data_11343 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11343 _Entry.Title ; Solution structure of the RING domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Miyamoto . . . 11343 2 M. Yoneyama . . . 11343 3 S. Koshiba . . . 11343 4 S. Watanabe . . . 11343 5 T. Harada . . . 11343 6 T. Kigawa . . . 11343 7 S. Yokoyama . . . 11343 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11343 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11343 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 11343 '15N chemical shifts' 46 11343 '1H chemical shifts' 336 11343 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 . . 2011-08-19 2010-08-10 original author . 11343 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECM 'BMRB Entry Tracking System' 11343 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11343 _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 the RING domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 K. Miyamoto . . . 11343 1 2 M. Yoneyama . . . 11343 1 3 S. Koshiba . . . 11343 1 4 S. Watanabe . . . 11343 1 5 T. Harada . . . 11343 1 6 T. Kigawa . . . 11343 1 7 S. Yokoyama . . . 11343 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11343 _Assembly.ID 1 _Assembly.Name 'RING finger and CHY zinc finger domain-containing protein 1' _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' 1 $entity_1 A . yes native no no . . . 11343 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11343 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11343 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'RING domain' 1 CYS 8 8 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 8 CYS SG . . . . ZN 11343 1 2 coordination single . 1 'RING domain' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11343 1 3 coordination single . 1 'RING domain' 1 HIS 32 32 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 32 HIS ND1 . . . . ZN 11343 1 4 coordination single . 1 'RING domain' 1 CYS 35 35 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 35 CYS SG . . . . ZN 11343 1 5 coordination single . 1 'RING domain' 1 CYS 27 27 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 27 CYS SG . . . . ZN 11343 1 6 coordination single . 1 'RING domain' 1 HIS 29 29 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 29 HIS ND1 . . . . ZN 11343 1 7 coordination single . 1 'RING domain' 1 CYS 46 46 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 46 CYS SG . . . . ZN 11343 1 8 coordination single . 1 'RING domain' 1 CYS 49 49 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 49 CYS SG . . . . ZN 11343 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 46 46 HG . 46 CYS HG 11343 1 . . 1 1 CYS 49 49 HG . 49 CYS HG 11343 1 . . 1 1 CYS 27 27 HG . 27 CYS HG 11343 1 . . 1 1 HIS 29 29 HD1 . 29 HIS HD1 11343 1 . . 1 1 HIS 32 32 HD1 . 32 HIS HD1 11343 1 . . 1 1 CYS 35 35 HG . 35 CYS HG 11343 1 . . 1 1 CYS 8 8 HG . 8 CYS HG 11343 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11343 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ecm . . . . . . 11343 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11343 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING domain' _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 ; GSSGSSGCPICLEDIHTSRV VAHVLPCGHLLHRTCYEEML KEGYRCPLCSGPSSG ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2ECM . "Solution Structure Of The Ring Domain Of The Ring Finger And Chy Zinc Finger Domain-Containing Protein 1 From Mus Musculus" . . . . . 100.00 55 100.00 100.00 1.17e-29 . . . . 11343 1 2 no REF XP_003479597 . "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 [Cavia porcellus]" . . . . . 76.36 171 100.00 100.00 9.89e-20 . . . . 11343 1 3 no REF XP_006142996 . "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 [Tupaia chinensis]" . . . . . 76.36 261 97.62 100.00 6.55e-18 . . . . 11343 1 4 no REF XP_013965461 . "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 isoform X3 [Canis lupus familiaris]" . . . . . 67.27 266 97.30 100.00 3.14e-16 . . . . 11343 1 5 no REF XP_013965464 . "PREDICTED: RING finger and CHY zinc finger domain-containing protein 1 isoform X7 [Canis lupus familiaris]" . . . . . 67.27 244 97.30 100.00 4.27e-14 . . . . 11343 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11343 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11343 1 2 . SER . 11343 1 3 . SER . 11343 1 4 . GLY . 11343 1 5 . SER . 11343 1 6 . SER . 11343 1 7 . GLY . 11343 1 8 . CYS . 11343 1 9 . PRO . 11343 1 10 . ILE . 11343 1 11 . CYS . 11343 1 12 . LEU . 11343 1 13 . GLU . 11343 1 14 . ASP . 11343 1 15 . ILE . 11343 1 16 . HIS . 11343 1 17 . THR . 11343 1 18 . SER . 11343 1 19 . ARG . 11343 1 20 . VAL . 11343 1 21 . VAL . 11343 1 22 . ALA . 11343 1 23 . HIS . 11343 1 24 . VAL . 11343 1 25 . LEU . 11343 1 26 . PRO . 11343 1 27 . CYS . 11343 1 28 . GLY . 11343 1 29 . HIS . 11343 1 30 . LEU . 11343 1 31 . LEU . 11343 1 32 . HIS . 11343 1 33 . ARG . 11343 1 34 . THR . 11343 1 35 . CYS . 11343 1 36 . TYR . 11343 1 37 . GLU . 11343 1 38 . GLU . 11343 1 39 . MET . 11343 1 40 . LEU . 11343 1 41 . LYS . 11343 1 42 . GLU . 11343 1 43 . GLY . 11343 1 44 . TYR . 11343 1 45 . ARG . 11343 1 46 . CYS . 11343 1 47 . PRO . 11343 1 48 . LEU . 11343 1 49 . CYS . 11343 1 50 . SER . 11343 1 51 . GLY . 11343 1 52 . PRO . 11343 1 53 . SER . 11343 1 54 . SER . 11343 1 55 . GLY . 11343 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11343 1 . SER 2 2 11343 1 . SER 3 3 11343 1 . GLY 4 4 11343 1 . SER 5 5 11343 1 . SER 6 6 11343 1 . GLY 7 7 11343 1 . CYS 8 8 11343 1 . PRO 9 9 11343 1 . ILE 10 10 11343 1 . CYS 11 11 11343 1 . LEU 12 12 11343 1 . GLU 13 13 11343 1 . ASP 14 14 11343 1 . ILE 15 15 11343 1 . HIS 16 16 11343 1 . THR 17 17 11343 1 . SER 18 18 11343 1 . ARG 19 19 11343 1 . VAL 20 20 11343 1 . VAL 21 21 11343 1 . ALA 22 22 11343 1 . HIS 23 23 11343 1 . VAL 24 24 11343 1 . LEU 25 25 11343 1 . PRO 26 26 11343 1 . CYS 27 27 11343 1 . GLY 28 28 11343 1 . HIS 29 29 11343 1 . LEU 30 30 11343 1 . LEU 31 31 11343 1 . HIS 32 32 11343 1 . ARG 33 33 11343 1 . THR 34 34 11343 1 . CYS 35 35 11343 1 . TYR 36 36 11343 1 . GLU 37 37 11343 1 . GLU 38 38 11343 1 . MET 39 39 11343 1 . LEU 40 40 11343 1 . LYS 41 41 11343 1 . GLU 42 42 11343 1 . GLY 43 43 11343 1 . TYR 44 44 11343 1 . ARG 45 45 11343 1 . CYS 46 46 11343 1 . PRO 47 47 11343 1 . LEU 48 48 11343 1 . CYS 49 49 11343 1 . SER 50 50 11343 1 . GLY 51 51 11343 1 . PRO 52 52 11343 1 . SER 53 53 11343 1 . SER 54 54 11343 1 . GLY 55 55 11343 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11343 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11343 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 11343 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11343 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 11343 _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 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060911-23 . . . . . . 11343 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 11343 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 11343 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11343 ZN [Zn++] SMILES CACTVS 3.341 11343 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11343 ZN [Zn+2] SMILES ACDLabs 10.04 11343 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11343 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11343 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 11343 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11343 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11343 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11343 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11343 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11343 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11343 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11343 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11343 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11343 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11343 1 8 H2O . . . . . . solvent 90 . . % . . . . 11343 1 9 D2O . . . . . . solvent 10 . . % . . . . 11343 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11343 _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' 120 0.1 mM 11343 1 pH 7.0 0.05 pH 11343 1 pressure 1 0.001 atm 11343 1 temperature 296 0.1 K 11343 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11343 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11343 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11343 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11343 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11343 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11343 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11343 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11343 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11343 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11343 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11343 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11343 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11343 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11343 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11343 5 'structure solution' 11343 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11343 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11343 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11343 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 11343 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11343 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11343 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11343 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11343 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11343 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11343 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11343 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11343 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11343 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11343 1 2 $NMRPipe . . 11343 1 3 $NMRView . . 11343 1 4 $Kujira . . 11343 1 5 $CYANA . . 11343 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 4 4 GLY HA2 H 1 4.006 0.030 . 1 . . . . 4 GLY HA2 . 11343 1 2 . 1 1 4 4 GLY HA3 H 1 4.006 0.030 . 1 . . . . 4 GLY HA3 . 11343 1 3 . 1 1 4 4 GLY C C 13 174.214 0.300 . 1 . . . . 4 GLY C . 11343 1 4 . 1 1 4 4 GLY CA C 13 45.404 0.300 . 1 . . . . 4 GLY CA . 11343 1 5 . 1 1 5 5 SER H H 1 8.232 0.030 . 1 . . . . 5 SER H . 11343 1 6 . 1 1 5 5 SER HA H 1 4.597 0.030 . 1 . . . . 5 SER HA . 11343 1 7 . 1 1 5 5 SER HB2 H 1 3.823 0.030 . 1 . . . . 5 SER HB2 . 11343 1 8 . 1 1 5 5 SER HB3 H 1 3.823 0.030 . 1 . . . . 5 SER HB3 . 11343 1 9 . 1 1 5 5 SER C C 13 174.510 0.300 . 1 . . . . 5 SER C . 11343 1 10 . 1 1 5 5 SER CA C 13 58.231 0.300 . 1 . . . . 5 SER CA . 11343 1 11 . 1 1 5 5 SER CB C 13 63.964 0.300 . 1 . . . . 5 SER CB . 11343 1 12 . 1 1 5 5 SER N N 15 115.834 0.300 . 1 . . . . 5 SER N . 11343 1 13 . 1 1 6 6 SER H H 1 8.451 0.030 . 1 . . . . 6 SER H . 11343 1 14 . 1 1 6 6 SER HA H 1 4.552 0.030 . 1 . . . . 6 SER HA . 11343 1 15 . 1 1 6 6 SER HB2 H 1 3.845 0.030 . 1 . . . . 6 SER HB2 . 11343 1 16 . 1 1 6 6 SER HB3 H 1 3.845 0.030 . 1 . . . . 6 SER HB3 . 11343 1 17 . 1 1 6 6 SER C C 13 173.971 0.300 . 1 . . . . 6 SER C . 11343 1 18 . 1 1 6 6 SER CA C 13 58.156 0.300 . 1 . . . . 6 SER CA . 11343 1 19 . 1 1 6 6 SER CB C 13 64.015 0.300 . 1 . . . . 6 SER CB . 11343 1 20 . 1 1 6 6 SER N N 15 117.814 0.300 . 1 . . . . 6 SER N . 11343 1 21 . 1 1 7 7 GLY H H 1 8.297 0.030 . 1 . . . . 7 GLY H . 11343 1 22 . 1 1 7 7 GLY HA2 H 1 3.530 0.030 . 2 . . . . 7 GLY HA2 . 11343 1 23 . 1 1 7 7 GLY HA3 H 1 4.120 0.030 . 2 . . . . 7 GLY HA3 . 11343 1 24 . 1 1 7 7 GLY C C 13 173.477 0.300 . 1 . . . . 7 GLY C . 11343 1 25 . 1 1 7 7 GLY CA C 13 44.654 0.300 . 1 . . . . 7 GLY CA . 11343 1 26 . 1 1 7 7 GLY N N 15 109.877 0.300 . 1 . . . . 7 GLY N . 11343 1 27 . 1 1 8 8 CYS H H 1 8.464 0.030 . 1 . . . . 8 CYS H . 11343 1 28 . 1 1 8 8 CYS HA H 1 4.755 0.030 . 1 . . . . 8 CYS HA . 11343 1 29 . 1 1 8 8 CYS HB2 H 1 3.616 0.030 . 2 . . . . 8 CYS HB2 . 11343 1 30 . 1 1 8 8 CYS HB3 H 1 2.458 0.030 . 2 . . . . 8 CYS HB3 . 11343 1 31 . 1 1 8 8 CYS C C 13 176.154 0.300 . 1 . . . . 8 CYS C . 11343 1 32 . 1 1 8 8 CYS CA C 13 56.448 0.300 . 1 . . . . 8 CYS CA . 11343 1 33 . 1 1 8 8 CYS CB C 13 31.645 0.300 . 1 . . . . 8 CYS CB . 11343 1 34 . 1 1 8 8 CYS N N 15 127.024 0.300 . 1 . . . . 8 CYS N . 11343 1 35 . 1 1 9 9 PRO HA H 1 4.478 0.030 . 1 . . . . 9 PRO HA . 11343 1 36 . 1 1 9 9 PRO HB2 H 1 1.916 0.030 . 2 . . . . 9 PRO HB2 . 11343 1 37 . 1 1 9 9 PRO HB3 H 1 2.177 0.030 . 2 . . . . 9 PRO HB3 . 11343 1 38 . 1 1 9 9 PRO HD2 H 1 3.994 0.030 . 2 . . . . 9 PRO HD2 . 11343 1 39 . 1 1 9 9 PRO HD3 H 1 4.460 0.030 . 2 . . . . 9 PRO HD3 . 11343 1 40 . 1 1 9 9 PRO HG2 H 1 1.939 0.030 . 2 . . . . 9 PRO HG2 . 11343 1 41 . 1 1 9 9 PRO HG3 H 1 1.794 0.030 . 2 . . . . 9 PRO HG3 . 11343 1 42 . 1 1 9 9 PRO C C 13 175.602 0.300 . 1 . . . . 9 PRO C . 11343 1 43 . 1 1 9 9 PRO CA C 13 63.846 0.300 . 1 . . . . 9 PRO CA . 11343 1 44 . 1 1 9 9 PRO CB C 13 32.259 0.300 . 1 . . . . 9 PRO CB . 11343 1 45 . 1 1 9 9 PRO CD C 13 51.007 0.300 . 1 . . . . 9 PRO CD . 11343 1 46 . 1 1 9 9 PRO CG C 13 27.241 0.300 . 1 . . . . 9 PRO CG . 11343 1 47 . 1 1 10 10 ILE H H 1 8.504 0.030 . 1 . . . . 10 ILE H . 11343 1 48 . 1 1 10 10 ILE HA H 1 4.158 0.030 . 1 . . . . 10 ILE HA . 11343 1 49 . 1 1 10 10 ILE HB H 1 2.149 0.030 . 1 . . . . 10 ILE HB . 11343 1 50 . 1 1 10 10 ILE HD11 H 1 0.903 0.030 . 1 . . . . 10 ILE HD1 . 11343 1 51 . 1 1 10 10 ILE HD12 H 1 0.903 0.030 . 1 . . . . 10 ILE HD1 . 11343 1 52 . 1 1 10 10 ILE HD13 H 1 0.903 0.030 . 1 . . . . 10 ILE HD1 . 11343 1 53 . 1 1 10 10 ILE HG12 H 1 1.483 0.030 . 1 . . . . 10 ILE HG12 . 11343 1 54 . 1 1 10 10 ILE HG13 H 1 1.483 0.030 . 1 . . . . 10 ILE HG13 . 11343 1 55 . 1 1 10 10 ILE HG21 H 1 1.000 0.030 . 1 . . . . 10 ILE HG2 . 11343 1 56 . 1 1 10 10 ILE HG22 H 1 1.000 0.030 . 1 . . . . 10 ILE HG2 . 11343 1 57 . 1 1 10 10 ILE HG23 H 1 1.000 0.030 . 1 . . . . 10 ILE HG2 . 11343 1 58 . 1 1 10 10 ILE C C 13 175.960 0.300 . 1 . . . . 10 ILE C . 11343 1 59 . 1 1 10 10 ILE CA C 13 62.474 0.300 . 1 . . . . 10 ILE CA . 11343 1 60 . 1 1 10 10 ILE CB C 13 37.136 0.300 . 1 . . . . 10 ILE CB . 11343 1 61 . 1 1 10 10 ILE CD1 C 13 12.052 0.300 . 1 . . . . 10 ILE CD1 . 11343 1 62 . 1 1 10 10 ILE CG1 C 13 28.348 0.300 . 1 . . . . 10 ILE CG1 . 11343 1 63 . 1 1 10 10 ILE CG2 C 13 16.415 0.300 . 1 . . . . 10 ILE CG2 . 11343 1 64 . 1 1 10 10 ILE N N 15 121.135 0.300 . 1 . . . . 10 ILE N . 11343 1 65 . 1 1 11 11 CYS H H 1 7.530 0.030 . 1 . . . . 11 CYS H . 11343 1 66 . 1 1 11 11 CYS HA H 1 4.833 0.030 . 1 . . . . 11 CYS HA . 11343 1 67 . 1 1 11 11 CYS HB2 H 1 2.939 0.030 . 2 . . . . 11 CYS HB2 . 11343 1 68 . 1 1 11 11 CYS HB3 H 1 3.242 0.030 . 2 . . . . 11 CYS HB3 . 11343 1 69 . 1 1 11 11 CYS C C 13 175.806 0.300 . 1 . . . . 11 CYS C . 11343 1 70 . 1 1 11 11 CYS CA C 13 58.362 0.300 . 1 . . . . 11 CYS CA . 11343 1 71 . 1 1 11 11 CYS CB C 13 31.547 0.300 . 1 . . . . 11 CYS CB . 11343 1 72 . 1 1 11 11 CYS N N 15 116.085 0.300 . 1 . . . . 11 CYS N . 11343 1 73 . 1 1 12 12 LEU H H 1 7.945 0.030 . 1 . . . . 12 LEU H . 11343 1 74 . 1 1 12 12 LEU HA H 1 4.231 0.030 . 1 . . . . 12 LEU HA . 11343 1 75 . 1 1 12 12 LEU HB2 H 1 1.649 0.030 . 2 . . . . 12 LEU HB2 . 11343 1 76 . 1 1 12 12 LEU HB3 H 1 2.198 0.030 . 2 . . . . 12 LEU HB3 . 11343 1 77 . 1 1 12 12 LEU HD11 H 1 0.874 0.030 . 1 . . . . 12 LEU HD1 . 11343 1 78 . 1 1 12 12 LEU HD12 H 1 0.874 0.030 . 1 . . . . 12 LEU HD1 . 11343 1 79 . 1 1 12 12 LEU HD13 H 1 0.874 0.030 . 1 . . . . 12 LEU HD1 . 11343 1 80 . 1 1 12 12 LEU HD21 H 1 0.804 0.030 . 1 . . . . 12 LEU HD2 . 11343 1 81 . 1 1 12 12 LEU HD22 H 1 0.804 0.030 . 1 . . . . 12 LEU HD2 . 11343 1 82 . 1 1 12 12 LEU HD23 H 1 0.804 0.030 . 1 . . . . 12 LEU HD2 . 11343 1 83 . 1 1 12 12 LEU HG H 1 1.407 0.030 . 1 . . . . 12 LEU HG . 11343 1 84 . 1 1 12 12 LEU C C 13 176.629 0.300 . 1 . . . . 12 LEU C . 11343 1 85 . 1 1 12 12 LEU CA C 13 57.133 0.300 . 1 . . . . 12 LEU CA . 11343 1 86 . 1 1 12 12 LEU CB C 13 38.276 0.300 . 1 . . . . 12 LEU CB . 11343 1 87 . 1 1 12 12 LEU CD1 C 13 25.166 0.300 . 2 . . . . 12 LEU CD1 . 11343 1 88 . 1 1 12 12 LEU CD2 C 13 22.658 0.300 . 2 . . . . 12 LEU CD2 . 11343 1 89 . 1 1 12 12 LEU CG C 13 27.405 0.300 . 1 . . . . 12 LEU CG . 11343 1 90 . 1 1 12 12 LEU N N 15 118.266 0.300 . 1 . . . . 12 LEU N . 11343 1 91 . 1 1 13 13 GLU H H 1 8.570 0.030 . 1 . . . . 13 GLU H . 11343 1 92 . 1 1 13 13 GLU HA H 1 4.653 0.030 . 1 . . . . 13 GLU HA . 11343 1 93 . 1 1 13 13 GLU HB2 H 1 2.218 0.030 . 1 . . . . 13 GLU HB2 . 11343 1 94 . 1 1 13 13 GLU HB3 H 1 2.218 0.030 . 1 . . . . 13 GLU HB3 . 11343 1 95 . 1 1 13 13 GLU HG2 H 1 2.400 0.030 . 2 . . . . 13 GLU HG2 . 11343 1 96 . 1 1 13 13 GLU HG3 H 1 2.286 0.030 . 2 . . . . 13 GLU HG3 . 11343 1 97 . 1 1 13 13 GLU C C 13 176.640 0.300 . 1 . . . . 13 GLU C . 11343 1 98 . 1 1 13 13 GLU CA C 13 55.490 0.300 . 1 . . . . 13 GLU CA . 11343 1 99 . 1 1 13 13 GLU CB C 13 31.346 0.300 . 1 . . . . 13 GLU CB . 11343 1 100 . 1 1 13 13 GLU CG C 13 36.156 0.300 . 1 . . . . 13 GLU CG . 11343 1 101 . 1 1 13 13 GLU N N 15 120.741 0.300 . 1 . . . . 13 GLU N . 11343 1 102 . 1 1 14 14 ASP H H 1 8.733 0.030 . 1 . . . . 14 ASP H . 11343 1 103 . 1 1 14 14 ASP HA H 1 4.507 0.030 . 1 . . . . 14 ASP HA . 11343 1 104 . 1 1 14 14 ASP HB2 H 1 2.535 0.030 . 2 . . . . 14 ASP HB2 . 11343 1 105 . 1 1 14 14 ASP HB3 H 1 2.424 0.030 . 2 . . . . 14 ASP HB3 . 11343 1 106 . 1 1 14 14 ASP C C 13 176.979 0.300 . 1 . . . . 14 ASP C . 11343 1 107 . 1 1 14 14 ASP CA C 13 55.403 0.300 . 1 . . . . 14 ASP CA . 11343 1 108 . 1 1 14 14 ASP CB C 13 41.625 0.300 . 1 . . . . 14 ASP CB . 11343 1 109 . 1 1 14 14 ASP N N 15 121.194 0.300 . 1 . . . . 14 ASP N . 11343 1 110 . 1 1 15 15 ILE H H 1 8.665 0.030 . 1 . . . . 15 ILE H . 11343 1 111 . 1 1 15 15 ILE HA H 1 3.922 0.030 . 1 . . . . 15 ILE HA . 11343 1 112 . 1 1 15 15 ILE HB H 1 1.525 0.030 . 1 . . . . 15 ILE HB . 11343 1 113 . 1 1 15 15 ILE HD11 H 1 0.312 0.030 . 1 . . . . 15 ILE HD1 . 11343 1 114 . 1 1 15 15 ILE HD12 H 1 0.312 0.030 . 1 . . . . 15 ILE HD1 . 11343 1 115 . 1 1 15 15 ILE HD13 H 1 0.312 0.030 . 1 . . . . 15 ILE HD1 . 11343 1 116 . 1 1 15 15 ILE HG12 H 1 1.208 0.030 . 2 . . . . 15 ILE HG12 . 11343 1 117 . 1 1 15 15 ILE HG13 H 1 0.125 0.030 . 2 . . . . 15 ILE HG13 . 11343 1 118 . 1 1 15 15 ILE HG21 H 1 0.505 0.030 . 1 . . . . 15 ILE HG2 . 11343 1 119 . 1 1 15 15 ILE HG22 H 1 0.505 0.030 . 1 . . . . 15 ILE HG2 . 11343 1 120 . 1 1 15 15 ILE HG23 H 1 0.505 0.030 . 1 . . . . 15 ILE HG2 . 11343 1 121 . 1 1 15 15 ILE C C 13 175.500 0.300 . 1 . . . . 15 ILE C . 11343 1 122 . 1 1 15 15 ILE CA C 13 60.970 0.300 . 1 . . . . 15 ILE CA . 11343 1 123 . 1 1 15 15 ILE CB C 13 38.873 0.300 . 1 . . . . 15 ILE CB . 11343 1 124 . 1 1 15 15 ILE CD1 C 13 13.479 0.300 . 1 . . . . 15 ILE CD1 . 11343 1 125 . 1 1 15 15 ILE CG1 C 13 27.593 0.300 . 1 . . . . 15 ILE CG1 . 11343 1 126 . 1 1 15 15 ILE CG2 C 13 17.412 0.300 . 1 . . . . 15 ILE CG2 . 11343 1 127 . 1 1 15 15 ILE N N 15 122.887 0.300 . 1 . . . . 15 ILE N . 11343 1 128 . 1 1 16 16 HIS H H 1 8.455 0.030 . 1 . . . . 16 HIS H . 11343 1 129 . 1 1 16 16 HIS HA H 1 4.767 0.030 . 1 . . . . 16 HIS HA . 11343 1 130 . 1 1 16 16 HIS HB2 H 1 3.151 0.030 . 1 . . . . 16 HIS HB2 . 11343 1 131 . 1 1 16 16 HIS HB3 H 1 3.151 0.030 . 1 . . . . 16 HIS HB3 . 11343 1 132 . 1 1 16 16 HIS HD2 H 1 7.093 0.030 . 1 . . . . 16 HIS HD2 . 11343 1 133 . 1 1 16 16 HIS HE1 H 1 7.856 0.030 . 1 . . . . 16 HIS HE1 . 11343 1 134 . 1 1 16 16 HIS C C 13 176.429 0.300 . 1 . . . . 16 HIS C . 11343 1 135 . 1 1 16 16 HIS CA C 13 56.505 0.300 . 1 . . . . 16 HIS CA . 11343 1 136 . 1 1 16 16 HIS CB C 13 30.410 0.300 . 1 . . . . 16 HIS CB . 11343 1 137 . 1 1 16 16 HIS CD2 C 13 119.253 0.300 . 1 . . . . 16 HIS CD2 . 11343 1 138 . 1 1 16 16 HIS CE1 C 13 138.533 0.300 . 1 . . . . 16 HIS CE1 . 11343 1 139 . 1 1 16 16 HIS N N 15 124.407 0.300 . 1 . . . . 16 HIS N . 11343 1 140 . 1 1 17 17 THR H H 1 8.099 0.030 . 1 . . . . 17 THR H . 11343 1 141 . 1 1 17 17 THR HA H 1 4.335 0.030 . 1 . . . . 17 THR HA . 11343 1 142 . 1 1 17 17 THR HB H 1 4.393 0.030 . 1 . . . . 17 THR HB . 11343 1 143 . 1 1 17 17 THR HG21 H 1 1.205 0.030 . 1 . . . . 17 THR HG2 . 11343 1 144 . 1 1 17 17 THR HG22 H 1 1.205 0.030 . 1 . . . . 17 THR HG2 . 11343 1 145 . 1 1 17 17 THR HG23 H 1 1.205 0.030 . 1 . . . . 17 THR HG2 . 11343 1 146 . 1 1 17 17 THR C C 13 174.923 0.300 . 1 . . . . 17 THR C . 11343 1 147 . 1 1 17 17 THR CA C 13 63.091 0.300 . 1 . . . . 17 THR CA . 11343 1 148 . 1 1 17 17 THR CB C 13 68.960 0.300 . 1 . . . . 17 THR CB . 11343 1 149 . 1 1 17 17 THR CG2 C 13 21.976 0.300 . 1 . . . . 17 THR CG2 . 11343 1 150 . 1 1 17 17 THR N N 15 114.571 0.300 . 1 . . . . 17 THR N . 11343 1 151 . 1 1 18 18 SER H H 1 8.012 0.030 . 1 . . . . 18 SER H . 11343 1 152 . 1 1 18 18 SER HA H 1 4.468 0.030 . 1 . . . . 18 SER HA . 11343 1 153 . 1 1 18 18 SER HB2 H 1 4.031 0.030 . 2 . . . . 18 SER HB2 . 11343 1 154 . 1 1 18 18 SER HB3 H 1 3.946 0.030 . 2 . . . . 18 SER HB3 . 11343 1 155 . 1 1 18 18 SER C C 13 175.049 0.300 . 1 . . . . 18 SER C . 11343 1 156 . 1 1 18 18 SER CA C 13 59.105 0.300 . 1 . . . . 18 SER CA . 11343 1 157 . 1 1 18 18 SER CB C 13 63.667 0.300 . 1 . . . . 18 SER CB . 11343 1 158 . 1 1 19 19 ARG H H 1 8.322 0.030 . 1 . . . . 19 ARG H . 11343 1 159 . 1 1 19 19 ARG HA H 1 4.368 0.030 . 1 . . . . 19 ARG HA . 11343 1 160 . 1 1 19 19 ARG HB2 H 1 1.859 0.030 . 2 . . . . 19 ARG HB2 . 11343 1 161 . 1 1 19 19 ARG HB3 H 1 1.969 0.030 . 2 . . . . 19 ARG HB3 . 11343 1 162 . 1 1 19 19 ARG HD2 H 1 3.178 0.030 . 1 . . . . 19 ARG HD2 . 11343 1 163 . 1 1 19 19 ARG HD3 H 1 3.178 0.030 . 1 . . . . 19 ARG HD3 . 11343 1 164 . 1 1 19 19 ARG HG2 H 1 1.637 0.030 . 1 . . . . 19 ARG HG2 . 11343 1 165 . 1 1 19 19 ARG HG3 H 1 1.637 0.030 . 1 . . . . 19 ARG HG3 . 11343 1 166 . 1 1 19 19 ARG C C 13 176.137 0.300 . 1 . . . . 19 ARG C . 11343 1 167 . 1 1 19 19 ARG CA C 13 57.194 0.300 . 1 . . . . 19 ARG CA . 11343 1 168 . 1 1 19 19 ARG CB C 13 31.072 0.300 . 1 . . . . 19 ARG CB . 11343 1 169 . 1 1 19 19 ARG CD C 13 43.246 0.300 . 1 . . . . 19 ARG CD . 11343 1 170 . 1 1 19 19 ARG CG C 13 27.451 0.300 . 1 . . . . 19 ARG CG . 11343 1 171 . 1 1 19 19 ARG N N 15 120.678 0.300 . 1 . . . . 19 ARG N . 11343 1 172 . 1 1 20 20 VAL H H 1 7.833 0.030 . 1 . . . . 20 VAL H . 11343 1 173 . 1 1 20 20 VAL HA H 1 4.382 0.030 . 1 . . . . 20 VAL HA . 11343 1 174 . 1 1 20 20 VAL HB H 1 2.169 0.030 . 1 . . . . 20 VAL HB . 11343 1 175 . 1 1 20 20 VAL HG11 H 1 1.052 0.030 . 1 . . . . 20 VAL HG1 . 11343 1 176 . 1 1 20 20 VAL HG12 H 1 1.052 0.030 . 1 . . . . 20 VAL HG1 . 11343 1 177 . 1 1 20 20 VAL HG13 H 1 1.052 0.030 . 1 . . . . 20 VAL HG1 . 11343 1 178 . 1 1 20 20 VAL HG21 H 1 0.982 0.030 . 1 . . . . 20 VAL HG2 . 11343 1 179 . 1 1 20 20 VAL HG22 H 1 0.982 0.030 . 1 . . . . 20 VAL HG2 . 11343 1 180 . 1 1 20 20 VAL HG23 H 1 0.982 0.030 . 1 . . . . 20 VAL HG2 . 11343 1 181 . 1 1 20 20 VAL C C 13 175.230 0.300 . 1 . . . . 20 VAL C . 11343 1 182 . 1 1 20 20 VAL CA C 13 61.273 0.300 . 1 . . . . 20 VAL CA . 11343 1 183 . 1 1 20 20 VAL CB C 13 33.760 0.300 . 1 . . . . 20 VAL CB . 11343 1 184 . 1 1 20 20 VAL CG1 C 13 21.617 0.300 . 2 . . . . 20 VAL CG1 . 11343 1 185 . 1 1 20 20 VAL CG2 C 13 20.541 0.300 . 2 . . . . 20 VAL CG2 . 11343 1 186 . 1 1 20 20 VAL N N 15 117.095 0.300 . 1 . . . . 20 VAL N . 11343 1 187 . 1 1 21 21 VAL H H 1 8.105 0.030 . 1 . . . . 21 VAL H . 11343 1 188 . 1 1 21 21 VAL HA H 1 4.161 0.030 . 1 . . . . 21 VAL HA . 11343 1 189 . 1 1 21 21 VAL HB H 1 2.176 0.030 . 1 . . . . 21 VAL HB . 11343 1 190 . 1 1 21 21 VAL HG11 H 1 1.045 0.030 . 1 . . . . 21 VAL HG1 . 11343 1 191 . 1 1 21 21 VAL HG12 H 1 1.045 0.030 . 1 . . . . 21 VAL HG1 . 11343 1 192 . 1 1 21 21 VAL HG13 H 1 1.045 0.030 . 1 . . . . 21 VAL HG1 . 11343 1 193 . 1 1 21 21 VAL HG21 H 1 1.040 0.030 . 1 . . . . 21 VAL HG2 . 11343 1 194 . 1 1 21 21 VAL HG22 H 1 1.040 0.030 . 1 . . . . 21 VAL HG2 . 11343 1 195 . 1 1 21 21 VAL HG23 H 1 1.040 0.030 . 1 . . . . 21 VAL HG2 . 11343 1 196 . 1 1 21 21 VAL C C 13 175.745 0.300 . 1 . . . . 21 VAL C . 11343 1 197 . 1 1 21 21 VAL CA C 13 62.603 0.300 . 1 . . . . 21 VAL CA . 11343 1 198 . 1 1 21 21 VAL CB C 13 32.199 0.300 . 1 . . . . 21 VAL CB . 11343 1 199 . 1 1 21 21 VAL CG1 C 13 20.889 0.300 . 2 . . . . 21 VAL CG1 . 11343 1 200 . 1 1 21 21 VAL CG2 C 13 21.473 0.300 . 2 . . . . 21 VAL CG2 . 11343 1 201 . 1 1 21 21 VAL N N 15 121.552 0.300 . 1 . . . . 21 VAL N . 11343 1 202 . 1 1 22 22 ALA H H 1 8.499 0.030 . 1 . . . . 22 ALA H . 11343 1 203 . 1 1 22 22 ALA HA H 1 4.660 0.030 . 1 . . . . 22 ALA HA . 11343 1 204 . 1 1 22 22 ALA HB1 H 1 1.283 0.030 . 1 . . . . 22 ALA HB . 11343 1 205 . 1 1 22 22 ALA HB2 H 1 1.283 0.030 . 1 . . . . 22 ALA HB . 11343 1 206 . 1 1 22 22 ALA HB3 H 1 1.283 0.030 . 1 . . . . 22 ALA HB . 11343 1 207 . 1 1 22 22 ALA C C 13 176.190 0.300 . 1 . . . . 22 ALA C . 11343 1 208 . 1 1 22 22 ALA CA C 13 51.502 0.300 . 1 . . . . 22 ALA CA . 11343 1 209 . 1 1 22 22 ALA CB C 13 20.900 0.300 . 1 . . . . 22 ALA CB . 11343 1 210 . 1 1 22 22 ALA N N 15 128.665 0.300 . 1 . . . . 22 ALA N . 11343 1 211 . 1 1 23 23 HIS H H 1 9.046 0.030 . 1 . . . . 23 HIS H . 11343 1 212 . 1 1 23 23 HIS HA H 1 4.513 0.030 . 1 . . . . 23 HIS HA . 11343 1 213 . 1 1 23 23 HIS HB2 H 1 2.480 0.030 . 2 . . . . 23 HIS HB2 . 11343 1 214 . 1 1 23 23 HIS HB3 H 1 2.653 0.030 . 2 . . . . 23 HIS HB3 . 11343 1 215 . 1 1 23 23 HIS HD2 H 1 5.762 0.030 . 1 . . . . 23 HIS HD2 . 11343 1 216 . 1 1 23 23 HIS HE1 H 1 7.476 0.030 . 1 . . . . 23 HIS HE1 . 11343 1 217 . 1 1 23 23 HIS C C 13 172.982 0.300 . 1 . . . . 23 HIS C . 11343 1 218 . 1 1 23 23 HIS CA C 13 56.256 0.300 . 1 . . . . 23 HIS CA . 11343 1 219 . 1 1 23 23 HIS CB C 13 33.752 0.300 . 1 . . . . 23 HIS CB . 11343 1 220 . 1 1 23 23 HIS CD2 C 13 117.544 0.300 . 1 . . . . 23 HIS CD2 . 11343 1 221 . 1 1 23 23 HIS CE1 C 13 138.648 0.300 . 1 . . . . 23 HIS CE1 . 11343 1 222 . 1 1 23 23 HIS N N 15 121.310 0.300 . 1 . . . . 23 HIS N . 11343 1 223 . 1 1 24 24 VAL H H 1 7.529 0.030 . 1 . . . . 24 VAL H . 11343 1 224 . 1 1 24 24 VAL HA H 1 4.158 0.030 . 1 . . . . 24 VAL HA . 11343 1 225 . 1 1 24 24 VAL HB H 1 1.693 0.030 . 1 . . . . 24 VAL HB . 11343 1 226 . 1 1 24 24 VAL HG11 H 1 0.785 0.030 . 1 . . . . 24 VAL HG1 . 11343 1 227 . 1 1 24 24 VAL HG12 H 1 0.785 0.030 . 1 . . . . 24 VAL HG1 . 11343 1 228 . 1 1 24 24 VAL HG13 H 1 0.785 0.030 . 1 . . . . 24 VAL HG1 . 11343 1 229 . 1 1 24 24 VAL HG21 H 1 0.755 0.030 . 1 . . . . 24 VAL HG2 . 11343 1 230 . 1 1 24 24 VAL HG22 H 1 0.755 0.030 . 1 . . . . 24 VAL HG2 . 11343 1 231 . 1 1 24 24 VAL HG23 H 1 0.755 0.030 . 1 . . . . 24 VAL HG2 . 11343 1 232 . 1 1 24 24 VAL C C 13 175.820 0.300 . 1 . . . . 24 VAL C . 11343 1 233 . 1 1 24 24 VAL CA C 13 61.016 0.300 . 1 . . . . 24 VAL CA . 11343 1 234 . 1 1 24 24 VAL CB C 13 32.017 0.300 . 1 . . . . 24 VAL CB . 11343 1 235 . 1 1 24 24 VAL CG1 C 13 20.624 0.300 . 2 . . . . 24 VAL CG1 . 11343 1 236 . 1 1 24 24 VAL CG2 C 13 20.631 0.300 . 2 . . . . 24 VAL CG2 . 11343 1 237 . 1 1 24 24 VAL N N 15 126.808 0.300 . 1 . . . . 24 VAL N . 11343 1 238 . 1 1 25 25 LEU H H 1 8.403 0.030 . 1 . . . . 25 LEU H . 11343 1 239 . 1 1 25 25 LEU HA H 1 4.449 0.030 . 1 . . . . 25 LEU HA . 11343 1 240 . 1 1 25 25 LEU HB2 H 1 1.915 0.030 . 2 . . . . 25 LEU HB2 . 11343 1 241 . 1 1 25 25 LEU HB3 H 1 2.369 0.030 . 2 . . . . 25 LEU HB3 . 11343 1 242 . 1 1 25 25 LEU HD11 H 1 1.093 0.030 . 1 . . . . 25 LEU HD1 . 11343 1 243 . 1 1 25 25 LEU HD12 H 1 1.093 0.030 . 1 . . . . 25 LEU HD1 . 11343 1 244 . 1 1 25 25 LEU HD13 H 1 1.093 0.030 . 1 . . . . 25 LEU HD1 . 11343 1 245 . 1 1 25 25 LEU HD21 H 1 1.134 0.030 . 1 . . . . 25 LEU HD2 . 11343 1 246 . 1 1 25 25 LEU HD22 H 1 1.134 0.030 . 1 . . . . 25 LEU HD2 . 11343 1 247 . 1 1 25 25 LEU HD23 H 1 1.134 0.030 . 1 . . . . 25 LEU HD2 . 11343 1 248 . 1 1 25 25 LEU HG H 1 1.748 0.030 . 1 . . . . 25 LEU HG . 11343 1 249 . 1 1 25 25 LEU C C 13 177.840 0.300 . 1 . . . . 25 LEU C . 11343 1 250 . 1 1 25 25 LEU CA C 13 54.655 0.300 . 1 . . . . 25 LEU CA . 11343 1 251 . 1 1 25 25 LEU CB C 13 43.903 0.300 . 1 . . . . 25 LEU CB . 11343 1 252 . 1 1 25 25 LEU CD1 C 13 26.194 0.300 . 2 . . . . 25 LEU CD1 . 11343 1 253 . 1 1 25 25 LEU CD2 C 13 23.592 0.300 . 2 . . . . 25 LEU CD2 . 11343 1 254 . 1 1 25 25 LEU CG C 13 28.300 0.300 . 1 . . . . 25 LEU CG . 11343 1 255 . 1 1 25 25 LEU N N 15 127.526 0.300 . 1 . . . . 25 LEU N . 11343 1 256 . 1 1 26 26 PRO HA H 1 4.297 0.030 . 1 . . . . 26 PRO HA . 11343 1 257 . 1 1 26 26 PRO HB2 H 1 1.970 0.030 . 2 . . . . 26 PRO HB2 . 11343 1 258 . 1 1 26 26 PRO HB3 H 1 2.440 0.030 . 2 . . . . 26 PRO HB3 . 11343 1 259 . 1 1 26 26 PRO HD2 H 1 3.889 0.030 . 2 . . . . 26 PRO HD2 . 11343 1 260 . 1 1 26 26 PRO HD3 H 1 4.027 0.030 . 2 . . . . 26 PRO HD3 . 11343 1 261 . 1 1 26 26 PRO HG2 H 1 2.089 0.030 . 2 . . . . 26 PRO HG2 . 11343 1 262 . 1 1 26 26 PRO HG3 H 1 2.208 0.030 . 2 . . . . 26 PRO HG3 . 11343 1 263 . 1 1 26 26 PRO C C 13 176.511 0.300 . 1 . . . . 26 PRO C . 11343 1 264 . 1 1 26 26 PRO CA C 13 65.546 0.300 . 1 . . . . 26 PRO CA . 11343 1 265 . 1 1 26 26 PRO CB C 13 31.660 0.300 . 1 . . . . 26 PRO CB . 11343 1 266 . 1 1 26 26 PRO CD C 13 50.590 0.300 . 1 . . . . 26 PRO CD . 11343 1 267 . 1 1 26 26 PRO CG C 13 27.989 0.300 . 1 . . . . 26 PRO CG . 11343 1 268 . 1 1 27 27 CYS H H 1 7.281 0.030 . 1 . . . . 27 CYS H . 11343 1 269 . 1 1 27 27 CYS HA H 1 4.416 0.030 . 1 . . . . 27 CYS HA . 11343 1 270 . 1 1 27 27 CYS HB2 H 1 2.821 0.030 . 2 . . . . 27 CYS HB2 . 11343 1 271 . 1 1 27 27 CYS HB3 H 1 2.924 0.030 . 2 . . . . 27 CYS HB3 . 11343 1 272 . 1 1 27 27 CYS C C 13 176.022 0.300 . 1 . . . . 27 CYS C . 11343 1 273 . 1 1 27 27 CYS CA C 13 57.105 0.300 . 1 . . . . 27 CYS CA . 11343 1 274 . 1 1 27 27 CYS CB C 13 31.789 0.300 . 1 . . . . 27 CYS CB . 11343 1 275 . 1 1 27 27 CYS N N 15 111.426 0.300 . 1 . . . . 27 CYS N . 11343 1 276 . 1 1 28 28 GLY H H 1 8.235 0.030 . 1 . . . . 28 GLY H . 11343 1 277 . 1 1 28 28 GLY HA2 H 1 3.333 0.030 . 2 . . . . 28 GLY HA2 . 11343 1 278 . 1 1 28 28 GLY HA3 H 1 4.111 0.030 . 2 . . . . 28 GLY HA3 . 11343 1 279 . 1 1 28 28 GLY C C 13 173.933 0.300 . 1 . . . . 28 GLY C . 11343 1 280 . 1 1 28 28 GLY CA C 13 44.755 0.300 . 1 . . . . 28 GLY CA . 11343 1 281 . 1 1 28 28 GLY N N 15 111.442 0.300 . 1 . . . . 28 GLY N . 11343 1 282 . 1 1 29 29 HIS H H 1 8.018 0.030 . 1 . . . . 29 HIS H . 11343 1 283 . 1 1 29 29 HIS HA H 1 4.624 0.030 . 1 . . . . 29 HIS HA . 11343 1 284 . 1 1 29 29 HIS HB2 H 1 2.907 0.030 . 2 . . . . 29 HIS HB2 . 11343 1 285 . 1 1 29 29 HIS HB3 H 1 3.295 0.030 . 2 . . . . 29 HIS HB3 . 11343 1 286 . 1 1 29 29 HIS HD2 H 1 7.308 0.030 . 1 . . . . 29 HIS HD2 . 11343 1 287 . 1 1 29 29 HIS HE1 H 1 7.802 0.030 . 1 . . . . 29 HIS HE1 . 11343 1 288 . 1 1 29 29 HIS C C 13 173.092 0.300 . 1 . . . . 29 HIS C . 11343 1 289 . 1 1 29 29 HIS CA C 13 59.618 0.300 . 1 . . . . 29 HIS CA . 11343 1 290 . 1 1 29 29 HIS CB C 13 30.960 0.300 . 1 . . . . 29 HIS CB . 11343 1 291 . 1 1 29 29 HIS CD2 C 13 118.978 0.300 . 1 . . . . 29 HIS CD2 . 11343 1 292 . 1 1 29 29 HIS CE1 C 13 137.874 0.300 . 1 . . . . 29 HIS CE1 . 11343 1 293 . 1 1 29 29 HIS N N 15 121.889 0.300 . 1 . . . . 29 HIS N . 11343 1 294 . 1 1 30 30 LEU H H 1 8.174 0.030 . 1 . . . . 30 LEU H . 11343 1 295 . 1 1 30 30 LEU HA H 1 5.004 0.030 . 1 . . . . 30 LEU HA . 11343 1 296 . 1 1 30 30 LEU HB2 H 1 1.295 0.030 . 2 . . . . 30 LEU HB2 . 11343 1 297 . 1 1 30 30 LEU HB3 H 1 1.548 0.030 . 2 . . . . 30 LEU HB3 . 11343 1 298 . 1 1 30 30 LEU HD11 H 1 0.735 0.030 . 1 . . . . 30 LEU HD1 . 11343 1 299 . 1 1 30 30 LEU HD12 H 1 0.735 0.030 . 1 . . . . 30 LEU HD1 . 11343 1 300 . 1 1 30 30 LEU HD13 H 1 0.735 0.030 . 1 . . . . 30 LEU HD1 . 11343 1 301 . 1 1 30 30 LEU HD21 H 1 0.837 0.030 . 1 . . . . 30 LEU HD2 . 11343 1 302 . 1 1 30 30 LEU HD22 H 1 0.837 0.030 . 1 . . . . 30 LEU HD2 . 11343 1 303 . 1 1 30 30 LEU HD23 H 1 0.837 0.030 . 1 . . . . 30 LEU HD2 . 11343 1 304 . 1 1 30 30 LEU HG H 1 1.558 0.030 . 1 . . . . 30 LEU HG . 11343 1 305 . 1 1 30 30 LEU C C 13 175.619 0.300 . 1 . . . . 30 LEU C . 11343 1 306 . 1 1 30 30 LEU CA C 13 54.679 0.300 . 1 . . . . 30 LEU CA . 11343 1 307 . 1 1 30 30 LEU CB C 13 45.129 0.300 . 1 . . . . 30 LEU CB . 11343 1 308 . 1 1 30 30 LEU CD1 C 13 25.610 0.300 . 2 . . . . 30 LEU CD1 . 11343 1 309 . 1 1 30 30 LEU CD2 C 13 25.200 0.300 . 2 . . . . 30 LEU CD2 . 11343 1 310 . 1 1 30 30 LEU CG C 13 27.998 0.300 . 1 . . . . 30 LEU CG . 11343 1 311 . 1 1 30 30 LEU N N 15 121.119 0.300 . 1 . . . . 30 LEU N . 11343 1 312 . 1 1 31 31 LEU H H 1 8.518 0.030 . 1 . . . . 31 LEU H . 11343 1 313 . 1 1 31 31 LEU HA H 1 5.158 0.030 . 1 . . . . 31 LEU HA . 11343 1 314 . 1 1 31 31 LEU HB2 H 1 1.624 0.030 . 2 . . . . 31 LEU HB2 . 11343 1 315 . 1 1 31 31 LEU HB3 H 1 1.916 0.030 . 2 . . . . 31 LEU HB3 . 11343 1 316 . 1 1 31 31 LEU HD11 H 1 1.027 0.030 . 1 . . . . 31 LEU HD1 . 11343 1 317 . 1 1 31 31 LEU HD12 H 1 1.027 0.030 . 1 . . . . 31 LEU HD1 . 11343 1 318 . 1 1 31 31 LEU HD13 H 1 1.027 0.030 . 1 . . . . 31 LEU HD1 . 11343 1 319 . 1 1 31 31 LEU HD21 H 1 1.082 0.030 . 1 . . . . 31 LEU HD2 . 11343 1 320 . 1 1 31 31 LEU HD22 H 1 1.082 0.030 . 1 . . . . 31 LEU HD2 . 11343 1 321 . 1 1 31 31 LEU HD23 H 1 1.082 0.030 . 1 . . . . 31 LEU HD2 . 11343 1 322 . 1 1 31 31 LEU HG H 1 1.898 0.030 . 1 . . . . 31 LEU HG . 11343 1 323 . 1 1 31 31 LEU C C 13 178.009 0.300 . 1 . . . . 31 LEU C . 11343 1 324 . 1 1 31 31 LEU CA C 13 53.451 0.300 . 1 . . . . 31 LEU CA . 11343 1 325 . 1 1 31 31 LEU CB C 13 47.146 0.300 . 1 . . . . 31 LEU CB . 11343 1 326 . 1 1 31 31 LEU CD1 C 13 26.480 0.300 . 2 . . . . 31 LEU CD1 . 11343 1 327 . 1 1 31 31 LEU CD2 C 13 26.074 0.300 . 2 . . . . 31 LEU CD2 . 11343 1 328 . 1 1 31 31 LEU CG C 13 28.707 0.300 . 1 . . . . 31 LEU CG . 11343 1 329 . 1 1 31 31 LEU N N 15 119.068 0.300 . 1 . . . . 31 LEU N . 11343 1 330 . 1 1 32 32 HIS H H 1 7.667 0.030 . 1 . . . . 32 HIS H . 11343 1 331 . 1 1 32 32 HIS HA H 1 4.653 0.030 . 1 . . . . 32 HIS HA . 11343 1 332 . 1 1 32 32 HIS HB2 H 1 3.659 0.030 . 2 . . . . 32 HIS HB2 . 11343 1 333 . 1 1 32 32 HIS HB3 H 1 3.901 0.030 . 2 . . . . 32 HIS HB3 . 11343 1 334 . 1 1 32 32 HIS HD2 H 1 7.249 0.030 . 1 . . . . 32 HIS HD2 . 11343 1 335 . 1 1 32 32 HIS HE1 H 1 7.413 0.030 . 1 . . . . 32 HIS HE1 . 11343 1 336 . 1 1 32 32 HIS C C 13 177.062 0.300 . 1 . . . . 32 HIS C . 11343 1 337 . 1 1 32 32 HIS CA C 13 59.961 0.300 . 1 . . . . 32 HIS CA . 11343 1 338 . 1 1 32 32 HIS CB C 13 31.243 0.300 . 1 . . . . 32 HIS CB . 11343 1 339 . 1 1 32 32 HIS CD2 C 13 117.641 0.300 . 1 . . . . 32 HIS CD2 . 11343 1 340 . 1 1 32 32 HIS CE1 C 13 139.356 0.300 . 1 . . . . 32 HIS CE1 . 11343 1 341 . 1 1 32 32 HIS N N 15 117.431 0.300 . 1 . . . . 32 HIS N . 11343 1 342 . 1 1 33 33 ARG H H 1 9.536 0.030 . 1 . . . . 33 ARG H . 11343 1 343 . 1 1 33 33 ARG HA H 1 4.054 0.030 . 1 . . . . 33 ARG HA . 11343 1 344 . 1 1 33 33 ARG HB2 H 1 2.045 0.030 . 2 . . . . 33 ARG HB2 . 11343 1 345 . 1 1 33 33 ARG HB3 H 1 1.944 0.030 . 2 . . . . 33 ARG HB3 . 11343 1 346 . 1 1 33 33 ARG HD2 H 1 3.270 0.030 . 1 . . . . 33 ARG HD2 . 11343 1 347 . 1 1 33 33 ARG HD3 H 1 3.270 0.030 . 1 . . . . 33 ARG HD3 . 11343 1 348 . 1 1 33 33 ARG HG2 H 1 1.821 0.030 . 2 . . . . 33 ARG HG2 . 11343 1 349 . 1 1 33 33 ARG HG3 H 1 1.733 0.030 . 2 . . . . 33 ARG HG3 . 11343 1 350 . 1 1 33 33 ARG C C 13 178.295 0.300 . 1 . . . . 33 ARG C . 11343 1 351 . 1 1 33 33 ARG CA C 13 60.707 0.300 . 1 . . . . 33 ARG CA . 11343 1 352 . 1 1 33 33 ARG CB C 13 29.341 0.300 . 1 . . . . 33 ARG CB . 11343 1 353 . 1 1 33 33 ARG CD C 13 43.045 0.300 . 1 . . . . 33 ARG CD . 11343 1 354 . 1 1 33 33 ARG CG C 13 27.206 0.300 . 1 . . . . 33 ARG CG . 11343 1 355 . 1 1 33 33 ARG N N 15 125.068 0.300 . 1 . . . . 33 ARG N . 11343 1 356 . 1 1 34 34 THR H H 1 8.421 0.030 . 1 . . . . 34 THR H . 11343 1 357 . 1 1 34 34 THR HA H 1 4.083 0.030 . 1 . . . . 34 THR HA . 11343 1 358 . 1 1 34 34 THR HB H 1 4.247 0.030 . 1 . . . . 34 THR HB . 11343 1 359 . 1 1 34 34 THR HG21 H 1 1.330 0.030 . 1 . . . . 34 THR HG2 . 11343 1 360 . 1 1 34 34 THR HG22 H 1 1.330 0.030 . 1 . . . . 34 THR HG2 . 11343 1 361 . 1 1 34 34 THR HG23 H 1 1.330 0.030 . 1 . . . . 34 THR HG2 . 11343 1 362 . 1 1 34 34 THR C C 13 177.356 0.300 . 1 . . . . 34 THR C . 11343 1 363 . 1 1 34 34 THR CA C 13 65.124 0.300 . 1 . . . . 34 THR CA . 11343 1 364 . 1 1 34 34 THR CB C 13 67.692 0.300 . 1 . . . . 34 THR CB . 11343 1 365 . 1 1 34 34 THR CG2 C 13 22.854 0.300 . 1 . . . . 34 THR CG2 . 11343 1 366 . 1 1 34 34 THR N N 15 109.952 0.300 . 1 . . . . 34 THR N . 11343 1 367 . 1 1 35 35 CYS H H 1 6.832 0.030 . 1 . . . . 35 CYS H . 11343 1 368 . 1 1 35 35 CYS HA H 1 4.053 0.030 . 1 . . . . 35 CYS HA . 11343 1 369 . 1 1 35 35 CYS HB2 H 1 2.926 0.030 . 2 . . . . 35 CYS HB2 . 11343 1 370 . 1 1 35 35 CYS HB3 H 1 3.101 0.030 . 2 . . . . 35 CYS HB3 . 11343 1 371 . 1 1 35 35 CYS C C 13 176.673 0.300 . 1 . . . . 35 CYS C . 11343 1 372 . 1 1 35 35 CYS CA C 13 63.433 0.300 . 1 . . . . 35 CYS CA . 11343 1 373 . 1 1 35 35 CYS CB C 13 28.701 0.300 . 1 . . . . 35 CYS CB . 11343 1 374 . 1 1 35 35 CYS N N 15 122.750 0.300 . 1 . . . . 35 CYS N . 11343 1 375 . 1 1 36 36 TYR H H 1 8.450 0.030 . 1 . . . . 36 TYR H . 11343 1 376 . 1 1 36 36 TYR HA H 1 4.189 0.030 . 1 . . . . 36 TYR HA . 11343 1 377 . 1 1 36 36 TYR HB2 H 1 2.897 0.030 . 2 . . . . 36 TYR HB2 . 11343 1 378 . 1 1 36 36 TYR HB3 H 1 3.105 0.030 . 2 . . . . 36 TYR HB3 . 11343 1 379 . 1 1 36 36 TYR HD1 H 1 6.726 0.030 . 1 . . . . 36 TYR HD1 . 11343 1 380 . 1 1 36 36 TYR HD2 H 1 6.726 0.030 . 1 . . . . 36 TYR HD2 . 11343 1 381 . 1 1 36 36 TYR HE1 H 1 6.534 0.030 . 1 . . . . 36 TYR HE1 . 11343 1 382 . 1 1 36 36 TYR HE2 H 1 6.534 0.030 . 1 . . . . 36 TYR HE2 . 11343 1 383 . 1 1 36 36 TYR C C 13 176.086 0.300 . 1 . . . . 36 TYR C . 11343 1 384 . 1 1 36 36 TYR CA C 13 60.324 0.300 . 1 . . . . 36 TYR CA . 11343 1 385 . 1 1 36 36 TYR CB C 13 37.653 0.300 . 1 . . . . 36 TYR CB . 11343 1 386 . 1 1 36 36 TYR CD1 C 13 132.483 0.300 . 1 . . . . 36 TYR CD1 . 11343 1 387 . 1 1 36 36 TYR CD2 C 13 132.483 0.300 . 1 . . . . 36 TYR CD2 . 11343 1 388 . 1 1 36 36 TYR CE1 C 13 117.935 0.300 . 1 . . . . 36 TYR CE1 . 11343 1 389 . 1 1 36 36 TYR CE2 C 13 117.935 0.300 . 1 . . . . 36 TYR CE2 . 11343 1 390 . 1 1 36 36 TYR N N 15 119.933 0.300 . 1 . . . . 36 TYR N . 11343 1 391 . 1 1 37 37 GLU H H 1 8.015 0.030 . 1 . . . . 37 GLU H . 11343 1 392 . 1 1 37 37 GLU HA H 1 3.529 0.030 . 1 . . . . 37 GLU HA . 11343 1 393 . 1 1 37 37 GLU HB2 H 1 1.975 0.030 . 2 . . . . 37 GLU HB2 . 11343 1 394 . 1 1 37 37 GLU HB3 H 1 2.149 0.030 . 2 . . . . 37 GLU HB3 . 11343 1 395 . 1 1 37 37 GLU HG2 H 1 2.543 0.030 . 2 . . . . 37 GLU HG2 . 11343 1 396 . 1 1 37 37 GLU HG3 H 1 2.237 0.030 . 2 . . . . 37 GLU HG3 . 11343 1 397 . 1 1 37 37 GLU C C 13 179.650 0.300 . 1 . . . . 37 GLU C . 11343 1 398 . 1 1 37 37 GLU CA C 13 59.606 0.300 . 1 . . . . 37 GLU CA . 11343 1 399 . 1 1 37 37 GLU CB C 13 28.956 0.300 . 1 . . . . 37 GLU CB . 11343 1 400 . 1 1 37 37 GLU CG C 13 36.779 0.300 . 1 . . . . 37 GLU CG . 11343 1 401 . 1 1 37 37 GLU N N 15 117.360 0.300 . 1 . . . . 37 GLU N . 11343 1 402 . 1 1 38 38 GLU H H 1 7.662 0.030 . 1 . . . . 38 GLU H . 11343 1 403 . 1 1 38 38 GLU HA H 1 4.031 0.030 . 1 . . . . 38 GLU HA . 11343 1 404 . 1 1 38 38 GLU HB2 H 1 2.154 0.030 . 1 . . . . 38 GLU HB2 . 11343 1 405 . 1 1 38 38 GLU HB3 H 1 2.154 0.030 . 1 . . . . 38 GLU HB3 . 11343 1 406 . 1 1 38 38 GLU HG2 H 1 2.293 0.030 . 2 . . . . 38 GLU HG2 . 11343 1 407 . 1 1 38 38 GLU HG3 H 1 2.375 0.030 . 2 . . . . 38 GLU HG3 . 11343 1 408 . 1 1 38 38 GLU C C 13 177.833 0.300 . 1 . . . . 38 GLU C . 11343 1 409 . 1 1 38 38 GLU CA C 13 58.950 0.300 . 1 . . . . 38 GLU CA . 11343 1 410 . 1 1 38 38 GLU CB C 13 29.303 0.300 . 1 . . . . 38 GLU CB . 11343 1 411 . 1 1 38 38 GLU CG C 13 35.953 0.300 . 1 . . . . 38 GLU CG . 11343 1 412 . 1 1 38 38 GLU N N 15 119.414 0.300 . 1 . . . . 38 GLU N . 11343 1 413 . 1 1 39 39 MET H H 1 7.955 0.030 . 1 . . . . 39 MET H . 11343 1 414 . 1 1 39 39 MET HA H 1 3.663 0.030 . 1 . . . . 39 MET HA . 11343 1 415 . 1 1 39 39 MET HB2 H 1 1.916 0.030 . 2 . . . . 39 MET HB2 . 11343 1 416 . 1 1 39 39 MET HB3 H 1 2.198 0.030 . 2 . . . . 39 MET HB3 . 11343 1 417 . 1 1 39 39 MET HE1 H 1 2.086 0.030 . 1 . . . . 39 MET HE . 11343 1 418 . 1 1 39 39 MET HE2 H 1 2.086 0.030 . 1 . . . . 39 MET HE . 11343 1 419 . 1 1 39 39 MET HE3 H 1 2.086 0.030 . 1 . . . . 39 MET HE . 11343 1 420 . 1 1 39 39 MET HG2 H 1 2.228 0.030 . 2 . . . . 39 MET HG2 . 11343 1 421 . 1 1 39 39 MET HG3 H 1 1.924 0.030 . 2 . . . . 39 MET HG3 . 11343 1 422 . 1 1 39 39 MET C C 13 178.305 0.300 . 1 . . . . 39 MET C . 11343 1 423 . 1 1 39 39 MET CA C 13 58.371 0.300 . 1 . . . . 39 MET CA . 11343 1 424 . 1 1 39 39 MET CB C 13 32.344 0.300 . 1 . . . . 39 MET CB . 11343 1 425 . 1 1 39 39 MET CE C 13 18.020 0.300 . 1 . . . . 39 MET CE . 11343 1 426 . 1 1 39 39 MET CG C 13 32.673 0.300 . 1 . . . . 39 MET CG . 11343 1 427 . 1 1 39 39 MET N N 15 121.010 0.300 . 1 . . . . 39 MET N . 11343 1 428 . 1 1 40 40 LEU H H 1 8.031 0.030 . 1 . . . . 40 LEU H . 11343 1 429 . 1 1 40 40 LEU HA H 1 3.856 0.030 . 1 . . . . 40 LEU HA . 11343 1 430 . 1 1 40 40 LEU HB2 H 1 1.403 0.030 . 2 . . . . 40 LEU HB2 . 11343 1 431 . 1 1 40 40 LEU HB3 H 1 1.281 0.030 . 2 . . . . 40 LEU HB3 . 11343 1 432 . 1 1 40 40 LEU HD11 H 1 0.567 0.030 . 1 . . . . 40 LEU HD1 . 11343 1 433 . 1 1 40 40 LEU HD12 H 1 0.567 0.030 . 1 . . . . 40 LEU HD1 . 11343 1 434 . 1 1 40 40 LEU HD13 H 1 0.567 0.030 . 1 . . . . 40 LEU HD1 . 11343 1 435 . 1 1 40 40 LEU HD21 H 1 0.666 0.030 . 1 . . . . 40 LEU HD2 . 11343 1 436 . 1 1 40 40 LEU HD22 H 1 0.666 0.030 . 1 . . . . 40 LEU HD2 . 11343 1 437 . 1 1 40 40 LEU HD23 H 1 0.666 0.030 . 1 . . . . 40 LEU HD2 . 11343 1 438 . 1 1 40 40 LEU HG H 1 1.181 0.030 . 1 . . . . 40 LEU HG . 11343 1 439 . 1 1 40 40 LEU C C 13 179.596 0.300 . 1 . . . . 40 LEU C . 11343 1 440 . 1 1 40 40 LEU CA C 13 57.015 0.300 . 1 . . . . 40 LEU CA . 11343 1 441 . 1 1 40 40 LEU CB C 13 41.849 0.300 . 1 . . . . 40 LEU CB . 11343 1 442 . 1 1 40 40 LEU CD1 C 13 24.579 0.300 . 2 . . . . 40 LEU CD1 . 11343 1 443 . 1 1 40 40 LEU CD2 C 13 23.053 0.300 . 2 . . . . 40 LEU CD2 . 11343 1 444 . 1 1 40 40 LEU CG C 13 26.135 0.300 . 1 . . . . 40 LEU CG . 11343 1 445 . 1 1 40 40 LEU N N 15 119.190 0.300 . 1 . . . . 40 LEU N . 11343 1 446 . 1 1 41 41 LYS H H 1 7.570 0.030 . 1 . . . . 41 LYS H . 11343 1 447 . 1 1 41 41 LYS HA H 1 3.945 0.030 . 1 . . . . 41 LYS HA . 11343 1 448 . 1 1 41 41 LYS HB2 H 1 1.883 0.030 . 1 . . . . 41 LYS HB2 . 11343 1 449 . 1 1 41 41 LYS HB3 H 1 1.883 0.030 . 1 . . . . 41 LYS HB3 . 11343 1 450 . 1 1 41 41 LYS HD2 H 1 1.656 0.030 . 1 . . . . 41 LYS HD2 . 11343 1 451 . 1 1 41 41 LYS HD3 H 1 1.656 0.030 . 1 . . . . 41 LYS HD3 . 11343 1 452 . 1 1 41 41 LYS HE2 H 1 2.913 0.030 . 1 . . . . 41 LYS HE2 . 11343 1 453 . 1 1 41 41 LYS HE3 H 1 2.913 0.030 . 1 . . . . 41 LYS HE3 . 11343 1 454 . 1 1 41 41 LYS HG2 H 1 1.359 0.030 . 2 . . . . 41 LYS HG2 . 11343 1 455 . 1 1 41 41 LYS HG3 H 1 1.498 0.030 . 2 . . . . 41 LYS HG3 . 11343 1 456 . 1 1 41 41 LYS C C 13 178.271 0.300 . 1 . . . . 41 LYS C . 11343 1 457 . 1 1 41 41 LYS CA C 13 58.863 0.300 . 1 . . . . 41 LYS CA . 11343 1 458 . 1 1 41 41 LYS CB C 13 32.673 0.300 . 1 . . . . 41 LYS CB . 11343 1 459 . 1 1 41 41 LYS CD C 13 29.238 0.300 . 1 . . . . 41 LYS CD . 11343 1 460 . 1 1 41 41 LYS CE C 13 42.042 0.300 . 1 . . . . 41 LYS CE . 11343 1 461 . 1 1 41 41 LYS CG C 13 24.848 0.300 . 1 . . . . 41 LYS CG . 11343 1 462 . 1 1 41 41 LYS N N 15 119.630 0.300 . 1 . . . . 41 LYS N . 11343 1 463 . 1 1 42 42 GLU H H 1 7.927 0.030 . 1 . . . . 42 GLU H . 11343 1 464 . 1 1 42 42 GLU HA H 1 4.246 0.030 . 1 . . . . 42 GLU HA . 11343 1 465 . 1 1 42 42 GLU HB2 H 1 1.730 0.030 . 2 . . . . 42 GLU HB2 . 11343 1 466 . 1 1 42 42 GLU HB3 H 1 2.092 0.030 . 2 . . . . 42 GLU HB3 . 11343 1 467 . 1 1 42 42 GLU HG2 H 1 2.257 0.030 . 2 . . . . 42 GLU HG2 . 11343 1 468 . 1 1 42 42 GLU HG3 H 1 2.391 0.030 . 2 . . . . 42 GLU HG3 . 11343 1 469 . 1 1 42 42 GLU C C 13 177.758 0.300 . 1 . . . . 42 GLU C . 11343 1 470 . 1 1 42 42 GLU CA C 13 56.804 0.300 . 1 . . . . 42 GLU CA . 11343 1 471 . 1 1 42 42 GLU CB C 13 30.501 0.300 . 1 . . . . 42 GLU CB . 11343 1 472 . 1 1 42 42 GLU CG C 13 36.256 0.300 . 1 . . . . 42 GLU CG . 11343 1 473 . 1 1 42 42 GLU N N 15 116.547 0.300 . 1 . . . . 42 GLU N . 11343 1 474 . 1 1 43 43 GLY H H 1 7.988 0.030 . 1 . . . . 43 GLY H . 11343 1 475 . 1 1 43 43 GLY HA2 H 1 3.764 0.030 . 2 . . . . 43 GLY HA2 . 11343 1 476 . 1 1 43 43 GLY HA3 H 1 4.059 0.030 . 2 . . . . 43 GLY HA3 . 11343 1 477 . 1 1 43 43 GLY C C 13 174.196 0.300 . 1 . . . . 43 GLY C . 11343 1 478 . 1 1 43 43 GLY CA C 13 45.994 0.300 . 1 . . . . 43 GLY CA . 11343 1 479 . 1 1 43 43 GLY N N 15 107.857 0.300 . 1 . . . . 43 GLY N . 11343 1 480 . 1 1 44 44 TYR H H 1 7.270 0.030 . 1 . . . . 44 TYR H . 11343 1 481 . 1 1 44 44 TYR HA H 1 4.726 0.030 . 1 . . . . 44 TYR HA . 11343 1 482 . 1 1 44 44 TYR HB2 H 1 3.113 0.030 . 2 . . . . 44 TYR HB2 . 11343 1 483 . 1 1 44 44 TYR HB3 H 1 3.030 0.030 . 2 . . . . 44 TYR HB3 . 11343 1 484 . 1 1 44 44 TYR HD1 H 1 7.092 0.030 . 1 . . . . 44 TYR HD1 . 11343 1 485 . 1 1 44 44 TYR HD2 H 1 7.092 0.030 . 1 . . . . 44 TYR HD2 . 11343 1 486 . 1 1 44 44 TYR HE1 H 1 6.752 0.030 . 1 . . . . 44 TYR HE1 . 11343 1 487 . 1 1 44 44 TYR HE2 H 1 6.752 0.030 . 1 . . . . 44 TYR HE2 . 11343 1 488 . 1 1 44 44 TYR C C 13 174.700 0.300 . 1 . . . . 44 TYR C . 11343 1 489 . 1 1 44 44 TYR CA C 13 56.163 0.300 . 1 . . . . 44 TYR CA . 11343 1 490 . 1 1 44 44 TYR CB C 13 38.905 0.300 . 1 . . . . 44 TYR CB . 11343 1 491 . 1 1 44 44 TYR CD1 C 13 133.277 0.300 . 1 . . . . 44 TYR CD1 . 11343 1 492 . 1 1 44 44 TYR CD2 C 13 133.277 0.300 . 1 . . . . 44 TYR CD2 . 11343 1 493 . 1 1 44 44 TYR CE1 C 13 118.099 0.300 . 1 . . . . 44 TYR CE1 . 11343 1 494 . 1 1 44 44 TYR CE2 C 13 118.099 0.300 . 1 . . . . 44 TYR CE2 . 11343 1 495 . 1 1 44 44 TYR N N 15 117.758 0.300 . 1 . . . . 44 TYR N . 11343 1 496 . 1 1 45 45 ARG H H 1 8.001 0.030 . 1 . . . . 45 ARG H . 11343 1 497 . 1 1 45 45 ARG HA H 1 4.386 0.030 . 1 . . . . 45 ARG HA . 11343 1 498 . 1 1 45 45 ARG HB2 H 1 1.819 0.030 . 2 . . . . 45 ARG HB2 . 11343 1 499 . 1 1 45 45 ARG HB3 H 1 1.651 0.030 . 2 . . . . 45 ARG HB3 . 11343 1 500 . 1 1 45 45 ARG HD2 H 1 3.173 0.030 . 1 . . . . 45 ARG HD2 . 11343 1 501 . 1 1 45 45 ARG HD3 H 1 3.173 0.030 . 1 . . . . 45 ARG HD3 . 11343 1 502 . 1 1 45 45 ARG HG2 H 1 1.597 0.030 . 1 . . . . 45 ARG HG2 . 11343 1 503 . 1 1 45 45 ARG HG3 H 1 1.597 0.030 . 1 . . . . 45 ARG HG3 . 11343 1 504 . 1 1 45 45 ARG C C 13 174.989 0.300 . 1 . . . . 45 ARG C . 11343 1 505 . 1 1 45 45 ARG CA C 13 54.748 0.300 . 1 . . . . 45 ARG CA . 11343 1 506 . 1 1 45 45 ARG CB C 13 31.937 0.300 . 1 . . . . 45 ARG CB . 11343 1 507 . 1 1 45 45 ARG CD C 13 43.335 0.300 . 1 . . . . 45 ARG CD . 11343 1 508 . 1 1 45 45 ARG CG C 13 27.286 0.300 . 1 . . . . 45 ARG CG . 11343 1 509 . 1 1 45 45 ARG N N 15 120.697 0.300 . 1 . . . . 45 ARG N . 11343 1 510 . 1 1 46 46 CYS H H 1 8.671 0.030 . 1 . . . . 46 CYS H . 11343 1 511 . 1 1 46 46 CYS HA H 1 4.258 0.030 . 1 . . . . 46 CYS HA . 11343 1 512 . 1 1 46 46 CYS HB2 H 1 3.070 0.030 . 2 . . . . 46 CYS HB2 . 11343 1 513 . 1 1 46 46 CYS HB3 H 1 2.964 0.030 . 2 . . . . 46 CYS HB3 . 11343 1 514 . 1 1 46 46 CYS C C 13 176.678 0.300 . 1 . . . . 46 CYS C . 11343 1 515 . 1 1 46 46 CYS CA C 13 57.686 0.300 . 1 . . . . 46 CYS CA . 11343 1 516 . 1 1 46 46 CYS CB C 13 30.728 0.300 . 1 . . . . 46 CYS CB . 11343 1 517 . 1 1 46 46 CYS N N 15 123.482 0.300 . 1 . . . . 46 CYS N . 11343 1 518 . 1 1 47 47 PRO HA H 1 4.452 0.030 . 1 . . . . 47 PRO HA . 11343 1 519 . 1 1 47 47 PRO HB2 H 1 1.861 0.030 . 2 . . . . 47 PRO HB2 . 11343 1 520 . 1 1 47 47 PRO HB3 H 1 2.421 0.030 . 2 . . . . 47 PRO HB3 . 11343 1 521 . 1 1 47 47 PRO HD2 H 1 3.718 0.030 . 2 . . . . 47 PRO HD2 . 11343 1 522 . 1 1 47 47 PRO HD3 H 1 4.180 0.030 . 2 . . . . 47 PRO HD3 . 11343 1 523 . 1 1 47 47 PRO HG2 H 1 2.026 0.030 . 2 . . . . 47 PRO HG2 . 11343 1 524 . 1 1 47 47 PRO HG3 H 1 1.841 0.030 . 2 . . . . 47 PRO HG3 . 11343 1 525 . 1 1 47 47 PRO C C 13 178.105 0.300 . 1 . . . . 47 PRO C . 11343 1 526 . 1 1 47 47 PRO CA C 13 64.276 0.300 . 1 . . . . 47 PRO CA . 11343 1 527 . 1 1 47 47 PRO CB C 13 32.675 0.300 . 1 . . . . 47 PRO CB . 11343 1 528 . 1 1 47 47 PRO CD C 13 51.502 0.300 . 1 . . . . 47 PRO CD . 11343 1 529 . 1 1 47 47 PRO CG C 13 27.720 0.300 . 1 . . . . 47 PRO CG . 11343 1 530 . 1 1 48 48 LEU H H 1 8.368 0.030 . 1 . . . . 48 LEU H . 11343 1 531 . 1 1 48 48 LEU HA H 1 4.237 0.030 . 1 . . . . 48 LEU HA . 11343 1 532 . 1 1 48 48 LEU HB2 H 1 0.796 0.030 . 2 . . . . 48 LEU HB2 . 11343 1 533 . 1 1 48 48 LEU HB3 H 1 0.738 0.030 . 2 . . . . 48 LEU HB3 . 11343 1 534 . 1 1 48 48 LEU HD11 H 1 0.618 0.030 . 1 . . . . 48 LEU HD1 . 11343 1 535 . 1 1 48 48 LEU HD12 H 1 0.618 0.030 . 1 . . . . 48 LEU HD1 . 11343 1 536 . 1 1 48 48 LEU HD13 H 1 0.618 0.030 . 1 . . . . 48 LEU HD1 . 11343 1 537 . 1 1 48 48 LEU HD21 H 1 0.735 0.030 . 1 . . . . 48 LEU HD2 . 11343 1 538 . 1 1 48 48 LEU HD22 H 1 0.735 0.030 . 1 . . . . 48 LEU HD2 . 11343 1 539 . 1 1 48 48 LEU HD23 H 1 0.735 0.030 . 1 . . . . 48 LEU HD2 . 11343 1 540 . 1 1 48 48 LEU HG H 1 1.250 0.030 . 1 . . . . 48 LEU HG . 11343 1 541 . 1 1 48 48 LEU C C 13 178.889 0.300 . 1 . . . . 48 LEU C . 11343 1 542 . 1 1 48 48 LEU CA C 13 56.117 0.300 . 1 . . . . 48 LEU CA . 11343 1 543 . 1 1 48 48 LEU CB C 13 41.405 0.300 . 1 . . . . 48 LEU CB . 11343 1 544 . 1 1 48 48 LEU CD1 C 13 25.207 0.300 . 2 . . . . 48 LEU CD1 . 11343 1 545 . 1 1 48 48 LEU CD2 C 13 22.425 0.300 . 2 . . . . 48 LEU CD2 . 11343 1 546 . 1 1 48 48 LEU CG C 13 27.271 0.300 . 1 . . . . 48 LEU CG . 11343 1 547 . 1 1 48 48 LEU N N 15 120.091 0.300 . 1 . . . . 48 LEU N . 11343 1 548 . 1 1 49 49 CYS H H 1 8.057 0.030 . 1 . . . . 49 CYS H . 11343 1 549 . 1 1 49 49 CYS HA H 1 4.384 0.030 . 1 . . . . 49 CYS HA . 11343 1 550 . 1 1 49 49 CYS HB2 H 1 2.866 0.030 . 2 . . . . 49 CYS HB2 . 11343 1 551 . 1 1 49 49 CYS HB3 H 1 3.065 0.030 . 2 . . . . 49 CYS HB3 . 11343 1 552 . 1 1 49 49 CYS C C 13 176.384 0.300 . 1 . . . . 49 CYS C . 11343 1 553 . 1 1 49 49 CYS CA C 13 62.988 0.300 . 1 . . . . 49 CYS CA . 11343 1 554 . 1 1 49 49 CYS CB C 13 30.380 0.300 . 1 . . . . 49 CYS CB . 11343 1 555 . 1 1 49 49 CYS N N 15 122.457 0.300 . 1 . . . . 49 CYS N . 11343 1 556 . 1 1 50 50 SER H H 1 7.904 0.030 . 1 . . . . 50 SER H . 11343 1 557 . 1 1 50 50 SER HA H 1 4.439 0.030 . 1 . . . . 50 SER HA . 11343 1 558 . 1 1 50 50 SER HB2 H 1 3.870 0.030 . 1 . . . . 50 SER HB2 . 11343 1 559 . 1 1 50 50 SER HB3 H 1 3.870 0.030 . 1 . . . . 50 SER HB3 . 11343 1 560 . 1 1 50 50 SER C C 13 174.477 0.300 . 1 . . . . 50 SER C . 11343 1 561 . 1 1 50 50 SER CA C 13 58.972 0.300 . 1 . . . . 50 SER CA . 11343 1 562 . 1 1 50 50 SER CB C 13 63.786 0.300 . 1 . . . . 50 SER CB . 11343 1 563 . 1 1 50 50 SER N N 15 114.280 0.300 . 1 . . . . 50 SER N . 11343 1 564 . 1 1 51 51 GLY H H 1 8.002 0.030 . 1 . . . . 51 GLY H . 11343 1 565 . 1 1 51 51 GLY HA2 H 1 4.064 0.030 . 2 . . . . 51 GLY HA2 . 11343 1 566 . 1 1 51 51 GLY HA3 H 1 4.182 0.030 . 2 . . . . 51 GLY HA3 . 11343 1 567 . 1 1 51 51 GLY C C 13 171.724 0.300 . 1 . . . . 51 GLY C . 11343 1 568 . 1 1 51 51 GLY CA C 13 44.769 0.300 . 1 . . . . 51 GLY CA . 11343 1 569 . 1 1 51 51 GLY N N 15 110.349 0.300 . 1 . . . . 51 GLY N . 11343 1 570 . 1 1 52 52 PRO HA H 1 4.476 0.030 . 1 . . . . 52 PRO HA . 11343 1 571 . 1 1 52 52 PRO HB2 H 1 1.997 0.030 . 2 . . . . 52 PRO HB2 . 11343 1 572 . 1 1 52 52 PRO HB3 H 1 2.297 0.030 . 2 . . . . 52 PRO HB3 . 11343 1 573 . 1 1 52 52 PRO HD2 H 1 3.630 0.030 . 1 . . . . 52 PRO HD2 . 11343 1 574 . 1 1 52 52 PRO HD3 H 1 3.630 0.030 . 1 . . . . 52 PRO HD3 . 11343 1 575 . 1 1 52 52 PRO HG2 H 1 2.014 0.030 . 1 . . . . 52 PRO HG2 . 11343 1 576 . 1 1 52 52 PRO HG3 H 1 2.014 0.030 . 1 . . . . 52 PRO HG3 . 11343 1 577 . 1 1 52 52 PRO C C 13 177.460 0.300 . 1 . . . . 52 PRO C . 11343 1 578 . 1 1 52 52 PRO CA C 13 63.248 0.300 . 1 . . . . 52 PRO CA . 11343 1 579 . 1 1 52 52 PRO CB C 13 32.213 0.300 . 1 . . . . 52 PRO CB . 11343 1 580 . 1 1 52 52 PRO CD C 13 49.797 0.300 . 1 . . . . 52 PRO CD . 11343 1 581 . 1 1 52 52 PRO CG C 13 27.092 0.300 . 1 . . . . 52 PRO CG . 11343 1 582 . 1 1 53 53 SER H H 1 8.541 0.030 . 1 . . . . 53 SER H . 11343 1 583 . 1 1 53 53 SER HA H 1 4.490 0.030 . 1 . . . . 53 SER HA . 11343 1 584 . 1 1 53 53 SER HB2 H 1 3.896 0.030 . 1 . . . . 53 SER HB2 . 11343 1 585 . 1 1 53 53 SER HB3 H 1 3.896 0.030 . 1 . . . . 53 SER HB3 . 11343 1 586 . 1 1 53 53 SER C C 13 174.681 0.300 . 1 . . . . 53 SER C . 11343 1 587 . 1 1 53 53 SER CA C 13 58.411 0.300 . 1 . . . . 53 SER CA . 11343 1 588 . 1 1 53 53 SER CB C 13 63.632 0.300 . 1 . . . . 53 SER CB . 11343 1 589 . 1 1 53 53 SER N N 15 116.214 0.300 . 1 . . . . 53 SER N . 11343 1 590 . 1 1 54 54 SER H H 1 8.289 0.030 . 1 . . . . 54 SER H . 11343 1 591 . 1 1 54 54 SER HA H 1 4.495 0.030 . 1 . . . . 54 SER HA . 11343 1 592 . 1 1 54 54 SER HB2 H 1 3.883 0.030 . 1 . . . . 54 SER HB2 . 11343 1 593 . 1 1 54 54 SER HB3 H 1 3.883 0.030 . 1 . . . . 54 SER HB3 . 11343 1 594 . 1 1 54 54 SER C C 13 173.918 0.300 . 1 . . . . 54 SER C . 11343 1 595 . 1 1 54 54 SER CA C 13 58.361 0.300 . 1 . . . . 54 SER CA . 11343 1 596 . 1 1 54 54 SER CB C 13 64.004 0.300 . 1 . . . . 54 SER CB . 11343 1 597 . 1 1 54 54 SER N N 15 117.689 0.300 . 1 . . . . 54 SER N . 11343 1 598 . 1 1 55 55 GLY H H 1 8.066 0.030 . 1 . . . . 55 GLY H . 11343 1 599 . 1 1 55 55 GLY HA2 H 1 3.767 0.030 . 1 . . . . 55 GLY HA2 . 11343 1 600 . 1 1 55 55 GLY HA3 H 1 3.767 0.030 . 1 . . . . 55 GLY HA3 . 11343 1 601 . 1 1 55 55 GLY C C 13 179.009 0.300 . 1 . . . . 55 GLY C . 11343 1 602 . 1 1 55 55 GLY CA C 13 46.215 0.300 . 1 . . . . 55 GLY CA . 11343 1 603 . 1 1 55 55 GLY N N 15 116.834 0.300 . 1 . . . . 55 GLY N . 11343 1 stop_ save_