 ASN HA . 19146 1 116 . 1 1 12 12 ASN HB2 H 1 2.763 0 . . . . . A 30 ASN HB2 . 19146 1 117 . 1 1 12 12 ASN HB3 H 1 2.681 0 . . . . . A 30 ASN HB3 . 19146 1 118 . 1 1 12 12 ASN HD21 H 1 7.581 0 . . . . . A 30 ASN HD21 . 19146 1 119 . 1 1 12 12 ASN HD22 H 1 6.879 0 . . . . . A 30 ASN HD22 . 19146 1 120 . 1 1 12 12 ASN C C 13 174.482 0 . . . . . A 30 ASN C . 19146 1 121 . 1 1 12 12 ASN CA C 13 53.332 0 . . . . . A 30 ASN CA . 19146 1 122 . 1 1 12 12 ASN CB C 13 39.053 0 . . . . . A 30 ASN CB . 19146 1 123 . 1 1 12 12 ASN N N 15 120.233 0 . . . . . A 30 ASN N . 19146 1 124 . 1 1 12 12 ASN ND2 N 15 112.89 0 . . . . . A 30 ASN ND2 . 19146 1 125 . 1 1 13 13 ASP H H 1 8.321 0 . . . . . A 31 ASP H . 19146 1 126 . 1 1 13 13 ASP HA H 1 4.623 0 . . . . . A 31 ASP HA . 19146 1 127 . 1 1 13 13 ASP HB2 H 1 2.664 0 . . . . . A 31 ASP HB2 . 19146 1 128 . 1 1 13 13 ASP HB3 H 1 2.573 0 . . . . . A 31 ASP HB3 . 19146 1 129 . 1 1 13 13 ASP C C 13 175.789 0 . . . . . A 31 ASP C . 19146 1 130 . 1 1 13 13 ASP CA C 13 54.089 0 . . . . . A 31 ASP CA . 19146 1 131 . 1 1 13 13 ASP CB C 13 41.187 0 . . . . . A 31 ASP CB . 19146 1 132 . 1 1 13 13 ASP N N 15 121.229 0 . . . . . A 31 ASP N . 19146 1 133 . 1 1 14 14 ASP H H 1 8.172 0 . . . . . A 32 ASP H . 19146 1 134 . 1 1 14 14 ASP HA H 1 4.571 0 . . . . . A 32 ASP HA . 19146 1 135 . 1 1 14 14 ASP HB2 H 1 2.609 0 . . . . . A 32 ASP HB2 . 19146 1 136 . 1 1 14 14 ASP HB3 H 1 2.553 0 . . . . . A 32 ASP HB3 . 19146 1 137 . 1 1 14 14 ASP C C 13 175.9 0 . . . . . A 32 ASP C . 19146 1 138 . 1 1 14 14 ASP CA C 13 54.099 0 . . . . . A 32 ASP CA . 19146 1 139 . 1 1 14 14 ASP CB C 13 41.22 0 . . . . . A 32 ASP CB . 19146 1 140 . 1 1 14 14 ASP N N 15 120.919 0 . . . . . A 32 ASP N . 19146 1 141 . 1 1 15 15 ALA H H 1 8.305 0 . . . . . A 33 ALA H . 19146 1 142 . 1 1 15 15 ALA HA H 1 4.312 0 . . . . . A 33 ALA HA . 19146 1 143 . 1 1 15 15 ALA HB1 H 1 0.835 0 . . . . . A 33 ALA HB1 . 19146 1 144 . 1 1 15 15 ALA HB2 H 1 0.835 0 . . . . . A 33 ALA HB2 . 19146 1 145 . 1 1 15 15 ALA HB3 H 1 0.835 0 . . . . . A 33 ALA HB3 . 19146 1 146 . 1 1 15 15 ALA C C 13 175.273 0 . . . . . A 33 ALA C . 19146 1 147 . 1 1 15 15 ALA CA C 13 50.244 0 . . . . . A 33 ALA CA . 19146 1 148 . 1 1 15 15 ALA CB C 13 17.832 0 . . . . . A 33 ALA CB . 19146 1 149 . 1 1 15 15 ALA N N 15 125.636 0 . . . . . A 33 ALA N . 19146 1 150 . 1 1 16 16 PRO HA H 1 4.401 0 . . . . . A 34 PRO HA . 19146 1 151 . 1 1 16 16 PRO HB2 H 1 2.208 0 . . . . . A 34 PRO HB2 . 19146 1 152 . 1 1 16 16 PRO HB3 H 1 1.888 0 . . . . . A 34 PRO HB3 . 19146 1 153 . 1 1 16 16 PRO HG2 H 1 1.866 0 . . . . . A 34 PRO HG2 . 19146 1 154 . 1 1 16 16 PRO HG3 H 1 1.985 0 . . . . . A 34 PRO HG3 . 19146 1 155 . 1 1 16 16 PRO HD2 H 1 3.33 0 . . . . . A 34 PRO HD2 . 19146 1 156 . 1 1 16 16 PRO HD3 H 1 3.779 0 . . . . . A 34 PRO HD3 . 19146 1 157 . 1 1 16 16 PRO C C 13 177.252 0 . . . . . A 34 PRO C . 19146 1 158 . 1 1 16 16 PRO CA C 13 62.26 0 . . . . . A 34 PRO CA . 19146 1 159 . 1 1 16 16 PRO CB C 13 32.131 0 . . . . . A 34 PRO CB . 19146 1 160 . 1 1 16 16 PRO CG C 13 27.046 0 . . . . . A 34 PRO CG . 19146 1 161 . 1 1 16 16 PRO CD C 13 50.232 0 . . . . . A 34 PRO CD . 19146 1 162 . 1 1 17 17 SER H H 1 8.452 0 . . . . . A 35 SER H . 19146 1 163 . 1 1 17 17 SER HA H 1 4.182 0 . . . . . A 35 SER HA . 19146 1 164 . 1 1 17 17 SER HB2 H 1 4.179 0 . . . . . A 35 SER HB2 . 19146 1 165 . 1 1 17 17 SER HB3 H 1 3.814 0 . . . . . A 35 SER HB3 . 19146 1 166 . 1 1 17 17 SER C C 13 175.934 0 . . . . . A 35 SER C . 19146 1 167 . 1 1 17 17 SER CA C 13 59.585 0 . . . . . A 35 SER CA . 19146 1 168 . 1 1 17 17 SER CB C 13 62.799 0 . . . . . A 35 SER CB . 19146 1 169 . 1 1 17 17 SER N N 15 116.284 0 . . . . . A 35 SER N . 19146 1 170 . 1 1 18 18 GLY H H 1 8.801 0 . . . . . A 36 GLY H . 19146 1 171 . 1 1 18 18 GLY HA2 H 1 4.017 0 . . . . . A 36 GLY HA2 . 19146 1 172 . 1 1 18 18 GLY HA3 H 1 3.719 0 . . . . . A 36 GLY HA3 . 19146 1 173 . 1 1 18 18 GLY C C 13 173.991 0 . . . . . A 36 GLY C . 19146 1 174 . 1 1 18 18 GLY CA C 13 44.949 0 . . . . . A 36 GLY CA . 19146 1 175 . 1 1 18 18 GLY N N 15 113.257 0 . . . . . A 36 GLY N . 19146 1 176 . 1 1 19 19 ALA H H 1 7.47 0 . . . . . A 37 ALA H . 19146 1 177 . 1 1 19 19 ALA HA H 1 4.159 0 . . . . . A 37 ALA HA . 19146 1 178 . 1 1 19 19 ALA HB1 H 1 0.857 0 . . . . . A 37 ALA HB1 . 19146 1 179 . 1 1 19 19 ALA HB2 H 1 0.857 0 . . . . . A 37 ALA HB2 . 19146 1 180 . 1 1 19 19 ALA HB3 H 1 0.857 0 . . . . . A 37 ALA HB3 . 19146 1 181 . 1 1 19 19 ALA C C 13 176.558 0 . . . . . A 37 ALA C . 19146 1 182 . 1 1 19 19 ALA CA C 13 52.459 0 . . . . . A 37 ALA CA . 19146 1 183 . 1 1 19 19 ALA CB C 13 19.578 0 . . . . . A 37 ALA CB . 19146 1 184 . 1 1 19 19 ALA N N 15 122.946 0 . . . . . A 37 ALA N . 19146 1 185 . 1 1 20 20 THR H H 1 8.12 0 . . . . . A 38 THR H . 19146 1 186 . 1 1 20 20 THR HA H 1 4.553 0 . . . . . A 38 THR HA . 19146 1 187 . 1 1 20 20 THR HB H 1 3.544 0 . . . . . A 38 THR HB . 19146 1 188 . 1 1 20 20 THR HG21 H 1 0.922 0 . . . . . A 38 THR HG21 . 19146 1 189 . 1 1 20 20 THR HG22 H 1 0.922 0 . . . . . A 38 THR HG22 . 19146 1 190 . 1 1 20 20 THR HG23 H 1 0.922 0 . . . . . A 38 THR HG23 . 19146 1 191 . 1 1 20 20 THR C C 13 172.739 0 . . . . . A 38 THR C . 19146 1 192 . 1 1 20 20 THR CA C 13 58.579 0 . . . . . A 38 THR CA . 19146 1 193 . 1 1 20 20 THR CB C 13 73.418 0 . . . . . A 38 THR CB . 19146 1 194 . 1 1 20 20 THR CG2 C 13 22.402 0 . . . . . A 38 THR CG2 . 19146 1 195 . 1 1 20 20 THR N N 15 108.158 0 . . . . . A 38 THR N . 19146 1 196 . 1 1 21 21 CYS H H 1 8.402 0 . . . . . A 39 CYS H . 19146 1 197 . 1 1 21 21 CYS HA H 1 3.854 0 . . . . . A 39 CYS HA . 19146 1 198 . 1 1 21 21 CYS HB2 H 1 3.159 0 . . . . . A 39 CYS HB2 . 19146 1 199 . 1 1 21 21 CYS HB3 H 1 1.795 0 . . . . . A 39 CYS HB3 . 19146 1 200 . 1 1 21 21 CYS C C 13 177.83 0 . . . . . A 39 CYS C . 19146 1 201 . 1 1 21 21 CYS CA C 13 57.7 0 . . . . . A 39 CYS CA . 19146 1 202 . 1 1 21 21 CYS CB C 13 31.651 0 . . . . . A 39 CYS CB . 19146 1 203 . 1 1 21 21 CYS N N 15 121.92 0 . . . . . A 39 CYS N . 19146 1 204 . 1 1 22 22 ARG H H 1 9.295 0 . . . . . A 40 ARG H . 19146 1 205 . 1 1 22 22 ARG HA H 1 4.279 0 . . . . . A 40 ARG HA . 19146 1 206 . 1 1 22 22 ARG HB2 H 1 2.143 0 . . . . . A 40 ARG HB2 . 19146 1 207 . 1 1 22 22 ARG HB3 H 1 1.825 0 . . . . . A 40 ARG HB3 . 19146 1 208 . 1 1 22 22 ARG HG2 H 1 1.365 0 . . . . . A 40 ARG HG2 . 19146 1 209 . 1 1 22 22 ARG HG3 H 1 1.664 0 . . . . . A 40 ARG HG3 . 19146 1 210 . 1 1 22 22 ARG HD2 H 1 3.065 0 . . . . . A 40 ARG HD2 . 19146 1 211 . 1 1 22 22 ARG HD3 H 1 2.888 0 . . . . . A 40 ARG HD3 . 19146 1 212 . 1 1 22 22 ARG C C 13 175.168 0 . . . . . A 40 ARG C . 19146 1 213 . 1 1 22 22 ARG CA C 13 57.889 0 . . . . . A 40 ARG CA . 19146 1 214 . 1 1 22 22 ARG CB C 13 30.305 0 . . . . . A 40 ARG CB . 19146 1 215 . 1 1 22 22 ARG CG C 13 25.811 0 . . . . . A 40 ARG CG . 19146 1 216 . 1 1 22 22 ARG CD C 13 44.433 0 . . . . . A 40 ARG CD . 19146 1 217 . 1 1 22 22 ARG N N 15 128.436 0 . . . . . A 40 ARG N . 19146 1 218 . 1 1 23 23 ILE H H 1 8.815 0 . . . . . A 41 ILE H . 19146 1 219 . 1 1 23 23 ILE HA H 1 4.136 0 . . . . . A 41 ILE HA . 19146 1 220 . 1 1 23 23 ILE HB H 1 1.975 0 . . . . . A 41 ILE HB . 19146 1 221 . 1 1 23 23 ILE HG12 H 1 1.132 0 . . . . . A 41 ILE HG12 . 19146 1 222 . 1 1 23 23 ILE HG13 H 1 1.441 0 . . . . . A 41 ILE HG13 . 19146 1 223 . 1 1 23 23 ILE HG21 H 1 1.043 0 . . . . . A 41 ILE HG21 . 19146 1 224 . 1 1 23 23 ILE HG22 H 1 1.043 0 . . . . . A 41 ILE HG22 . 19146 1 225 . 1 1 23 23 ILE HG23 H 1 1.043 0 . . . . . A 41 ILE HG23 . 19146 1 226 . 1 1 23 23 ILE HD11 H 1 0.707 0 . . . . . A 41 ILE HD11 . 19146 1 227 . 1 1 23 23 ILE HD12 H 1 0.707 0 . . . . . A 41 ILE HD12 . 19146 1 228 . 1 1 23 23 ILE HD13 H 1 0.707 0 . . . . . A 41 ILE HD13 . 19146 1 229 . 1 1 23 23 ILE C C 13 176.481 0 . . . . . A 41 ILE C . 19146 1 230 . 1 1 23 23 ILE CA C 13 63.06 0 . . . . . A 41 ILE CA . 19146 1 231 . 1 1 23 23 ILE CB C 13 38.254 0 . . . . . A 41 ILE CB . 19146 1 232 . 1 1 23 23 ILE CG1 C 13 28.512 0 . . . . . A 41 ILE CG1 . 19146 1 233 . 1 1 23 23 ILE CG2 C 13 16.576 0 . . . . . A 41 ILE CG2 . 19146 1 234 . 1 1 23 23 ILE CD1 C 13 11.975 0 . . . . . A 41 ILE CD1 . 19146 1 235 . 1 1 23 23 ILE N N 15 122.242 0 . . . . . A 41 ILE N . 19146 1 236 . 1 1 24 24 CYS H H 1 8.106 0 . . . . . A 42 CYS H . 19146 1 237 . 1 1 24 24 CYS HA H 1 4.935 0 . . . . . A 42 CYS HA . 19146 1 238 . 1 1 24 24 CYS HB2 H 1 3.351 0 . . . . . A 42 CYS HB2 . 19146 1 239 . 1 1 24 24 CYS HB3 H 1 3.006 0 . . . . . A 42 CYS HB3 . 19146 1 240 . 1 1 24 24 CYS C C 13 176.274 0 . . . . . A 42 CYS C . 19146 1 241 . 1 1 24 24 CYS CA C 13 58.852 0 . . . . . A 42 CYS CA . 19146 1 242 . 1 1 24 24 CYS CB C 13 31.66 0 . . . . . A 42 CYS CB . 19146 1 243 . 1 1 24 24 CYS N N 15 117.531 0 . . . . . A 42 CYS N . 19146 1 244 . 1 1 25 25 ARG H H 1 8.136 0 . . . . . A 43 ARG H . 19146 1 245 . 1 1 25 25 ARG HA H 1 4.221 0 . . . . . A 43 ARG HA . 19146 1 246 . 1 1 25 25 ARG HB2 H 1 2.197 0 . . . . . A 43 ARG HB2 . 19146 1 247 . 1 1 25 25 ARG HB3 H 1 2.107 0 . . . . . A 43 ARG HB3 . 19146 1 248 . 1 1 25 25 ARG HG2 H 1 1.491 0 . . . . . A 43 ARG HG2 . 19146 1 249 . 1 1 25 25 ARG HG3 H 1 1.627 0 . . . . . A 43 ARG HG3 . 19146 1 250 . 1 1 25 25 ARG HD2 H 1 3.196 0 . . . . . A 43 ARG HD2 . 19146 1 251 . 1 1 25 25 ARG HD3 H 1 3.089 0 . . . . . A 43 ARG HD3 . 19146 1 252 . 1 1 25 25 ARG C C 13 174.812 0 . . . . . A 43 ARG C . 19146 1 253 . 1 1 25 25 ARG CA C 13 57.538 0 . . . . . A 43 ARG CA . 19146 1 254 . 1 1 25 25 ARG CB C 13 26.652 0 . . . . . A 43 ARG CB . 19146 1 255 . 1 1 25 25 ARG CG C 13 27.156 0 . . . . . A 43 ARG CG . 19146 1 256 . 1 1 25 25 ARG CD C 13 42.932 0 . . . . . A 43 ARG CD . 19146 1 257 . 1 1 25 25 ARG N N 15 117.857 0 . . . . . A 43 ARG N . 19146 1 258 . 1 1 26 26 GLY H H 1 9.141 0 . . . . . A 44 GLY H . 19146 1 259 . 1 1 26 26 GLY HA2 H 1 4.503 0 . . . . . A 44 GLY HA2 . 19146 1 260 . 1 1 26 26 GLY HA3 H 1 3.934 0 . . . . . A 44 GLY HA3 . 19146 1 261 . 1 1 26 26 GLY C C 13 173.989 0 . . . . . A 44 GLY C . 19146 1 262 . 1 1 26 26 GLY CA C 13 43.553 0 . . . . . A 44 GLY CA . 19146 1 263 . 1 1 26 26 GLY N N 15 109.745 0 . . . . . A 44 GLY N . 19146 1 264 . 1 1 27 27 GLU H H 1 8.59 0 . . . . . A 45 GLU H . 19146 1 265 . 1 1 27 27 GLU HA H 1 4.589 0 . . . . . A 45 GLU HA . 19146 1 266 . 1 1 27 27 GLU HB2 H 1 2.322 0 . . . . . A 45 GLU HB2 . 19146 1 267 . 1 1 27 27 GLU HB3 H 1 1.938 0 . . . . . A 45 GLU HB3 . 19146 1 268 . 1 1 27 27 GLU HG2 H 1 2.221 0 . . . . . A 45 GLU HG2 . 19146 1 269 . 1 1 27 27 GLU HG3 H 1 2.327 0 . . . . . A 45 GLU HG3 . 19146 1 270 . 1 1 27 27 GLU C C 13 178.579 0 . . . . . A 45 GLU C . 19146 1 271 . 1 1 27 27 GLU CA C 13 55.749 0 . . . . . A 45 GLU CA . 19146 1 272 . 1 1 27 27 GLU CB C 13 31.996 0 . . . . . A 45 GLU CB . 19146 1 273 . 1 1 27 27 GLU CG C 13 37.03 0 . . . . . A 45 GLU CG . 19146 1 274 . 1 1 27 27 GLU N N 15 118.809 0 . . . . . A 45 GLU N . 19146 1 275 . 1 1 28 28 ALA H H 1 9.026 0 . . . . . A 46 ALA H . 19146 1 276 . 1 1 28 28 ALA HA H 1 4.531 0 . . . . . A 46 ALA HA . 19146 1 277 . 1 1 28 28 ALA HB1 H 1 1.343 0 . . . . . A 46 ALA HB1 . 19146 1 278 . 1 1 28 28 ALA HB2 H 1 1.343 0 . . . . . A 46 ALA HB2 . 19146 1 279 . 1 1 28 28 ALA HB3 H 1 1.343 0 . . . . . A 46 ALA HB3 . 19146 1 280 . 1 1 28 28 ALA C C 13 177.412 0 . . . . . A 46 ALA C . 19146 1 281 . 1 1 28 28 ALA CA C 13 53.084 0 . . . . . A 46 ALA CA . 19146 1 282 . 1 1 28 28 ALA CB C 13 20.001 0 . . . . . A 46 ALA CB . 19146 1 283 . 1 1 28 28 ALA N N 15 124.112 0 . . . . . A 46 ALA N . 19146 1 284 . 1 1 29 29 THR H H 1 7.804 0 . . . . . A 47 THR H . 19146 1 285 . 1 1 29 29 THR HA H 1 4.68 0 . . . . . A 47 THR HA . 19146 1 286 . 1 1 29 29 THR HB H 1 4.529 0 . . . . . A 47 THR HB . 19146 1 287 . 1 1 29 29 THR HG21 H 1 1.174 0 . . . . . A 47 THR HG21 . 19146 1 288 . 1 1 29 29 THR HG22 H 1 1.174 0 . . . . . A 47 THR HG22 . 19146 1 289 . 1 1 29 29 THR HG23 H 1 1.174 0 . . . . . A 47 THR HG23 . 19146 1 290 . 1 1 29 29 THR C C 13 176.338 0 . . . . . A 47 THR C . 19146 1 291 . 1 1 29 29 THR CA C 13 59.81 0 . . . . . A 47 THR CA . 19146 1 292 . 1 1 29 29 THR CB C 13 71.694 0 . . . . . A 47 THR CB . 19146 1 293 . 1 1 29 29 THR CG2 C 13 22.046 0 . . . . . A 47 THR CG2 . 19146 1 294 . 1 1 29 29 THR N N 15 111.787 0 . . . . . A 47 THR N . 19146 1 295 . 1 1 30 30 GLU H H 1 9.009 0 . . . . . A 48 GLU H . 19146 1 296 . 1 1 30 30 GLU HA H 1 3.926 0 . . . . . A 48 GLU HA . 19146 1 297 . 1 1 30 30 GLU HB2 H 1 2.009 0 . . . . . A 48 GLU HB2 . 19146 1 298 . 1 1 30 30 GLU HB3 H 1 2.009 0 . . . . . A 48 GLU HB3 . 19146 1 299 . 1 1 30 30 GLU HG2 H 1 2.282 0 . . . . . A 48 GLU HG2 . 19146 1 300 . 1 1 30 30 GLU HG3 H 1 2.282 0 . . . . . A 48 GLU HG3 . 19146 1 301 . 1 1 30 30 GLU C C 13 177.281 0 . . . . . A 48 GLU C . 19146 1 302 . 1 1 30 30 GLU CA C 13 59.692 0 . . . . . A 48 GLU CA . 19146 1 303 . 1 1 30 30 GLU CB C 13 29.355 0 . . . . . A 48 GLU CB . 19146 1 304 . 1 1 30 30 GLU CG C 13 36.2 0 . . . . . A 48 GLU CG . 19146 1 305 . 1 1 30 30 GLU N N 15 121.604 0 . . . . . A 48 GLU N . 19146 1 306 . 1 1 31 31 ASP H H 1 8.075 0 . . . . . A 49 ASP H . 19146 1 307 . 1 1 31 31 ASP HA H 1 4.649 0 . . . . . A 49 ASP HA . 19146 1 308 . 1 1 31 31 ASP HB2 H 1 2.661 0 . . . . . A 49 ASP HB2 . 19146 1 309 . 1 1 31 31 ASP HB3 H 1 2.661 0 . . . . . A 49 ASP HB3 . 19146 1 310 . 1 1 31 31 ASP C C 13 174.999 0 . . . . . A 49 ASP C . 19146 1 311 . 1 1 31 31 ASP CA C 13 53.704 0 . . . . . A 49 ASP CA . 19146 1 312 . 1 1 31 31 ASP CB C 13 41.168 0 . . . . . A 49 ASP CB . 19146 1 313 . 1 1 31 31 ASP N N 15 113.64 0 . . . . . A 49 ASP N . 19146 1 314 . 1 1 32 32 ASN H H 1 7.641 0 . . . . . A 50 ASN H . 19146 1 315 . 1 1 32 32 ASN HA H 1 5.226 0 . . . . . A 50 ASN HA . 19146 1 316 . 1 1 32 32 ASN HB2 H 1 2.237 0 . . . . . A 50 ASN HB2 . 19146 1 317 . 1 1 32 32 ASN HB3 H 1 3.14 0 . . . . . A 50 ASN HB3 . 19146 1 318 . 1 1 32 32 ASN HD21 H 1 7.152 0 . . . . . A 50 ASN HD21 . 19146 1 319 . 1 1 32 32 ASN HD22 H 1 6.467 0 . . . . . A 50 ASN HD22 . 19146 1 320 . 1 1 32 32 ASN C C 13 171.07 0 . . . . . A 50 ASN C . 19146 1 321 . 1 1 32 32 ASN CA C 13 50.175 0 . . . . . A 50 ASN CA . 19146 1 322 . 1 1 32 32 ASN CB C 13 38.211 0 . . . . . A 50 ASN CB . 19146 1 323 . 1 1 32 32 ASN N N 15 119.28 0 . . . . . A 50 ASN N . 19146 1 324 . 1 1 32 32 ASN ND2 N 15 110.144 0 . . . . . A 50 ASN ND2 . 19146 1 325 . 1 1 33 33 PRO HA H 1 4.598 0 . . . . . A 51 PRO HA . 19146 1 326 . 1 1 33 33 PRO HB2 H 1 2.331 0 . . . . . A 51 PRO HB2 . 19146 1 327 . 1 1 33 33 PRO HB3 H 1 1.687 0 . . . . . A 51 PRO HB3 . 19146 1 328 . 1 1 33 33 PRO HG2 H 1 1.959 0 . . . . . A 51 PRO HG2 . 19146 1 329 . 1 1 33 33 PRO HG3 H 1 2.019 0 . . . . . A 51 PRO HG3 . 19146 1 330 . 1 1 33 33 PRO HD2 H 1 3.466 0 . . . . . A 51 PRO HD2 . 19146 1 331 . 1 1 33 33 PRO HD3 H 1 3.828 0 . . . . . A 51 PRO HD3 . 19146 1 332 . 1 1 33 33 PRO C C 13 176.849 0 . . . . . A 51 PRO C . 19146 1 333 . 1 1 33 33 PRO CA C 13 62.527 0 . . . . . A 51 PRO CA . 19146 1 334 . 1 1 33 33 PRO CB C 13 32.93 0 . . . . . A 51 PRO CB . 19146 1 335 . 1 1 33 33 PRO CG C 13 27.14 0 . . . . . A 51 PRO CG . 19146 1 336 . 1 1 33 33 PRO CD C 13 50.398 0 . . . . . A 51 PRO CD . 19146 1 337 . 1 1 34 34 LEU H H 1 8.229 0 . . . . . A 52 LEU H . 19146 1 338 . 1 1 34 34 LEU HA H 1 4.583 0 . . . . . A 52 LEU HA . 19146 1 339 . 1 1 34 34 LEU HB2 H 1 1.405 0 . . . . . A 52 LEU HB2 . 19146 1 340 . 1 1 34 34 LEU HB3 H 1 1.008 0 . . . . . A 52 LEU HB3 . 19146 1 341 . 1 1 34 34 LEU HG H 1 1.194 0 . . . . . A 52 LEU HG . 19146 1 342 . 1 1 34 34 LEU HD11 H 1 0.263 0 . . . . . A 52 LEU HD11 . 19146 1 343 . 1 1 34 34 LEU HD12 H 1 0.263 0 . . . . . A 52 LEU HD12 . 19146 1 344 . 1 1 34 34 LEU HD13 H 1 0.263 0 . . . . . A 52 LEU HD13 . 19146 1 345 . 1 1 34 34 LEU HD21 H 1 0.028 0 . . . . . A 52 LEU HD21 . 19146 1 346 . 1 1 34 34 LEU HD22 H 1 0.028 0 . . . . . A 52 LEU HD22 . 19146 1 347 . 1 1 34 34 LEU HD23 H 1 0.028 0 . . . . . A 52 LEU HD23 . 19146 1 348 . 1 1 34 34 LEU C C 13 176.268 0 . . . . . A 52 LEU C . 19146 1 349 . 1 1 34 34 LEU CA C 13 53.319 0 . . . . . A 52 LEU CA . 19146 1 350 . 1 1 34 34 LEU CB C 13 43.616 0 . . . . . A 52 LEU CB . 19146 1 351 . 1 1 34 34 LEU CG C 13 26.253 0 . . . . . A 52 LEU CG . 19146 1 352 . 1 1 34 34 LEU CD1 C 13 25.741 0 . . . . . A 52 LEU CD1 . 19146 1 353 . 1 1 34 34 LEU CD2 C 13 22.056 0 . . . . . A 52 LEU CD2 . 19146 1 354 . 1 1 34 34 LEU N N 15 116.653 0 . . . . . A 52 LEU N . 19146 1 355 . 1 1 35 35 PHE H H 1 8.923 0 . . . . . A 53 PHE H . 19146 1 356 . 1 1 35 35 PHE HA H 1 5.033 0 . . . . . A 53 PHE HA . 19146 1 357 . 1 1 35 35 PHE HB2 H 1 3.201 0 . . . . . A 53 PHE HB2 . 19146 1 358 . 1 1 35 35 PHE HB3 H 1 3.005 0 . . . . . A 53 PHE HB3 . 19146 1 359 . 1 1 35 35 PHE HD1 H 1 7.33 0 . . . . . A 53 PHE HD1 . 19146 1 360 . 1 1 35 35 PHE HD2 H 1 7.33 0 . . . . . A 53 PHE HD2 . 19146 1 361 . 1 1 35 35 PHE HE1 H 1 7.389 0 . . . . . A 53 PHE HE1 . 19146 1 362 . 1 1 35 35 PHE HE2 H 1 7.389 0 . . . . . A 53 PHE HE2 . 19146 1 363 . 1 1 35 35 PHE HZ H 1 7.336 0 . . . . . A 53 PHE HZ . 19146 1 364 . 1 1 35 35 PHE C C 13 174.355 0 . . . . . A 53 PHE C . 19146 1 365 . 1 1 35 35 PHE CA C 13 56.115 0 . . . . . A 53 PHE CA . 19146 1 366 . 1 1 35 35 PHE CB C 13 41.775 0 . . . . . A 53 PHE CB . 19146 1 367 . 1 1 35 35 PHE CD1 C 13 131.61 0 . . . . . A 53 PHE CD1 . 19146 1 368 . 1 1 35 35 PHE CD2 C 13 131.61 0 . . . . . A 53 PHE CD2 . 19146 1 369 . 1 1 35 35 PHE CE1 C 13 131.522 0 . . . . . A 53 PHE CE1 . 19146 1 370 . 1 1 35 35 PHE CE2 C 13 131.522 0 . . . . . A 53 PHE CE2 . 19146 1 371 . 1 1 35 35 PHE CZ C 13 129.8 0 . . . . . A 53 PHE CZ . 19146 1 372 . 1 1 35 35 PHE N N 15 120.436 0 . . . . . A 53 PHE N . 19146 1 373 . 1 1 36 36 HIS H H 1 9.032 0 . . . . . A 54 HIS H . 19146 1 374 . 1 1 36 36 HIS HA H 1 5.625 0 . . . . . A 54 HIS HA . 19146 1 375 . 1 1 36 36 HIS HB2 H 1 3.039 0 . . . . . A 54 HIS HB2 . 19146 1 376 . 1 1 36 36 HIS HB3 H 1 2.613 0 . . . . . A 54 HIS HB3 . 19146 1 377 . 1 1 36 36 HIS CA C 13 50.628 0 . . . . . A 54 HIS CA . 19146 1 378 . 1 1 36 36 HIS CB C 13 29.486 0 . . . . . A 54 HIS CB . 19146 1 379 . 1 1 36 36 HIS N N 15 117.573 0 . . . . . A 54 HIS N . 19146 1 380 . 1 1 37 37 PRO HA H 1 4.594 0 . . . . . A 55 PRO HA . 19146 1 381 . 1 1 37 37 PRO HB2 H 1 1.999 0 . . . . . A 55 PRO HB2 . 19146 1 382 . 1 1 37 37 PRO HB3 H 1 1.93 0 . . . . . A 55 PRO HB3 . 19146 1 383 . 1 1 37 37 PRO HG2 H 1 1.728 0 . . . . . A 55 PRO HG2 . 19146 1 384 . 1 1 37 37 PRO HG3 H 1 1.805 0 . . . . . A 55 PRO HG3 . 19146 1 385 . 1 1 37 37 PRO HD2 H 1 3.388 0 . . . . . A 55 PRO HD2 . 19146 1 386 . 1 1 37 37 PRO HD3 H 1 3.867 0 . . . . . A 55 PRO HD3 . 19146 1 387 . 1 1 37 37 PRO C C 13 174.796 0 . . . . . A 55 PRO C . 19146 1 388 . 1 1 37 37 PRO CA C 13 63.614 0 . . . . . A 55 PRO CA . 19146 1 389 . 1 1 37 37 PRO CB C 13 33.489 0 . . . . . A 55 PRO CB . 19146 1 390 . 1 1 37 37 PRO CG C 13 26.641 0 . . . . . A 55 PRO CG . 19146 1 391 . 1 1 37 37 PRO CD C 13 50.009 0 . . . . . A 55 PRO CD . 19146 1 392 . 1 1 38 38 CYS H H 1 8.001 0 . . . . . A 56 CYS H . 19146 1 393 . 1 1 38 38 CYS HA H 1 5.086 0 . . . . . A 56 CYS HA . 19146 1 394 . 1 1 38 38 CYS HB2 H 1 2.827 0 . . . . . A 56 CYS HB2 . 19146 1 395 . 1 1 38 38 CYS HB3 H 1 2.879 0 . . . . . A 56 CYS HB3 . 19146 1 396 . 1 1 38 38 CYS C C 13 173.692 0 . . . . . A 56 CYS C . 19146 1 397 . 1 1 38 38 CYS CA C 13 57.675 0 . . . . . A 56 CYS CA . 19146 1 398 . 1 1 38 38 CYS CB C 13 31.064 0 . . . . . A 56 CYS CB . 19146 1 399 . 1 1 38 38 CYS N N 15 119.946 0 . . . . . A 56 CYS N . 19146 1 400 . 1 1 39 39 LYS H H 1 8.129 0 . . . . . A 57 LYS H . 19146 1 401 . 1 1 39 39 LYS HA H 1 4.421 0 . . . . . A 57 LYS HA . 19146 1 402 . 1 1 39 39 LYS HB2 H 1 1.786 0 . . . . . A 57 LYS HB2 . 19146 1 403 . 1 1 39 39 LYS HB3 H 1 1.453 0 . . . . . A 57 LYS HB3 . 19146 1 404 . 1 1 39 39 LYS HG2 H 1 0.628 0 . . . . . A 57 LYS HG2 . 19146 1 405 . 1 1 39 39 LYS HG3 H 1 0.723 0 . . . . . A 57 LYS HG3 . 19146 1 406 . 1 1 39 39 LYS HD2 H 1 1.195 0 . . . . . A 57 LYS HD2 . 19146 1 407 . 1 1 39 39 LYS HD3 H 1 1.012 0 . . . . . A 57 LYS HD3 . 19146 1 408 . 1 1 39 39 LYS HE2 H 1 2.541 0 . . . . . A 57 LYS HE2 . 19146 1 409 . 1 1 39 39 LYS HE3 H 1 2.479 0 . . . . . A 57 LYS HE3 . 19146 1 410 . 1 1 39 39 LYS C C 13 177.379 0 . . . . . A 57 LYS C . 19146 1 411 . 1 1 39 39 LYS CA C 13 54.715 0 . . . . . A 57 LYS CA . 19146 1 412 . 1 1 39 39 LYS CB C 13 32.032 0 . . . . . A 57 LYS CB . 19146 1 413 . 1 1 39 39 LYS CG C 13 24.684 0 . . . . . A 57 LYS CG . 19146 1 414 . 1 1 39 39 LYS CD C 13 28.058 0 . . . . . A 57 LYS CD . 19146 1 415 . 1 1 39 39 LYS CE C 13 42.106 0 . . . . . A 57 LYS CE . 19146 1 416 . 1 1 39 39 LYS N N 15 120.022 0 . . . . . A 57 LYS N . 19146 1 417 . 1 1 40 40 CYS H H 1 8.527 0 . . . . . A 58 CYS H . 19146 1 418 . 1 1 40 40 CYS HA H 1 3.975 0 . . . . . A 58 CYS HA . 19146 1 419 . 1 1 40 40 CYS HB2 H 1 2.479 0 . . . . . A 58 CYS HB2 . 19146 1 420 . 1 1 40 40 CYS HB3 H 1 2.479 0 . . . . . A 58 CYS HB3 . 19146 1 421 . 1 1 40 40 CYS C C 13 174.748 0 . . . . . A 58 CYS C . 19146 1 422 . 1 1 40 40 CYS CA C 13 64.683 0 . . . . . A 58 CYS CA . 19146 1 423 . 1 1 40 40 CYS CB C 13 30.719 0 . . . . . A 58 CYS CB . 19146 1 424 . 1 1 40 40 CYS N N 15 125.382 0 . . . . . A 58 CYS N . 19146 1 425 . 1 1 41 41 ARG H H 1 8.18 0 . . . . . A 59 ARG H . 19146 1 426 . 1 1 41 41 ARG HA H 1 4.397 0 . . . . . A 59 ARG HA . 19146 1 427 . 1 1 41 41 ARG HB2 H 1 1.813 0 . . . . . A 59 ARG HB2 . 19146 1 428 . 1 1 41 41 ARG HB3 H 1 1.607 0 . . . . . A 59 ARG HB3 . 19146 1 429 . 1 1 41 41 ARG HG2 H 1 1.606 0 . . . . . A 59 ARG HG2 . 19146 1 430 . 1 1 41 41 ARG HG3 H 1 1.505 0 . . . . . A 59 ARG HG3 . 19146 1 431 . 1 1 41 41 ARG HD2 H 1 3.097 0 . . . . . A 59 ARG HD2 . 19146 1 432 . 1 1 41 41 ARG HD3 H 1 3.097 0 . . . . . A 59 ARG HD3 . 19146 1 433 . 1 1 41 41 ARG C C 13 176.564 0 . . . . . A 59 ARG C . 19146 1 434 . 1 1 41 41 ARG CA C 13 54.013 0 . . . . . A 59 ARG CA . 19146 1 435 . 1 1 41 41 ARG CB C 13 33.554 0 . . . . . A 59 ARG CB . 19146 1 436 . 1 1 41 41 ARG CG C 13 26.97 0 . . . . . A 59 ARG CG . 19146 1 437 . 1 1 41 41 ARG CD C 13 43.243 0 . . . . . A 59 ARG CD . 19146 1 438 . 1 1 41 41 ARG N N 15 118.835 0 . . . . . A 59 ARG N . 19146 1 439 . 1 1 42 42 GLY H H 1 8.617 0 . . . . . A 60 GLY H . 19146 1 440 . 1 1 42 42 GLY HA2 H 1 3.973 0 . . . . . A 60 GLY HA2 . 19146 1 441 . 1 1 42 42 GLY HA3 H 1 3.733 0 . . . . . A 60 GLY HA3 . 19146 1 442 . 1 1 42 42 GLY C C 13 176.734 0 . . . . . A 60 GLY C . 19146 1 443 . 1 1 42 42 GLY CA C 13 46.212 0 . . . . . A 60 GLY CA . 19146 1 444 . 1 1 42 42 GLY N N 15 108.153 0 . . . . . A 60 GLY N . 19146 1 445 . 1 1 43 43 SER HA H 1 4.324 0 . . . . . A 61 SER HA . 19146 1 446 . 1 1 43 43 SER HB2 H 1 3.958 0 . . . . . A 61 SER HB2 . 19146 1 447 . 1 1 43 43 SER HB3 H 1 4.05 0 . . . . . A 61 SER HB3 . 19146 1 448 . 1 1 43 43 SER C C 13 176.156 0 . . . . . A 61 SER C . 19146 1 449 . 1 1 43 43 SER CA C 13 60.664 0 . . . . . A 61 SER CA . 19146 1 450 . 1 1 43 43 SER CB C 13 62.866 0 . . . . . A 61 SER CB . 19146 1 451 . 1 1 44 44 ILE H H 1 7.27 0 . . . . . A 62 ILE H . 19146 1 452 . 1 1 44 44 ILE HA H 1 4.53 0 . . . . . A 62 ILE HA . 19146 1 453 . 1 1 44 44 ILE HB H 1 2.164 0 . . . . . A 62 ILE HB . 19146 1 454 . 1 1 44 44 ILE HG12 H 1 1.397 0 . . . . . A 62 ILE HG12 . 19146 1 455 . 1 1 44 44 ILE HG13 H 1 1.112 0 . . . . . A 62 ILE HG13 . 19146 1 456 . 1 1 44 44 ILE HG21 H 1 0.872 0 . . . . . A 62 ILE HG21 . 19146 1 457 . 1 1 44 44 ILE HG22 H 1 0.872 0 . . . . . A 62 ILE HG22 . 19146 1 458 . 1 1 44 44 ILE HG23 H 1 0.872 0 . . . . . A 62 ILE HG23 . 19146 1 459 . 1 1 44 44 ILE HD11 H 1 1.01 0 . . . . . A 62 ILE HD11 . 19146 1 460 . 1 1 44 44 ILE HD12 H 1 1.01 0 . . . . . A 62 ILE HD12 . 19146 1 461 . 1 1 44 44 ILE HD13 H 1 1.01 0 . . . . . A 62 ILE HD13 . 19146 1 462 . 1 1 44 44 ILE C C 13 173.973 0 . . . . . A 62 ILE C . 19146 1 463 . 1 1 44 44 ILE CA C 13 60.596 0 . . . . . A 62 ILE CA . 19146 1 464 . 1 1 44 44 ILE CB C 13 37.616 0 . . . . . A 62 ILE CB . 19146 1 465 . 1 1 44 44 ILE CG1 C 13 27.384 0 . . . . . A 62 ILE CG1 . 19146 1 466 . 1 1 44 44 ILE CG2 C 13 18.19 0 . . . . . A 62 ILE CG2 . 19146 1 467 . 1 1 44 44 ILE CD1 C 13 15.207 0 . . . . . A 62 ILE CD1 . 19146 1 468 . 1 1 44 44 ILE N N 15 114.512 0 . . . . . A 62 ILE N . 19146 1 469 . 1 1 45 45 LYS H H 1 6.897 0 . . . . . A 63 LYS H . 19146 1 470 . 1 1 45 45 LYS HA H 1 3.497 0 . . . . . A 63 LYS HA . 19146 1 471 . 1 1 45 45 LYS HB2 H 1 1.279 0 . . . . . A 63 LYS HB2 . 19146 1 472 . 1 1 45 45 LYS HB3 H 1 1.152 0 . . . . . A 63 LYS HB3 . 19146 1 473 . 1 1 45 45 LYS HG2 H 1 0.72 0 . . . . . A 63 LYS HG2 . 19146 1 474 . 1 1 45 45 LYS HG3 H 1 -0.078 0 . . . . . A 63 LYS HG3 . 19146 1 475 . 1 1 45 45 LYS HD2 H 1 1.267 0 . . . . . A 63 LYS HD2 . 19146 1 476 . 1 1 45 45 LYS HD3 H 1 1.267 0 . . . . . A 63 LYS HD3 . 19146 1 477 . 1 1 45 45 LYS HE2 H 1 2.395 0 . . . . . A 63 LYS HE2 . 19146 1 478 . 1 1 45 45 LYS HE3 H 1 2.292 0 . . . . . A 63 LYS HE3 . 19146 1 479 . 1 1 45 45 LYS C C 13 175.475 0 . . . . . A 63 LYS C . 19146 1 480 . 1 1 45 45 LYS CA C 13 57.972 0 . . . . . A 63 LYS CA . 19146 1 481 . 1 1 45 45 LYS CB C 13 34.642 0 . . . . . A 63 LYS CB . 19146 1 482 . 1 1 45 45 LYS CG C 13 24.363 0 . . . . . A 63 LYS CG . 19146 1 483 . 1 1 45 45 LYS CD C 13 30.133 0 . . . . . A 63 LYS CD . 19146 1 484 . 1 1 45 45 LYS CE C 13 41.944 0 . . . . . A 63 LYS CE . 19146 1 485 . 1 1 45 45 LYS N N 15 119.938 0 . . . . . A 63 LYS N . 19146 1 486 . 1 1 46 46 TYR H H 1 8.3 0 . . . . . A 64 TYR H . 19146 1 487 . 1 1 46 46 TYR HA H 1 5.445 0 . . . . . A 64 TYR HA . 19146 1 488 . 1 1 46 46 TYR HB2 H 1 2.754 0 . . . . . A 64 TYR HB2 . 19146 1 489 . 1 1 46 46 TYR HB3 H 1 2.754 0 . . . . . A 64 TYR HB3 . 19146 1 490 . 1 1 46 46 TYR HD1 H 1 6.95 0 . . . . . A 64 TYR HD1 . 19146 1 491 . 1 1 46 46 TYR HD2 H 1 6.95 0 . . . . . A 64 TYR HD2 . 19146 1 492 . 1 1 46 46 TYR HE1 H 1 6.757 0 . . . . . A 64 TYR HE1 . 19146 1 493 . 1 1 46 46 TYR HE2 H 1 6.757 0 . . . . . A 64 TYR HE2 . 19146 1 494 . 1 1 46 46 TYR C C 13 176.068 0 . . . . . A 64 TYR C . 19146 1 495 . 1 1 46 46 TYR CA C 13 57.164 0 . . . . . A 64 TYR CA . 19146 1 496 . 1 1 46 46 TYR CB C 13 42.188 0 . . . . . A 64 TYR CB . 19146 1 497 . 1 1 46 46 TYR CD1 C 13 133.757 0 . . . . . A 64 TYR CD1 . 19146 1 498 . 1 1 46 46 TYR CD2 C 13 133.757 0 . . . . . A 64 TYR CD2 . 19146 1 499 . 1 1 46 46 TYR CE1 C 13 117.907 0 . . . . . A 64 TYR CE1 . 19146 1 500 . 1 1 46 46 TYR CE2 C 13 117.907 0 . . . . . A 64 TYR CE2 . 19146 1 501 . 1 1 46 46 TYR N N 15 113.838 0 . . . . . A 64 TYR N . 19146 1 502 . 1 1 47 47 MET H H 1 9.058 0 . . . . . A 65 MET H . 19146 1 503 . 1 1 47 47 MET HA H 1 5.389 0 . . . . . A 65 MET HA . 19146 1 504 . 1 1 47 47 MET HB2 H 1 2.13 0 . . . . . A 65 MET HB2 . 19146 1 505 . 1 1 47 47 MET HB3 H 1 1.821 0 . . . . . A 65 MET HB3 . 19146 1 506 . 1 1 47 47 MET HG2 H 1 2.499 0 . . . . . A 65 MET HG2 . 19146 1 507 . 1 1 47 47 MET HG3 H 1 2.374 0 . . . . . A 65 MET HG3 . 19146 1 508 . 1 1 47 47 MET HE1 H 1 1.672 0 . . . . . A 65 MET HE1 . 19146 1 509 . 1 1 47 47 MET HE2 H 1 1.672 0 . . . . . A 65 MET HE2 . 19146 1 510 . 1 1 47 47 MET HE3 H 1 1.672 0 . . . . . A 65 MET HE3 . 19146 1 511 . 1 1 47 47 MET C C 13 175.847 0 . . . . . A 65 MET C . 19146 1 512 . 1 1 47 47 MET CA C 13 54.978 0 . . . . . A 65 MET CA . 19146 1 513 . 1 1 47 47 MET CB C 13 38.759 0 . . . . . A 65 MET CB . 19146 1 514 . 1 1 47 47 MET CG C 13 32.074 0 . . . . . A 65 MET CG . 19146 1 515 . 1 1 47 47 MET CE C 13 17.189 0 . . . . . A 65 MET CE . 19146 1 516 . 1 1 47 47 MET N N 15 115.571 0 . . . . . A 65 MET N . 19146 1 517 . 1 1 48 48 HIS H H 1 8.815 0 . . . . . A 66 HIS H . 19146 1 518 . 1 1 48 48 HIS HA H 1 5.197 0 . . . . . A 66 HIS HA . 19146 1 519 . 1 1 48 48 HIS HB2 H 1 3.745 0 . . . . . A 66 HIS HB2 . 19146 1 520 . 1 1 48 48 HIS HB3 H 1 3.605 0 . . . . . A 66 HIS HB3 . 19146 1 521 . 1 1 48 48 HIS HD2 H 1 7.168 0 . . . . . A 66 HIS HD2 . 19146 1 522 . 1 1 48 48 HIS HE1 H 1 7.163 0 . . . . . A 66 HIS HE1 . 19146 1 523 . 1 1 48 48 HIS HE2 H 1 10.981 0 . . . . . A 66 HIS HE2 . 19146 1 524 . 1 1 48 48 HIS CA C 13 57.26 0 . . . . . A 66 HIS CA . 19146 1 525 . 1 1 48 48 HIS CB C 13 32.631 0 . . . . . A 66 HIS CB . 19146 1 526 . 1 1 48 48 HIS CD2 C 13 120.405 0 . . . . . A 66 HIS CD2 . 19146 1 527 . 1 1 48 48 HIS CE1 C 13 138.009 0 . . . . . A 66 HIS CE1 . 19146 1 528 . 1 1 48 48 HIS N N 15 122.384 0 . . . . . A 66 HIS N . 19146 1 529 . 1 1 48 48 HIS NE2 N 15 166.295 0 . . . . . A 66 HIS NE2 . 19146 1 530 . 1 1 49 49 GLU H H 1 9.641 0 . . . . . A 67 GLU H . 19146 1 531 . 1 1 49 49 GLU HA H 1 3.835 0 . . . . . A 67 GLU HA . 19146 1 532 . 1 1 49 49 GLU HB2 H 1 2.2 0 . . . . . A 67 GLU HB2 . 19146 1 533 . 1 1 49 49 GLU HB3 H 1 1.977 0 . . . . . A 67 GLU HB3 . 19146 1 534 . 1 1 49 49 GLU HG2 H 1 2.146 0 . . . . . A 67 GLU HG2 . 19146 1 535 . 1 1 49 49 GLU HG3 H 1 2.039 0 . . . . . A 67 GLU HG3 . 19146 1 536 . 1 1 49 49 GLU C C 13 178.256 0 . . . . . A 67 GLU C . 19146 1 537 . 1 1 49 49 GLU CA C 13 60.618 0 . . . . . A 67 GLU CA . 19146 1 538 . 1 1 49 49 GLU CB C 13 29.7 0 . . . . . A 67 GLU CB . 19146 1 539 . 1 1 49 49 GLU CG C 13 35.9 0 . . . . . A 67 GLU CG . 19146 1 540 . 1 1 49 49 GLU N N 15 124.765 0 . . . . . A 67 GLU N . 19146 1 541 . 1 1 50 50 SER H H 1 8.955 0 . . . . . A 68 SER H . 19146 1 542 . 1 1 50 50 SER HA H 1 4.152 0 . . . . . A 68 SER HA . 19146 1 543 . 1 1 50 50 SER HB2 H 1 3.991 0 . . . . . A 68 SER HB2 . 19146 1 544 . 1 1 50 50 SER HB3 H 1 3.991 0 . . . . . A 68 SER HB3 . 19146 1 545 . 1 1 50 50 SER C C 13 178.002 0 . . . . . A 68 SER C . 19146 1 546 . 1 1 50 50 SER CA C 13 61.362 0 . . . . . A 68 SER CA . 19146 1 547 . 1 1 50 50 SER CB C 13 61.452 0 . . . . . A 68 SER CB . 19146 1 548 . 1 1 50 50 SER N N 15 113.37 0 . . . . . A 68 SER N . 19146 1 549 . 1 1 51 51 CYS H H 1 6.92 0 . . . . . A 69 CYS H . 19146 1 550 . 1 1 51 51 CYS HA H 1 4.16 0 . . . . . A 69 CYS HA . 19146 1 551 . 1 1 51 51 CYS HB2 H 1 2.904 0 . . . . . A 69 CYS HB2 . 19146 1 552 . 1 1 51 51 CYS HB3 H 1 3.071 0 . . . . . A 69 CYS HB3 . 19146 1 553 . 1 1 51 51 CYS C C 13 177.115 0 . . . . . A 69 CYS C . 19146 1 554 . 1 1 51 51 CYS CA C 13 63.019 0 . . . . . A 69 CYS CA . 19146 1 555 . 1 1 51 51 CYS CB C 13 29.086 0 . . . . . A 69 CYS CB . 19146 1 556 . 1 1 51 51 CYS N N 15 122.727 0 . . . . . A 69 CYS N . 19146 1 557 . 1 1 52 52 LEU H H 1 8.262 0 . . . . . A 70 LEU H . 19146 1 558 . 1 1 52 52 LEU HA H 1 4.347 0 . . . . . A 70 LEU HA . 19146 1 559 . 1 1 52 52 LEU HB2 H 1 2.294 0 . . . . . A 70 LEU HB2 . 19146 1 560 . 1 1 52 52 LEU HB3 H 1 1.762 0 . . . . . A 70 LEU HB3 . 19146 1 561 . 1 1 52 52 LEU HG H 1 1.783 0 . . . . . A 70 LEU HG . 19146 1 562 . 1 1 52 52 LEU HD11 H 1 0.934 0 . . . . . A 70 LEU HD11 . 19146 1 563 . 1 1 52 52 LEU HD12 H 1 0.934 0 . . . . . A 70 LEU HD12 . 19146 1 564 . 1 1 52 52 LEU HD13 H 1 0.934 0 . . . . . A 70 LEU HD13 . 19146 1 565 . 1 1 52 52 LEU HD21 H 1 1.06 0 . . . . . A 70 LEU HD21 . 19146 1 566 . 1 1 52 52 LEU HD22 H 1 1.06 0 . . . . . A 70 LEU HD22 . 19146 1 567 . 1 1 52 52 LEU HD23 H 1 1.06 0 . . . . . A 70 LEU HD23 . 19146 1 568 . 1 1 52 52 LEU C C 13 178.544 0 . . . . . A 70 LEU C . 19146 1 569 . 1 1 52 52 LEU CA C 13 58.577 0 . . . . . A 70 LEU CA . 19146 1 570 . 1 1 52 52 LEU CB C 13 41.451 0 . . . . . A 70 LEU CB . 19146 1 571 . 1 1 52 52 LEU CG C 13 27.744 0 . . . . . A 70 LEU CG . 19146 1 572 . 1 1 52 52 LEU CD1 C 13 25.961 0 . . . . . A 70 LEU CD1 . 19146 1 573 . 1 1 52 52 LEU CD2 C 13 23.949 0 . . . . . A 70 LEU CD2 . 19146 1 574 . 1 1 52 52 LEU N N 15 122.241 0 . . . . . A 70 LEU N . 19146 1 575 . 1 1 53 53 LEU H H 1 8.462 0 . . . . . A 71 LEU H . 19146 1 576 . 1 1 53 53 LEU HA H 1 4.122 0 . . . . . A 71 LEU HA . 19146 1 577 . 1 1 53 53 LEU HB2 H 1 2.008 0 . . . . . A 71 LEU HB2 . 19146 1 578 . 1 1 53 53 LEU HB3 H 1 1.549 0 . . . . . A 71 LEU HB3 . 19146 1 579 . 1 1 53 53 LEU HG H 1 1.964 0 . . . . . A 71 LEU HG . 19146 1 580 . 1 1 53 53 LEU HD11 H 1 0.947 0 . . . . . A 71 LEU HD11 . 19146 1 581 . 1 1 53 53 LEU HD12 H 1 0.947 0 . . . . . A 71 LEU HD12 . 19146 1 582 . 1 1 53 53 LEU HD13 H 1 0.947 0 . . . . . A 71 LEU HD13 . 19146 1 583 . 1 1 53 53 LEU HD21 H 1 0.892 0 . . . . . A 71 LEU HD21 . 19146 1 584 . 1 1 53 53 LEU HD22 H 1 0.892 0 . . . . . A 71 LEU HD22 . 19146 1 585 . 1 1 53 53 LEU HD23 H 1 0.892 0 . . . . . A 71 LEU HD23 . 19146 1 586 . 1 1 53 53 LEU C C 13 180.508 0 . . . . . A 71 LEU C . 19146 1 587 . 1 1 53 53 LEU CA C 13 58.22 0 . . . . . A 71 LEU CA . 19146 1 588 . 1 1 53 53 LEU CB C 13 40.824 0 . . . . . A 71 LEU CB . 19146 1 589 . 1 1 53 53 LEU CG C 13 27.112 0 . . . . . A 71 LEU CG . 19146 1 590 . 1 1 53 53 LEU CD1 C 13 25.376 0 . . . . . A 71 LEU CD1 . 19146 1 591 . 1 1 53 53 LEU CD2 C 13 22.376 0 . . . . . A 71 LEU CD2 . 19146 1 592 . 1 1 53 53 LEU N N 15 119.025 0 . . . . . A 71 LEU N . 19146 1 593 . 1 1 54 54 GLU H H 1 8.18 0 . . . . . A 72 GLU H . 19146 1 594 . 1 1 54 54 GLU HA H 1 4.173 0 . . . . . A 72 GLU HA . 19146 1 595 . 1 1 54 54 GLU HB2 H 1 2.265 0 . . . . . A 72 GLU HB2 . 19146 1 596 . 1 1 54 54 GLU HB3 H 1 2.199 0 . . . . . A 72 GLU HB3 . 19146 1 597 . 1 1 54 54 GLU HG2 H 1 2.475 0 . . . . . A 72 GLU HG2 . 19146 1 598 . 1 1 54 54 GLU HG3 H 1 2.319 0 . . . . . A 72 GLU HG3 . 19146 1 599 . 1 1 54 54 GLU C C 13 179.009 0 . . . . . A 72 GLU C . 19146 1 600 . 1 1 54 54 GLU CA C 13 59.167 0 . . . . . A 72 GLU CA . 19146 1 601 . 1 1 54 54 GLU CB C 13 29.528 0 . . . . . A 72 GLU CB . 19146 1 602 . 1 1 54 54 GLU CG C 13 36.264 0 . . . . . A 72 GLU CG . 19146 1 603 . 1 1 54 54 GLU N N 15 120.884 0 . . . . . A 72 GLU N . 19146 1 604 . 1 1 55 55 TRP H H 1 8.402 0 . . . . . A 73 TRP H . 19146 1 605 . 1 1 55 55 TRP HA H 1 4.375 0 . . . . . A 73 TRP HA . 19146 1 606 . 1 1 55 55 TRP HB2 H 1 3.842 0 . . . . . A 73 TRP HB2 . 19146 1 607 . 1 1 55 55 TRP HB3 H 1 3.361 0 . . . . . A 73 TRP HB3 . 19146 1 608 . 1 1 55 55 TRP HD1 H 1 7.34 0 . . . . . A 73 TRP HD1 . 19146 1 609 . 1 1 55 55 TRP HE1 H 1 10.319 0 . . . . . A 73 TRP HE1 . 19146 1 610 . 1 1 55 55 TRP HE3 H 1 7.713 0 . . . . . A 73 TRP HE3 . 19146 1 611 . 1 1 55 55 TRP HZ2 H 1 7.576 0 . . . . . A 73 TRP HZ2 . 19146 1 612 . 1 1 55 55 TRP HZ3 H 1 6.79 0 . . . . . A 73 TRP HZ3 . 19146 1 613 . 1 1 55 55 TRP HH2 H 1 7.201 0 . . . . . A 73 TRP HH2 . 19146 1 614 . 1 1 55 55 TRP C C 13 179.478 0 . . . . . A 73 TRP C . 19146 1 615 . 1 1 55 55 TRP CA C 13 61.361 0 . . . . . A 73 TRP CA . 19146 1 616 . 1 1 55 55 TRP CB C 13 27.913 0 . . . . . A 73 TRP CB . 19146 1 617 . 1 1 55 55 TRP CD1 C 13 127.165 0 . . . . . A 73 TRP CD1 . 19146 1 618 . 1 1 55 55 TRP CE3 C 13 120.806 0 . . . . . A 73 TRP CE3 . 19146 1 619 . 1 1 55 55 TRP CZ2 C 13 114.728 0 . . . . . A 73 TRP CZ2 . 19146 1 620 . 1 1 55 55 TRP CZ3 C 13 120.936 0 . . . . . A 73 TRP CZ3 . 19146 1 621 . 1 1 55 55 TRP CH2 C 13 124.267 0 . . . . . A 73 TRP CH2 . 19146 1 622 . 1 1 55 55 TRP N N 15 123.815 0 . . . . . A 73 TRP N . 19146 1 623 . 1 1 55 55 TRP NE1 N 15 130.321 0 . . . . . A 73 TRP NE1 . 19146 1 624 . 1 1 56 56 VAL H H 1 8.941 0 . . . . . A 74 VAL H . 19146 1 625 . 1 1 56 56 VAL HA H 1 3.06 0 . . . . . A 74 VAL HA . 19146 1 626 . 1 1 56 56 VAL HB H 1 2.24 0 . . . . . A 74 VAL HB . 19146 1 627 . 1 1 56 56 VAL HG11 H 1 1.208 0 . . . . . A 74 VAL HG11 . 19146 1 628 . 1 1 56 56 VAL HG12 H 1 1.208 0 . . . . . A 74 VAL HG12 . 19146 1 629 . 1 1 56 56 VAL HG13 H 1 1.208 0 . . . . . A 74 VAL HG13 . 19146 1 630 . 1 1 56 56 VAL HG21 H 1 0.897 0 . . . . . A 74 VAL HG21 . 19146 1 631 . 1 1 56 56 VAL HG22 H 1 0.897 0 . . . . . A 74 VAL HG22 . 19146 1 632 . 1 1 56 56 VAL HG23 H 1 0.897 0 . . . . . A 74 VAL HG23 . 19146 1 633 . 1 1 56 56 VAL C C 13 178.383 0 . . . . . A 74 VAL C . 19146 1 634 . 1 1 56 56 VAL CA C 13 66.676 0 . . . . . A 74 VAL CA . 19146 1 635 . 1 1 56 56 VAL CB C 13 31.652 0 . . . . . A 74 VAL CB . 19146 1 636 . 1 1 56 56 VAL CG1 C 13 23.281 0 . . . . . A 74 VAL CG1 . 19146 1 637 . 1 1 56 56 VAL CG2 C 13 22.49 0 . . . . . A 74 VAL CG2 . 19146 1 638 . 1 1 56 56 VAL N N 15 119.873 0 . . . . . A 74 VAL N . 19146 1 639 . 1 1 57 57 ALA H H 1 7.948 0 . . . . . A 75 ALA H . 19146 1 640 . 1 1 57 57 ALA HA H 1 4.236 0 . . . . . A 75 ALA HA . 19146 1 641 . 1 1 57 57 ALA HB1 H 1 1.538 0 . . . . . A 75 ALA HB1 . 19146 1 642 . 1 1 57 57 ALA HB2 H 1 1.538 0 . . . . . A 75 ALA HB2 . 19146 1 643 . 1 1 57 57 ALA HB3 H 1 1.538 0 . . . . . A 75 ALA HB3 . 19146 1 644 . 1 1 57 57 ALA C C 13 181.503 0 . . . . . A 75 ALA C . 19146 1 645 . 1 1 57 57 ALA CA C 13 54.882 0 . . . . . A 75 ALA CA . 19146 1 646 . 1 1 57 57 ALA CB C 13 17.722 0 . . . . . A 75 ALA CB . 19146 1 647 . 1 1 57 57 ALA N N 15 121.564 0 . . . . . A 75 ALA N . 19146 1 648 . 1 1 58 58 SER H H 1 8.033 0 . . . . . A 76 SER H . 19146 1 649 . 1 1 58 58 SER HA H 1 4.3 0 . . . . . A 76 SER HA . 19146 1 650 . 1 1 58 58 SER HB2 H 1 4.05 0 . . . . . A 76 SER HB2 . 19146 1 651 . 1 1 58 58 SER HB3 H 1 4.011 0 . . . . . A 76 SER HB3 . 19146 1 652 . 1 1 58 58 SER C C 13 174.997 0 . . . . . A 76 SER C . 19146 1 653 . 1 1 58 58 SER CA C 13 60.689 0 . . . . . A 76 SER CA . 19146 1 654 . 1 1 58 58 SER CB C 13 62.845 0 . . . . . A 76 SER CB . 19146 1 655 . 1 1 58 58 SER N N 15 115.689 0 . . . . . A 76 SER N . 19146 1 656 . 1 1 59 59 LYS H H 1 7.275 0 . . . . . A 77 LYS H . 19146 1 657 . 1 1 59 59 LYS HA H 1 4.196 0 . . . . . A 77 LYS HA . 19146 1 658 . 1 1 59 59 LYS HB2 H 1 1.511 0 . . . . . A 77 LYS HB2 . 19146 1 659 . 1 1 59 59 LYS HB3 H 1 1.78 0 . . . . . A 77 LYS HB3 . 19146 1 660 . 1 1 59 59 LYS HG2 H 1 0.94 0 . . . . . A 77 LYS HG2 . 19146 1 661 . 1 1 59 59 LYS HG3 H 1 0.799 0 . . . . . A 77 LYS HG3 . 19146 1 662 . 1 1 59 59 LYS HD2 H 1 1.154 0 . . . . . A 77 LYS HD2 . 19146 1 663 . 1 1 59 59 LYS HD3 H 1 1.154 0 . . . . . A 77 LYS HD3 . 19146 1 664 . 1 1 59 59 LYS HE2 H 1 2.671 0 . . . . . A 77 LYS HE2 . 19146 1 665 . 1 1 59 59 LYS HE3 H 1 2.365 0 . . . . . A 77 LYS HE3 . 19146 1 666 . 1 1 59 59 LYS C C 13 175.996 0 . . . . . A 77 LYS C . 19146 1 667 . 1 1 59 59 LYS CA C 13 55.087 0 . . . . . A 77 LYS CA . 19146 1 668 . 1 1 59 59 LYS CB C 13 31.598 0 . . . . . A 77 LYS CB . 19146 1 669 . 1 1 59 59 LYS CG C 13 23.45 0 . . . . . A 77 LYS CG . 19146 1 670 . 1 1 59 59 LYS CD C 13 28.023 0 . . . . . A 77 LYS CD . 19146 1 671 . 1 1 59 59 LYS CE C 13 41.475 0 . . . . . A 77 LYS CE . 19146 1 672 . 1 1 59 59 LYS N N 15 120.718 0 . . . . . A 77 LYS N . 19146 1 673 . 1 1 60 60 ASN H H 1 8.044 0 . . . . . A 78 ASN H . 19146 1 674 . 1 1 60 60 ASN HA H 1 4.347 0 . . . . . A 78 ASN HA . 19146 1 675 . 1 1 60 60 ASN HB2 H 1 2.751 0 . . . . . A 78 ASN HB2 . 19146 1 676 . 1 1 60 60 ASN HB3 H 1 3.011 0 . . . . . A 78 ASN HB3 . 19146 1 677 . 1 1 60 60 ASN HD21 H 1 7.466 0 . . . . . A 78 ASN HD21 . 19146 1 678 . 1 1 60 60 ASN HD22 H 1 6.775 0 . . . . . A 78 ASN HD22 . 19146 1 679 . 1 1 60 60 ASN C C 13 174.093 0 . . . . . A 78 ASN C . 19146 1 680 . 1 1 60 60 ASN CA C 13 54.062 0 . . . . . A 78 ASN CA . 19146 1 681 . 1 1 60 60 ASN CB C 13 37.094 0 . . . . . A 78 ASN CB . 19146 1 682 . 1 1 60 60 ASN N N 15 115.506 0 . . . . . A 78 ASN N . 19146 1 683 . 1 1 60 60 ASN ND2 N 15 112.26 0 . . . . . A 78 ASN ND2 . 19146 1 684 . 1 1 61 61 ILE H H 1 7.235 0 . . . . . A 79 ILE H . 19146 1 685 . 1 1 61 61 ILE HA H 1 4.032 0 . . . . . A 79 ILE HA . 19146 1 686 . 1 1 61 61 ILE HB H 1 1.537 0 . . . . . A 79 ILE HB . 19146 1 687 . 1 1 61 61 ILE HG12 H 1 1.304 0 . . . . . A 79 ILE HG12 . 19146 1 688 . 1 1 61 61 ILE HG13 H 1 0.959 0 . . . . . A 79 ILE HG13 . 19146 1 689 . 1 1 61 61 ILE HG21 H 1 0.663 0 . . . . . A 79 ILE HG21 . 19146 1 690 . 1 1 61 61 ILE HG22 H 1 0.663 0 . . . . . A 79 ILE HG22 . 19146 1 691 . 1 1 61 61 ILE HG23 H 1 0.663 0 . . . . . A 79 ILE HG23 . 19146 1 692 . 1 1 61 61 ILE HD11 H 1 0.739 0 . . . . . A 79 ILE HD11 . 19146 1 693 . 1 1 61 61 ILE HD12 H 1 0.739 0 . . . . . A 79 ILE HD12 . 19146 1 694 . 1 1 61 61 ILE HD13 H 1 0.739 0 . . . . . A 79 ILE HD13 . 19146 1 695 . 1 1 61 61 ILE C C 13 174.86 0 . . . . . A 79 ILE C . 19146 1 696 . 1 1 61 61 ILE CA C 13 60.386 0 . . . . . A 79 ILE CA . 19146 1 697 . 1 1 61 61 ILE CB C 13 39.354 0 . . . . . A 79 ILE CB . 19146 1 698 . 1 1 61 61 ILE CG1 C 13 27.146 0 . . . . . A 79 ILE CG1 . 19146 1 699 . 1 1 61 61 ILE CG2 C 13 17.263 0 . . . . . A 79 ILE CG2 . 19146 1 700 . 1 1 61 61 ILE CD1 C 13 13.367 0 . . . . . A 79 ILE CD1 . 19146 1 701 . 1 1 61 61 ILE N N 15 118.216 0 . . . . . A 79 ILE N . 19146 1 702 . 1 1 62 62 ASP H H 1 8.397 0 . . . . . A 80 ASP H . 19146 1 703 . 1 1 62 62 ASP HA H 1 4.661 0 . . . . . A 80 ASP HA . 19146 1 704 . 1 1 62 62 ASP HB2 H 1 2.815 0 . . . . . A 80 ASP HB2 . 19146 1 705 . 1 1 62 62 ASP HB3 H 1 2.538 0 . . . . . A 80 ASP HB3 . 19146 1 706 . 1 1 62 62 ASP C C 13 176.862 0 . . . . . A 80 ASP C . 19146 1 707 . 1 1 62 62 ASP CA C 13 52.63 0 . . . . . A 80 ASP CA . 19146 1 708 . 1 1 62 62 ASP CB C 13 40.613 0 . . . . . A 80 ASP CB . 19146 1 709 . 1 1 62 62 ASP N N 15 125.623 0 . . . . . A 80 ASP N . 19146 1 710 . 1 1 63 63 ILE H H 1 8.107 0 . . . . . A 81 ILE H . 19146 1 711 . 1 1 63 63 ILE HA H 1 4.086 0 . . . . . A 81 ILE HA . 19146 1 712 . 1 1 63 63 ILE HB H 1 1.895 0 . . . . . A 81 ILE HB . 19146 1 713 . 1 1 63 63 ILE HG12 H 1 1.221 0 . . . . . A 81 ILE HG12 . 19146 1 714 . 1 1 63 63 ILE HG13 H 1 1.088 0 . . . . . A 81 ILE HG13 . 19146 1 715 . 1 1 63 63 ILE HG21 H 1 0.719 0 . . . . . A 81 ILE HG21 . 19146 1 716 . 1 1 63 63 ILE HG22 H 1 0.719 0 . . . . . A 81 ILE HG22 . 19146 1 717 . 1 1 63 63 ILE HG23 H 1 0.719 0 . . . . . A 81 ILE HG23 . 19146 1 718 . 1 1 63 63 ILE HD11 H 1 0.65 0 . . . . . A 81 ILE HD11 . 19146 1 719 . 1 1 63 63 ILE HD12 H 1 0.65 0 . . . . . A 81 ILE HD12 . 19146 1 720 . 1 1 63 63 ILE HD13 H 1 0.65 0 . . . . . A 81 ILE HD13 . 19146 1 721 . 1 1 63 63 ILE C C 13 175.942 0 . . . . . A 81 ILE C . 19146 1 722 . 1 1 63 63 ILE CA C 13 61.676 0 . . . . . A 81 ILE CA . 19146 1 723 . 1 1 63 63 ILE CB C 13 38.026 0 . . . . . A 81 ILE CB . 19146 1 724 . 1 1 63 63 ILE CG1 C 13 26.673 0 . . . . . A 81 ILE CG1 . 19146 1 725 . 1 1 63 63 ILE CG2 C 13 18.567 0 . . . . . A 81 ILE CG2 . 19146 1 726 . 1 1 63 63 ILE CD1 C 13 14.218 0 . . . . . A 81 ILE CD1 . 19146 1 727 . 1 1 63 63 ILE N N 15 120.855 0 . . . . . A 81 ILE N . 19146 1 728 . 1 1 64 64 SER H H 1 8.487 0 . . . . . A 82 SER H . 19146 1 729 . 1 1 64 64 SER HA H 1 4.296 0 . . . . . A 82 SER HA . 19146 1 730 . 1 1 64 64 SER HB2 H 1 3.841 0 . . . . . A 82 SER HB2 . 19146 1 731 . 1 1 64 64 SER HB3 H 1 3.961 0 . . . . . A 82 SER HB3 . 19146 1 732 . 1 1 64 64 SER C C 13 174.374 0 . . . . . A 82 SER C . 19146 1 733 . 1 1 64 64 SER CA C 13 59.63 0 . . . . . A 82 SER CA . 19146 1 734 . 1 1 64 64 SER CB C 13 63.682 0 . . . . . A 82 SER CB . 19146 1 735 . 1 1 64 64 SER N N 15 117.63 0 . . . . . A 82 SER N . 19146 1 736 . 1 1 65 65 LYS H H 1 7.303 0 . . . . . A 83 LYS H . 19146 1 737 . 1 1 65 65 LYS HA H 1 4.642 0 . . . . . A 83 LYS HA . 19146 1 738 . 1 1 65 65 LYS HB2 H 1 1.685 0 . . . . . A 83 LYS HB2 . 19146 1 739 . 1 1 65 65 LYS HB3 H 1 1.788 0 . . . . . A 83 LYS HB3 . 19146 1 740 . 1 1 65 65 LYS HG2 H 1 1.329 0 . . . . . A 83 LYS HG2 . 19146 1 741 . 1 1 65 65 LYS HG3 H 1 1.414 0 . . . . . A 83 LYS HG3 . 19146 1 742 . 1 1 65 65 LYS HD2 H 1 1.644 0 . . . . . A 83 LYS HD2 . 19146 1 743 . 1 1 65 65 LYS HD3 H 1 1.644 0 . . . . . A 83 LYS HD3 . 19146 1 744 . 1 1 65 65 LYS HE2 H 1 2.973 0 . . . . . A 83 LYS HE2 . 19146 1 745 . 1 1 65 65 LYS HE3 H 1 2.973 0 . . . . . A 83 LYS HE3 . 19146 1 746 . 1 1 65 65 LYS C C 13 174.067 0 . . . . . A 83 LYS C . 19146 1 747 . 1 1 65 65 LYS CA C 13 53.418 0 . . . . . A 83 LYS CA . 19146 1 748 . 1 1 65 65 LYS CB C 13 32.686 0 . . . . . A 83 LYS CB . 19146 1 749 . 1 1 65 65 LYS CG C 13 24.447 0 . . . . . A 83 LYS CG . 19146 1 750 . 1 1 65 65 LYS CD C 13 29.037 0 . . . . . A 83 LYS CD . 19146 1 751 . 1 1 65 65 LYS CE C 13 42.116 0 . . . . . A 83 LYS CE . 19146 1 752 . 1 1 65 65 LYS N N 15 123.27 0 . . . . . A 83 LYS N . 19146 1 753 . 1 1 66 66 PRO HA H 1 4.364 0 . . . . . A 84 PRO HA . 19146 1 754 . 1 1 66 66 PRO HB2 H 1 2.277 0 . . . . . A 84 PRO HB2 . 19146 1 755 . 1 1 66 66 PRO HB3 H 1 1.875 0 . . . . . A 84 PRO HB3 . 19146 1 756 . 1 1 66 66 PRO HG2 H 1 1.984 0 . . . . . A 84 PRO HG2 . 19146 1 757 . 1 1 66 66 PRO HG3 H 1 2.057 0 . . . . . A 84 PRO HG3 . 19146 1 758 . 1 1 66 66 PRO HD2 H 1 3.605 0 . . . . . A 84 PRO HD2 . 19146 1 759 . 1 1 66 66 PRO HD3 H 1 3.881 0 . . . . . A 84 PRO HD3 . 19146 1 760 . 1 1 66 66 PRO C C 13 177.882 0 . . . . . A 84 PRO C . 19146 1 761 . 1 1 66 66 PRO CA C 13 63.404 0 . . . . . A 84 PRO CA . 19146 1 762 . 1 1 66 66 PRO CB C 13 31.851 0 . . . . . A 84 PRO CB . 19146 1 763 . 1 1 66 66 PRO CG C 13 27.551 0 . . . . . A 84 PRO CG . 19146 1 764 . 1 1 66 66 PRO CD C 13 50.585 0 . . . . . A 84 PRO CD . 19146 1 765 . 1 1 67 67 GLY H H 1 8.734 0 . . . . . A 85 GLY H . 19146 1 766 . 1 1 67 67 GLY HA2 H 1 4.031 0 . . . . . A 85 GLY HA2 . 19146 1 767 . 1 1 67 67 GLY HA3 H 1 3.766 0 . . . . . A 85 GLY HA3 . 19146 1 768 . 1 1 67 67 GLY C C 13 174.369 0 . . . . . A 85 GLY C . 19146 1 769 . 1 1 67 67 GLY CA C 13 45.423 0 . . . . . A 85 GLY CA . 19146 1 770 . 1 1 67 67 GLY N N 15 110.824 0 . . . . . A 85 GLY N . 19146 1 771 . 1 1 68 68 ALA H H 1 7.758 0 . . . . . A 86 ALA H . 19146 1 772 . 1 1 68 68 ALA HA H 1 4.196 0 . . . . . A 86 ALA HA . 19146 1 773 . 1 1 68 68 ALA HB1 H 1 1.344 0 . . . . . A 86 ALA HB1 . 19146 1 774 . 1 1 68 68 ALA HB2 H 1 1.344 0 . . . . . A 86 ALA HB2 . 19146 1 775 . 1 1 68 68 ALA HB3 H 1 1.344 0 . . . . . A 86 ALA HB3 . 19146 1 776 . 1 1 68 68 ALA C C 13 176.903 0 . . . . . A 86 ALA C . 19146 1 777 . 1 1 68 68 ALA CA C 13 52.738 0 . . . . . A 86 ALA CA . 19146 1 778 . 1 1 68 68 ALA CB C 13 19.474 0 . . . . . A 86 ALA CB . 19146 1 779 . 1 1 68 68 ALA N N 15 123.451 0 . . . . . A 86 ALA N . 19146 1 780 . 1 1 69 69 ASP H H 1 8.337 0 . . . . . A 87 ASP H . 19146 1 781 . 1 1 69 69 ASP HA H 1 4.673 0 . . . . . A 87 ASP HA . 19146 1 782 . 1 1 69 69 ASP HB2 H 1 2.662 0 . . . . . A 87 ASP HB2 . 19146 1 783 . 1 1 69 69 ASP HB3 H 1 2.501 0 . . . . . A 87 ASP HB3 . 19146 1 784 . 1 1 69 69 ASP C C 13 175.099 0 . . . . . A 87 ASP C . 19146 1 785 . 1 1 69 69 ASP CA C 13 53.589 0 . . . . . A 87 ASP CA . 19146 1 786 . 1 1 69 69 ASP CB C 13 41.569 0 . . . . . A 87 ASP CB . 19146 1 787 . 1 1 69 69 ASP N N 15 121.067 0 . . . . . A 87 ASP N . 19146 1 788 . 1 1 70 70 VAL H H 1 8.54 0 . . . . . A 88 VAL H . 19146 1 789 . 1 1 70 70 VAL HA H 1 4.143 0 . . . . . A 88 VAL HA . 19146 1 790 . 1 1 70 70 VAL HB H 1 2.183 0 . . . . . A 88 VAL HB . 19146 1 791 . 1 1 70 70 VAL HG11 H 1 0.974 0 . . . . . A 88 VAL HG11 . 19146 1 792 . 1 1 70 70 VAL HG12 H 1 0.974 0 . . . . . A 88 VAL HG12 . 19146 1 793 . 1 1 70 70 VAL HG13 H 1 0.974 0 . . . . . A 88 VAL HG13 . 19146 1 794 . 1 1 70 70 VAL HG21 H 1 0.947 0 . . . . . A 88 VAL HG21 . 19146 1 795 . 1 1 70 70 VAL HG22 H 1 0.947 0 . . . . . A 88 VAL HG22 . 19146 1 796 . 1 1 70 70 VAL HG23 H 1 0.947 0 . . . . . A 88 VAL HG23 . 19146 1 797 . 1 1 70 70 VAL C C 13 174.514 0 . . . . . A 88 VAL C . 19146 1 798 . 1 1 70 70 VAL CA C 13 61.651 0 . . . . . A 88 VAL CA . 19146 1 799 . 1 1 70 70 VAL CB C 13 32.922 0 . . . . . A 88 VAL CB . 19146 1 800 . 1 1 70 70 VAL CG1 C 13 21.692 0 . . . . . A 88 VAL CG1 . 19146 1 801 . 1 1 70 70 VAL CG2 C 13 21.587 0 . . . . . A 88 VAL CG2 . 19146 1 802 . 1 1 70 70 VAL N N 15 122.712 0 . . . . . A 88 VAL N . 19146 1 803 . 1 1 71 71 LYS H H 1 8.462 0 . . . . . A 89 LYS H . 19146 1 804 . 1 1 71 71 LYS HA H 1 4.776 0 . . . . . A 89 LYS HA . 19146 1 805 . 1 1 71 71 LYS HB2 H 1 1.544 0 . . . . . A 89 LYS HB2 . 19146 1 806 . 1 1 71 71 LYS HB3 H 1 1.337 0 . . . . . A 89 LYS HB3 . 19146 1 807 . 1 1 71 71 LYS HG2 H 1 1.325 0 . . . . . A 89 LYS HG2 . 19146 1 808 . 1 1 71 71 LYS HG3 H 1 1.005 0 . . . . . A 89 LYS HG3 . 19146 1 809 . 1 1 71 71 LYS HD2 H 1 1.555 0 . . . . . A 89 LYS HD2 . 19146 1 810 . 1 1 71 71 LYS HD3 H 1 1.475 0 . . . . . A 89 LYS HD3 . 19146 1 811 . 1 1 71 71 LYS HE2 H 1 2.902 0 . . . . . A 89 LYS HE2 . 19146 1 812 . 1 1 71 71 LYS HE3 H 1 2.902 0 . . . . . A 89 LYS HE3 . 19146 1 813 . 1 1 71 71 LYS C C 13 175.938 0 . . . . . A 89 LYS C . 19146 1 814 . 1 1 71 71 LYS CA C 13 54.478 0 . . . . . A 89 LYS CA . 19146 1 815 . 1 1 71 71 LYS CB C 13 34.941 0 . . . . . A 89 LYS CB . 19146 1 816 . 1 1 71 71 LYS CG C 13 25.222 0 . . . . . A 89 LYS CG . 19146 1 817 . 1 1 71 71 LYS CD C 13 29.049 0 . . . . . A 89 LYS CD . 19146 1 818 . 1 1 71 71 LYS CE C 13 42.076 0 . . . . . A 89 LYS CE . 19146 1 819 . 1 1 71 71 LYS N N 15 125.461 0 . . . . . A 89 LYS N . 19146 1 820 . 1 1 72 72 CYS H H 1 8.317 0 . . . . . A 90 CYS H . 19146 1 821 . 1 1 72 72 CYS HA H 1 4.183 0 . . . . . A 90 CYS HA . 19146 1 822 . 1 1 72 72 CYS HB2 H 1 3.474 0 . . . . . A 90 CYS HB2 . 19146 1 823 . 1 1 72 72 CYS HB3 H 1 2.769 0 . . . . . A 90 CYS HB3 . 19146 1 824 . 1 1 72 72 CYS C C 13 177.351 0 . . . . . A 90 CYS C . 19146 1 825 . 1 1 72 72 CYS CA C 13 60.039 0 . . . . . A 90 CYS CA . 19146 1 826 . 1 1 72 72 CYS CB C 13 31.778 0 . . . . . A 90 CYS CB . 19146 1 827 . 1 1 72 72 CYS N N 15 124.38 0 . . . . . A 90 CYS N . 19146 1 828 . 1 1 73 73 ASP H H 1 8.561 0 . . . . . A 91 ASP H . 19146 1 829 . 1 1 73 73 ASP HA H 1 4.424 0 . . . . . A 91 ASP HA . 19146 1 830 . 1 1 73 73 ASP HB2 H 1 2.826 0 . . . . . A 91 ASP HB2 . 19146 1 831 . 1 1 73 73 ASP HB3 H 1 2.733 0 . . . . . A 91 ASP HB3 . 19146 1 832 . 1 1 73 73 ASP C C 13 174.681 0 . . . . . A 91 ASP C . 19146 1 833 . 1 1 73 73 ASP CA C 13 56.06 0 . . . . . A 91 ASP CA . 19146 1 834 . 1 1 73 73 ASP CB C 13 40.807 0 . . . . . A 91 ASP CB . 19146 1 835 . 1 1 73 73 ASP N N 15 128.191 0 . . . . . A 91 ASP N . 19146 1 836 . 1 1 74 74 ILE H H 1 9.424 0 . . . . . A 92 ILE H . 19146 1 837 . 1 1 74 74 ILE HA H 1 3.879 0 . . . . . A 92 ILE HA . 19146 1 838 . 1 1 74 74 ILE HB H 1 1.719 0 . . . . . A 92 ILE HB . 19146 1 839 . 1 1 74 74 ILE HG12 H 1 1.413 0 . . . . . A 92 ILE HG12 . 19146 1 840 . 1 1 74 74 ILE HG13 H 1 0.965 0 . . . . . A 92 ILE HG13 . 19146 1 841 . 1 1 74 74 ILE HG21 H 1 0.757 0 . . . . . A 92 ILE HG21 . 19146 1 842 . 1 1 74 74 ILE HG22 H 1 0.757 0 . . . . . A 92 ILE HG22 . 19146 1 843 . 1 1 74 74 ILE HG23 H 1 0.757 0 . . . . . A 92 ILE HG23 . 19146 1 844 . 1 1 74 74 ILE HD11 H 1 0.707 0 . . . . . A 92 ILE HD11 . 19146 1 845 . 1 1 74 74 ILE HD12 H 1 0.707 0 . . . . . A 92 ILE HD12 . 19146 1 846 . 1 1 74 74 ILE HD13 H 1 0.707 0 . . . . . A 92 ILE HD13 . 19146 1 847 . 1 1 74 74 ILE C C 13 176.68 0 . . . . . A 92 ILE C . 19146 1 848 . 1 1 74 74 ILE CA C 13 63.083 0 . . . . . A 92 ILE CA . 19146 1 849 . 1 1 74 74 ILE CB C 13 38.183 0 . . . . . A 92 ILE CB . 19146 1 850 . 1 1 74 74 ILE CG1 C 13 27.174 0 . . . . . A 92 ILE CG1 . 19146 1 851 . 1 1 74 74 ILE CG2 C 13 18.38 0 . . . . . A 92 ILE CG2 . 19146 1 852 . 1 1 74 74 ILE CD1 C 13 12.015 0 . . . . . A 92 ILE CD1 . 19146 1 853 . 1 1 74 74 ILE N N 15 122.766 0 . . . . . A 92 ILE N . 19146 1 854 . 1 1 75 75 CYS H H 1 8.272 0 . . . . . A 93 CYS H . 19146 1 855 . 1 1 75 75 CYS HA H 1 4.622 0 . . . . . A 93 CYS HA . 19146 1 856 . 1 1 75 75 CYS HB2 H 1 3.125 0 . . . . . A 93 CYS HB2 . 19146 1 857 . 1 1 75 75 CYS HB3 H 1 3.25 0 . . . . . A 93 CYS HB3 . 19146 1 858 . 1 1 75 75 CYS C C 13 176.641 0 . . . . . A 93 CYS C . 19146 1 859 . 1 1 75 75 CYS CA C 13 58.994 0 . . . . . A 93 CYS CA . 19146 1 860 . 1 1 75 75 CYS CB C 13 30.841 0 . . . . . A 93 CYS CB . 19146 1 861 . 1 1 75 75 CYS N N 15 117.96 0 . . . . . A 93 CYS N . 19146 1 862 . 1 1 76 76 HIS H H 1 7.147 0 . . . . . A 94 HIS H . 19146 1 863 . 1 1 76 76 HIS HA H 1 4.642 0 . . . . . A 94 HIS HA . 19146 1 864 . 1 1 76 76 HIS HB2 H 1 3.305 0 . . . . . A 94 HIS HB2 . 19146 1 865 . 1 1 76 76 HIS HB3 H 1 3.549 0 . . . . . A 94 HIS HB3 . 19146 1 866 . 1 1 76 76 HIS CA C 13 56.845 0 . . . . . A 94 HIS CA . 19146 1 867 . 1 1 76 76 HIS CB C 13 26.048 0 . . . . . A 94 HIS CB . 19146 1 868 . 1 1 76 76 HIS N N 15 114.083 0 . . . . . A 94 HIS N . 19146 1 869 . 1 1 77 77 TYR H H 1 8.587 0 . . . . . A 95 TYR H . 19146 1 870 . 1 1 77 77 TYR HA H 1 4.848 0 . . . . . A 95 TYR HA . 19146 1 871 . 1 1 77 77 TYR HB2 H 1 3.346 0 . . . . . A 95 TYR HB2 . 19146 1 872 . 1 1 77 77 TYR HB3 H 1 3.059 0 . . . . . A 95 TYR HB3 . 19146 1 873 . 1 1 77 77 TYR HD1 H 1 7.271 0 . . . . . A 95 TYR HD1 . 19146 1 874 . 1 1 77 77 TYR HD2 H 1 7.271 0 . . . . . A 95 TYR HD2 . 19146 1 875 . 1 1 77 77 TYR HE1 H 1 6.875 0 . . . . . A 95 TYR HE1 . 19146 1 876 . 1 1 77 77 TYR HE2 H 1 6.875 0 . . . . . A 95 TYR HE2 . 19146 1 877 . 1 1 77 77 TYR C C 13 173.495 0 . . . . . A 95 TYR C . 19146 1 878 . 1 1 77 77 TYR CA C 13 57.345 0 . . . . . A 95 TYR CA . 19146 1 879 . 1 1 77 77 TYR CB C 13 39.716 0 . . . . . A 95 TYR CB . 19146 1 880 . 1 1 77 77 TYR CD1 C 13 133.865 0 . . . . . A 95 TYR CD1 . 19146 1 881 . 1 1 77 77 TYR CD2 C 13 133.865 0 . . . . . A 95 TYR CD2 . 19146 1 882 . 1 1 77 77 TYR CE1 C 13 118.264 0 . . . . . A 95 TYR CE1 . 19146 1 883 . 1 1 77 77 TYR CE2 C 13 118.264 0 . . . . . A 95 TYR CE2 . 19146 1 884 . 1 1 77 77 TYR N N 15 122.437 0 . . . . . A 95 TYR N . 19146 1 885 . 1 1 78 78 PRO HA H 1 4.568 0 . . . . . A 96 PRO HA . 19146 1 886 . 1 1 78 78 PRO HB2 H 1 2.214 0 . . . . . A 96 PRO HB2 . 19146 1 887 . 1 1 78 78 PRO HB3 H 1 1.746 0 . . . . . A 96 PRO HB3 . 19146 1 888 . 1 1 78 78 PRO HG2 H 1 1.819 0 . . . . . A 96 PRO HG2 . 19146 1 889 . 1 1 78 78 PRO HG3 H 1 2.015 0 . . . . . A 96 PRO HG3 . 19146 1 890 . 1 1 78 78 PRO HD2 H 1 3.275 0 . . . . . A 96 PRO HD2 . 19146 1 891 . 1 1 78 78 PRO HD3 H 1 3.737 0 . . . . . A 96 PRO HD3 . 19146 1 892 . 1 1 78 78 PRO C C 13 175.398 0 . . . . . A 96 PRO C . 19146 1 893 . 1 1 78 78 PRO CA C 13 62.599 0 . . . . . A 96 PRO CA . 19146 1 894 . 1 1 78 78 PRO CB C 13 31.939 0 . . . . . A 96 PRO CB . 19146 1 895 . 1 1 78 78 PRO CG C 13 27.944 0 . . . . . A 96 PRO CG . 19146 1 896 . 1 1 78 78 PRO CD C 13 50.974 0 . . . . . A 96 PRO CD . 19146 1 897 . 1 1 79 79 ILE H H 1 8.293 0 . . . . . A 97 ILE H . 19146 1 898 . 1 1 79 79 ILE HA H 1 4.004 0 . . . . . A 97 ILE HA . 19146 1 899 . 1 1 79 79 ILE HB H 1 1.638 0 . . . . . A 97 ILE HB . 19146 1 900 . 1 1 79 79 ILE HG12 H 1 1.601 0 . . . . . A 97 ILE HG12 . 19146 1 901 . 1 1 79 79 ILE HG13 H 1 1.055 0 . . . . . A 97 ILE HG13 . 19146 1 902 . 1 1 79 79 ILE HG21 H 1 0.471 0 . . . . . A 97 ILE HG21 . 19146 1 903 . 1 1 79 79 ILE HG22 H 1 0.471 0 . . . . . A 97 ILE HG22 . 19146 1 904 . 1 1 79 79 ILE HG23 H 1 0.471 0 . . . . . A 97 ILE HG23 . 19146 1 905 . 1 1 79 79 ILE HD11 H 1 0.636 0 . . . . . A 97 ILE HD11 . 19146 1 906 . 1 1 79 79 ILE HD12 H 1 0.636 0 . . . . . A 97 ILE HD12 . 19146 1 907 . 1 1 79 79 ILE HD13 H 1 0.636 0 . . . . . A 97 ILE HD13 . 19146 1 908 . 1 1 79 79 ILE C C 13 175.667 0 . . . . . A 97 ILE C . 19146 1 909 . 1 1 79 79 ILE CA C 13 60.285 0 . . . . . A 97 ILE CA . 19146 1 910 . 1 1 79 79 ILE CB C 13 38.237 0 . . . . . A 97 ILE CB . 19146 1 911 . 1 1 79 79 ILE CG1 C 13 28.58 0 . . . . . A 97 ILE CG1 . 19146 1 912 . 1 1 79 79 ILE CG2 C 13 17.979 0 . . . . . A 97 ILE CG2 . 19146 1 913 . 1 1 79 79 ILE CD1 C 13 12.594 0 . . . . . A 97 ILE CD1 . 19146 1 914 . 1 1 79 79 ILE N N 15 123.907 0 . . . . . A 97 ILE N . 19146 1 915 . 1 1 80 80 GLN H H 1 8.797 0 . . . . . A 98 GLN H . 19146 1 916 . 1 1 80 80 GLN HA H 1 4.474 0 . . . . . A 98 GLN HA . 19146 1 917 . 1 1 80 80 GLN HB2 H 1 1.931 0 . . . . . A 98 GLN HB2 . 19146 1 918 . 1 1 80 80 GLN HB3 H 1 1.998 0 . . . . . A 98 GLN HB3 . 19146 1 919 . 1 1 80 80 GLN HG2 H 1 2.295 0 . . . . . A 98 GLN HG2 . 19146 1 920 . 1 1 80 80 GLN HG3 H 1 2.295 0 . . . . . A 98 GLN HG3 . 19146 1 921 . 1 1 80 80 GLN HE21 H 1 7.478 0 . . . . . A 98 GLN HE21 . 19146 1 922 . 1 1 80 80 GLN HE22 H 1 6.892 0 . . . . . A 98 GLN HE22 . 19146 1 923 . 1 1 80 80 GLN C C 13 174.202 0 . . . . . A 98 GLN C . 19146 1 924 . 1 1 80 80 GLN CA C 13 54.365 0 . . . . . A 98 GLN CA . 19146 1 925 . 1 1 80 80 GLN CB C 13 30.049 0 . . . . . A 98 GLN CB . 19146 1 926 . 1 1 80 80 GLN CG C 13 33.8 0 . . . . . A 98 GLN CG . 19146 1 927 . 1 1 80 80 GLN N N 15 127.11 0 . . . . . A 98 GLN N . 19146 1 928 . 1 1 80 80 GLN NE2 N 15 112.908 0 . . . . . A 98 GLN NE2 . 19146 1 929 . 1 1 81 81 PHE H H 1 8.324 0 . . . . . A 99 PHE H . 19146 1 930 . 1 1 81 81 PHE HA H 1 4.537 0 . . . . . A 99 PHE HA . 19146 1 931 . 1 1 81 81 PHE HB2 H 1 2.987 0 . . . . . A 99 PHE HB2 . 19146 1 932 . 1 1 81 81 PHE HB3 H 1 2.811 0 . . . . . A 99 PHE HB3 . 19146 1 933 . 1 1 81 81 PHE HD1 H 1 7.188 0 . . . . . A 99 PHE HD1 . 19146 1 934 . 1 1 81 81 PHE HD2 H 1 7.188 0 . . . . . A 99 PHE HD2 . 19146 1 935 . 1 1 81 81 PHE HE1 H 1 7.142 0 . . . . . A 99 PHE HE1 . 19146 1 936 . 1 1 81 81 PHE HE2 H 1 7.142 0 . . . . . A 99 PHE HE2 . 19146 1 937 . 1 1 81 81 PHE HZ H 1 7.045 0 . . . . . A 99 PHE HZ . 19146 1 938 . 1 1 81 81 PHE C C 13 175.135 0 . . . . . A 99 PHE C . 19146 1 939 . 1 1 81 81 PHE CA C 13 57.737 0 . . . . . A 99 PHE CA . 19146 1 940 . 1 1 81 81 PHE CB C 13 40.166 0 . . . . . A 99 PHE CB . 19146 1 941 . 1 1 81 81 PHE CD1 C 13 132.242 0 . . . . . A 99 PHE CD1 . 19146 1 942 . 1 1 81 81 PHE CD2 C 13 132.242 0 . . . . . A 99 PHE CD2 . 19146 1 943 . 1 1 81 81 PHE CE1 C 13 130.872 0 . . . . . A 99 PHE CE1 . 19146 1 944 . 1 1 81 81 PHE CE2 C 13 130.872 0 . . . . . A 99 PHE CE2 . 19146 1 945 . 1 1 81 81 PHE CZ C 13 128.905 0 . . . . . A 99 PHE CZ . 19146 1 946 . 1 1 81 81 PHE N N 15 121.948 0 . . . . . A 99 PHE N . 19146 1 947 . 1 1 82 82 LYS H H 1 8.327 0 . . . . . A 100 LYS H . 19146 1 948 . 1 1 82 82 LYS HA H 1 4.317 0 . . . . . A 100 LYS HA . 19146 1 949 . 1 1 82 82 LYS HB2 H 1 1.595 0 . . . . . A 100 LYS HB2 . 19146 1 950 . 1 1 82 82 LYS HB3 H 1 1.761 0 . . . . . A 100 LYS HB3 . 19146 1 951 . 1 1 82 82 LYS HG2 H 1 1.275 0 . . . . . A 100 LYS HG2 . 19146 1 952 . 1 1 82 82 LYS HG3 H 1 1.275 0 . . . . . A 100 LYS HG3 . 19146 1 953 . 1 1 82 82 LYS HD2 H 1 1.574 0 . . . . . A 100 LYS HD2 . 19146 1 954 . 1 1 82 82 LYS HD3 H 1 1.574 0 . . . . . A 100 LYS HD3 . 19146 1 955 . 1 1 82 82 LYS HE2 H 1 2.901 0 . . . . . A 100 LYS HE2 . 19146 1 956 . 1 1 82 82 LYS HE3 H 1 2.901 0 . . . . . A 100 LYS HE3 . 19146 1 957 . 1 1 82 82 LYS C C 13 175.645 0 . . . . . A 100 LYS C . 19146 1 958 . 1 1 82 82 LYS CA C 13 56.193 0 . . . . . A 100 LYS CA . 19146 1 959 . 1 1 82 82 LYS CB C 13 33.126 0 . . . . . A 100 LYS CB . 19146 1 960 . 1 1 82 82 LYS CG C 13 24.487 0 . . . . . A 100 LYS CG . 19146 1 961 . 1 1 82 82 LYS CD C 13 29.057 0 . . . . . A 100 LYS CD . 19146 1 962 . 1 1 82 82 LYS CE C 13 42.051 0 . . . . . A 100 LYS CE . 19146 1 963 . 1 1 82 82 LYS N N 15 122.365 0 . . . . . A 100 LYS N . 19146 1 964 . 1 1 83 83 THR H H 1 7.836 0 . . . . . A 101 THR H . 19146 1 965 . 1 1 83 83 THR HA H 1 4.129 0 . . . . . A 101 THR HA . 19146 1 966 . 1 1 83 83 THR HB H 1 4.215 0 . . . . . A 101 THR HB . 19146 1 967 . 1 1 83 83 THR HG21 H 1 1.123 0 . . . . . A 101 THR HG21 . 19146 1 968 . 1 1 83 83 THR HG22 H 1 1.123 0 . . . . . A 101 THR HG22 . 19146 1 969 . 1 1 83 83 THR HG23 H 1 1.123 0 . . . . . A 101 THR HG23 . 19146 1 970 . 1 1 83 83 THR C C 13 179.219 0 . . . . . A 101 THR C . 19146 1 971 . 1 1 83 83 THR CA C 13 63.058 0 . . . . . A 101 THR CA . 19146 1 972 . 1 1 83 83 THR CB C 13 70.574 0 . . . . . A 101 THR CB . 19146 1 973 . 1 1 83 83 THR CG2 C 13 22.093 0 . . . . . A 101 THR CG2 . 19146 1 974 . 1 1 83 83 THR N N 15 121.021 0 . . . . . A 101 THR N . 19146 1 stop_ save_