data_11289 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11289 _Entry.Title ; Solution structure of the LIM domain of human Leupaxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 M. Yoneyama . . . 11289 2 N. Tochio . . . 11289 3 S. Koshiba . . . 11289 4 M. Inoue . . . 11289 5 T. Kigawa . . . 11289 6 S. Yokoyama . . . 11289 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)' . 11289 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11289 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 11289 '15N chemical shifts' 72 11289 '1H chemical shifts' 463 11289 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 . . 2011-08-18 2010-08-09 original author . 11289 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X3H 'BMRB Entry Tracking System' 11289 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11289 _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 LIM domain of human Leupaxin' _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 M. Yoneyama . . . 11289 1 2 N. Tochio . . . 11289 1 3 S. Koshiba . . . 11289 1 4 M. Inoue . . . 11289 1 5 T. Kigawa . . . 11289 1 6 S. Yokoyama . . . 11289 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11289 _Assembly.ID 1 _Assembly.Name Leupaxin _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 'LIM domain' 1 $entity_1 A . yes native no no . . . 11289 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11289 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11289 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 'LIM domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11289 1 2 coordination single . 1 'LIM domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11289 1 3 coordination single . 1 'LIM domain' 1 HIS 38 38 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 38 HIS ND1 . . . . ZN 11289 1 4 coordination single . 1 'LIM domain' 1 CYS 41 41 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11289 1 5 coordination single . 1 'LIM domain' 1 CYS 44 44 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 44 CYS SG . . . . ZN 11289 1 6 coordination single . 1 'LIM domain' 1 CYS 47 47 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 47 CYS SG . . . . ZN 11289 1 7 coordination single . 1 'LIM domain' 1 CYS 65 65 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 65 CYS SG . . . . ZN 11289 1 8 coordination single . 1 'LIM domain' 1 HIS 68 68 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 68 HIS ND1 . . . . ZN 11289 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 65 65 HG . 65 CYS HG 11289 1 . . 1 1 HIS 68 68 HD1 . 68 HIS HD1 11289 1 . . 1 1 CYS 44 44 HG . 44 CYS HG 11289 1 . . 1 1 CYS 47 47 HG . 47 CYS HG 11289 1 . . 1 1 HIS 38 38 HD1 . 38 HIS HD1 11289 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11289 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11289 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11289 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 1x3h . . . . . . 11289 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11289 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LIM 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 ; GSSGSSGKDFLAMFSPKCGG CNRPVLENYLSAMDTVWHPE CFVCGDCFTSFSTGSFFELD GRPFCELHYHHRRGSGPSSG ; _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 80 _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 2014-05-12 loop_ _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 no PDB 1X3H . "Solution Structure Of The Lim Domain Of Human Leupaxin" . . . . . 100.00 80 100.00 100.00 2.33e-50 . . . . 11289 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LIM domain' . 11289 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 . 11289 1 2 . SER . 11289 1 3 . SER . 11289 1 4 . GLY . 11289 1 5 . SER . 11289 1 6 . SER . 11289 1 7 . GLY . 11289 1 8 . LYS . 11289 1 9 . ASP . 11289 1 10 . PHE . 11289 1 11 . LEU . 11289 1 12 . ALA . 11289 1 13 . MET . 11289 1 14 . PHE . 11289 1 15 . SER . 11289 1 16 . PRO . 11289 1 17 . LYS . 11289 1 18 . CYS . 11289 1 19 . GLY . 11289 1 20 . GLY . 11289 1 21 . CYS . 11289 1 22 . ASN . 11289 1 23 . ARG . 11289 1 24 . PRO . 11289 1 25 . VAL . 11289 1 26 . LEU . 11289 1 27 . GLU . 11289 1 28 . ASN . 11289 1 29 . TYR . 11289 1 30 . LEU . 11289 1 31 . SER . 11289 1 32 . ALA . 11289 1 33 . MET . 11289 1 34 . ASP . 11289 1 35 . THR . 11289 1 36 . VAL . 11289 1 37 . TRP . 11289 1 38 . HIS . 11289 1 39 . PRO . 11289 1 40 . GLU . 11289 1 41 . CYS . 11289 1 42 . PHE . 11289 1 43 . VAL . 11289 1 44 . CYS . 11289 1 45 . GLY . 11289 1 46 . ASP . 11289 1 47 . CYS . 11289 1 48 . PHE . 11289 1 49 . THR . 11289 1 50 . SER . 11289 1 51 . PHE . 11289 1 52 . SER . 11289 1 53 . THR . 11289 1 54 . GLY . 11289 1 55 . SER . 11289 1 56 . PHE . 11289 1 57 . PHE . 11289 1 58 . GLU . 11289 1 59 . LEU . 11289 1 60 . ASP . 11289 1 61 . GLY . 11289 1 62 . ARG . 11289 1 63 . PRO . 11289 1 64 . PHE . 11289 1 65 . CYS . 11289 1 66 . GLU . 11289 1 67 . LEU . 11289 1 68 . HIS . 11289 1 69 . TYR . 11289 1 70 . HIS . 11289 1 71 . HIS . 11289 1 72 . ARG . 11289 1 73 . ARG . 11289 1 74 . GLY . 11289 1 75 . SER . 11289 1 76 . GLY . 11289 1 77 . PRO . 11289 1 78 . SER . 11289 1 79 . SER . 11289 1 80 . GLY . 11289 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 11289 1 . SER 2 2 11289 1 . SER 3 3 11289 1 . GLY 4 4 11289 1 . SER 5 5 11289 1 . SER 6 6 11289 1 . GLY 7 7 11289 1 . LYS 8 8 11289 1 . ASP 9 9 11289 1 . PHE 10 10 11289 1 . LEU 11 11 11289 1 . ALA 12 12 11289 1 . MET 13 13 11289 1 . PHE 14 14 11289 1 . SER 15 15 11289 1 . PRO 16 16 11289 1 . LYS 17 17 11289 1 . CYS 18 18 11289 1 . GLY 19 19 11289 1 . GLY 20 20 11289 1 . CYS 21 21 11289 1 . ASN 22 22 11289 1 . ARG 23 23 11289 1 . PRO 24 24 11289 1 . VAL 25 25 11289 1 . LEU 26 26 11289 1 . GLU 27 27 11289 1 . ASN 28 28 11289 1 . TYR 29 29 11289 1 . LEU 30 30 11289 1 . SER 31 31 11289 1 . ALA 32 32 11289 1 . MET 33 33 11289 1 . ASP 34 34 11289 1 . THR 35 35 11289 1 . VAL 36 36 11289 1 . TRP 37 37 11289 1 . HIS 38 38 11289 1 . PRO 39 39 11289 1 . GLU 40 40 11289 1 . CYS 41 41 11289 1 . PHE 42 42 11289 1 . VAL 43 43 11289 1 . CYS 44 44 11289 1 . GLY 45 45 11289 1 . ASP 46 46 11289 1 . CYS 47 47 11289 1 . PHE 48 48 11289 1 . THR 49 49 11289 1 . SER 50 50 11289 1 . PHE 51 51 11289 1 . SER 52 52 11289 1 . THR 53 53 11289 1 . GLY 54 54 11289 1 . SER 55 55 11289 1 . PHE 56 56 11289 1 . PHE 57 57 11289 1 . GLU 58 58 11289 1 . LEU 59 59 11289 1 . ASP 60 60 11289 1 . GLY 61 61 11289 1 . ARG 62 62 11289 1 . PRO 63 63 11289 1 . PHE 64 64 11289 1 . CYS 65 65 11289 1 . GLU 66 66 11289 1 . LEU 67 67 11289 1 . HIS 68 68 11289 1 . TYR 69 69 11289 1 . HIS 70 70 11289 1 . HIS 71 71 11289 1 . ARG 72 72 11289 1 . ARG 73 73 11289 1 . GLY 74 74 11289 1 . SER 75 75 11289 1 . GLY 76 76 11289 1 . PRO 77 77 11289 1 . SER 78 78 11289 1 . SER 79 79 11289 1 . GLY 80 80 11289 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11289 _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 . 11289 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 11289 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11289 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 11289 _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 . . . . . . . . . . . . . . . . P040809-04 . . . . . . 11289 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 11289 _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 11289 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11289 ZN [Zn++] SMILES CACTVS 3.341 11289 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11289 ZN [Zn+2] SMILES ACDLabs 10.04 11289 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11289 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11289 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 11289 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11289 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 . 11289 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11289 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.06mM LIM domain U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZnCl2;} 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 'LIM domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.06 . . mM . . . . 11289 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11289 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11289 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11289 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11289 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11289 1 7 H2O . . . . . . solvent 90 . . % . . . . 11289 1 8 D2O . . . . . . solvent 10 . . % . . . . 11289 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 11289 _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 11289 1 pH 7.0 0.05 pH 11289 1 pressure 1 0.001 atm 11289 1 temperature 296 0.1 K 11289 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11289 _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 . . 11289 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11289 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11289 _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.' . . 11289 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11289 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11289 _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.' . . 11289 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11289 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11289 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11289 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11289 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11289 _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.' . . 11289 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11289 5 'structure solution' 11289 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 11289 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11289 _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 . 900 . . . 11289 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 11289 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11289 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11289 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 11289 _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 . . . . . . . . . 11289 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11289 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11289 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 11289 _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 15N-separated NOESY' 1 $sample_1 isotropic 11289 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11289 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 . . 11289 1 2 $NMRPipe . . 11289 1 3 $NMRview . . 11289 1 4 $Kujira . . 11289 1 5 $CYANA . . 11289 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 7 7 GLY HA2 H 1 3.984 0.030 . 1 . . . . 7 GLY HA2 . 11289 1 2 . 1 1 7 7 GLY HA3 H 1 3.984 0.030 . 1 . . . . 7 GLY HA3 . 11289 1 3 . 1 1 7 7 GLY C C 13 174.468 0.300 . 1 . . . . 7 GLY C . 11289 1 4 . 1 1 7 7 GLY CA C 13 45.607 0.300 . 1 . . . . 7 GLY CA . 11289 1 5 . 1 1 8 8 LYS H H 1 8.175 0.030 . 1 . . . . 8 LYS H . 11289 1 6 . 1 1 8 8 LYS HA H 1 4.234 0.030 . 1 . . . . 8 LYS HA . 11289 1 7 . 1 1 8 8 LYS HB2 H 1 1.748 0.030 . 2 . . . . 8 LYS HB2 . 11289 1 8 . 1 1 8 8 LYS HB3 H 1 1.686 0.030 . 2 . . . . 8 LYS HB3 . 11289 1 9 . 1 1 8 8 LYS HD2 H 1 1.636 0.030 . 1 . . . . 8 LYS HD2 . 11289 1 10 . 1 1 8 8 LYS HD3 H 1 1.636 0.030 . 1 . . . . 8 LYS HD3 . 11289 1 11 . 1 1 8 8 LYS HE2 H 1 2.955 0.030 . 1 . . . . 8 LYS HE2 . 11289 1 12 . 1 1 8 8 LYS HE3 H 1 2.955 0.030 . 1 . . . . 8 LYS HE3 . 11289 1 13 . 1 1 8 8 LYS HG2 H 1 1.385 0.030 . 2 . . . . 8 LYS HG2 . 11289 1 14 . 1 1 8 8 LYS HG3 H 1 1.330 0.030 . 2 . . . . 8 LYS HG3 . 11289 1 15 . 1 1 8 8 LYS C C 13 176.653 0.300 . 1 . . . . 8 LYS C . 11289 1 16 . 1 1 8 8 LYS CA C 13 56.727 0.300 . 1 . . . . 8 LYS CA . 11289 1 17 . 1 1 8 8 LYS CB C 13 32.908 0.300 . 1 . . . . 8 LYS CB . 11289 1 18 . 1 1 8 8 LYS CD C 13 29.101 0.300 . 1 . . . . 8 LYS CD . 11289 1 19 . 1 1 8 8 LYS CE C 13 42.165 0.300 . 1 . . . . 8 LYS CE . 11289 1 20 . 1 1 8 8 LYS CG C 13 24.667 0.300 . 1 . . . . 8 LYS CG . 11289 1 21 . 1 1 8 8 LYS N N 15 120.631 0.300 . 1 . . . . 8 LYS N . 11289 1 22 . 1 1 9 9 ASP H H 1 8.283 0.030 . 1 . . . . 9 ASP H . 11289 1 23 . 1 1 9 9 ASP HA H 1 4.515 0.030 . 1 . . . . 9 ASP HA . 11289 1 24 . 1 1 9 9 ASP HB2 H 1 2.637 0.030 . 2 . . . . 9 ASP HB2 . 11289 1 25 . 1 1 9 9 ASP HB3 H 1 2.556 0.030 . 2 . . . . 9 ASP HB3 . 11289 1 26 . 1 1 9 9 ASP C C 13 176.386 0.300 . 1 . . . . 9 ASP C . 11289 1 27 . 1 1 9 9 ASP CA C 13 54.704 0.300 . 1 . . . . 9 ASP CA . 11289 1 28 . 1 1 9 9 ASP CB C 13 40.869 0.300 . 1 . . . . 9 ASP CB . 11289 1 29 . 1 1 9 9 ASP N N 15 120.539 0.300 . 1 . . . . 9 ASP N . 11289 1 30 . 1 1 10 10 PHE H H 1 8.041 0.030 . 1 . . . . 10 PHE H . 11289 1 31 . 1 1 10 10 PHE HA H 1 4.465 0.030 . 1 . . . . 10 PHE HA . 11289 1 32 . 1 1 10 10 PHE HB2 H 1 3.090 0.030 . 1 . . . . 10 PHE HB2 . 11289 1 33 . 1 1 10 10 PHE HB3 H 1 3.090 0.030 . 1 . . . . 10 PHE HB3 . 11289 1 34 . 1 1 10 10 PHE HD1 H 1 7.203 0.030 . 1 . . . . 10 PHE HD1 . 11289 1 35 . 1 1 10 10 PHE HD2 H 1 7.203 0.030 . 1 . . . . 10 PHE HD2 . 11289 1 36 . 1 1 10 10 PHE C C 13 176.167 0.300 . 1 . . . . 10 PHE C . 11289 1 37 . 1 1 10 10 PHE CA C 13 58.845 0.300 . 1 . . . . 10 PHE CA . 11289 1 38 . 1 1 10 10 PHE CB C 13 39.347 0.300 . 1 . . . . 10 PHE CB . 11289 1 39 . 1 1 10 10 PHE CD1 C 13 131.806 0.300 . 1 . . . . 10 PHE CD1 . 11289 1 40 . 1 1 10 10 PHE CD2 C 13 131.806 0.300 . 1 . . . . 10 PHE CD2 . 11289 1 41 . 1 1 10 10 PHE N N 15 120.729 0.300 . 1 . . . . 10 PHE N . 11289 1 42 . 1 1 11 11 LEU H H 1 8.002 0.030 . 1 . . . . 11 LEU H . 11289 1 43 . 1 1 11 11 LEU HA H 1 4.144 0.030 . 1 . . . . 11 LEU HA . 11289 1 44 . 1 1 11 11 LEU HB2 H 1 1.638 0.030 . 2 . . . . 11 LEU HB2 . 11289 1 45 . 1 1 11 11 LEU HB3 H 1 1.512 0.030 . 2 . . . . 11 LEU HB3 . 11289 1 46 . 1 1 11 11 LEU HD11 H 1 0.875 0.030 . 1 . . . . 11 LEU HD1 . 11289 1 47 . 1 1 11 11 LEU HD12 H 1 0.875 0.030 . 1 . . . . 11 LEU HD1 . 11289 1 48 . 1 1 11 11 LEU HD13 H 1 0.875 0.030 . 1 . . . . 11 LEU HD1 . 11289 1 49 . 1 1 11 11 LEU HD21 H 1 0.808 0.030 . 1 . . . . 11 LEU HD2 . 11289 1 50 . 1 1 11 11 LEU HD22 H 1 0.808 0.030 . 1 . . . . 11 LEU HD2 . 11289 1 51 . 1 1 11 11 LEU HD23 H 1 0.808 0.030 . 1 . . . . 11 LEU HD2 . 11289 1 52 . 1 1 11 11 LEU HG H 1 1.543 0.030 . 1 . . . . 11 LEU HG . 11289 1 53 . 1 1 11 11 LEU C C 13 177.673 0.300 . 1 . . . . 11 LEU C . 11289 1 54 . 1 1 11 11 LEU CA C 13 55.739 0.300 . 1 . . . . 11 LEU CA . 11289 1 55 . 1 1 11 11 LEU CB C 13 41.999 0.300 . 1 . . . . 11 LEU CB . 11289 1 56 . 1 1 11 11 LEU CD1 C 13 25.054 0.300 . 2 . . . . 11 LEU CD1 . 11289 1 57 . 1 1 11 11 LEU CD2 C 13 23.464 0.300 . 2 . . . . 11 LEU CD2 . 11289 1 58 . 1 1 11 11 LEU CG C 13 26.923 0.300 . 1 . . . . 11 LEU CG . 11289 1 59 . 1 1 11 11 LEU N N 15 121.682 0.300 . 1 . . . . 11 LEU N . 11289 1 60 . 1 1 12 12 ALA H H 1 7.963 0.030 . 1 . . . . 12 ALA H . 11289 1 61 . 1 1 12 12 ALA HA H 1 4.133 0.030 . 1 . . . . 12 ALA HA . 11289 1 62 . 1 1 12 12 ALA HB1 H 1 1.342 0.030 . 1 . . . . 12 ALA HB . 11289 1 63 . 1 1 12 12 ALA HB2 H 1 1.342 0.030 . 1 . . . . 12 ALA HB . 11289 1 64 . 1 1 12 12 ALA HB3 H 1 1.342 0.030 . 1 . . . . 12 ALA HB . 11289 1 65 . 1 1 12 12 ALA C C 13 178.086 0.300 . 1 . . . . 12 ALA C . 11289 1 66 . 1 1 12 12 ALA CA C 13 53.089 0.300 . 1 . . . . 12 ALA CA . 11289 1 67 . 1 1 12 12 ALA CB C 13 18.882 0.300 . 1 . . . . 12 ALA CB . 11289 1 68 . 1 1 12 12 ALA N N 15 123.199 0.300 . 1 . . . . 12 ALA N . 11289 1 69 . 1 1 13 13 MET H H 1 7.924 0.030 . 1 . . . . 13 MET H . 11289 1 70 . 1 1 13 13 MET HA H 1 4.220 0.030 . 1 . . . . 13 MET HA . 11289 1 71 . 1 1 13 13 MET HB2 H 1 1.811 0.030 . 2 . . . . 13 MET HB2 . 11289 1 72 . 1 1 13 13 MET HB3 H 1 1.752 0.030 . 2 . . . . 13 MET HB3 . 11289 1 73 . 1 1 13 13 MET HE1 H 1 1.975 0.030 . 1 . . . . 13 MET HE . 11289 1 74 . 1 1 13 13 MET HE2 H 1 1.975 0.030 . 1 . . . . 13 MET HE . 11289 1 75 . 1 1 13 13 MET HE3 H 1 1.975 0.030 . 1 . . . . 13 MET HE . 11289 1 76 . 1 1 13 13 MET HG2 H 1 2.329 0.030 . 2 . . . . 13 MET HG2 . 11289 1 77 . 1 1 13 13 MET HG3 H 1 2.250 0.030 . 2 . . . . 13 MET HG3 . 11289 1 78 . 1 1 13 13 MET C C 13 176.095 0.300 . 1 . . . . 13 MET C . 11289 1 79 . 1 1 13 13 MET CA C 13 56.129 0.300 . 1 . . . . 13 MET CA . 11289 1 80 . 1 1 13 13 MET CB C 13 32.853 0.300 . 1 . . . . 13 MET CB . 11289 1 81 . 1 1 13 13 MET CE C 13 16.832 0.300 . 1 . . . . 13 MET CE . 11289 1 82 . 1 1 13 13 MET CG C 13 31.672 0.300 . 1 . . . . 13 MET CG . 11289 1 83 . 1 1 13 13 MET N N 15 117.418 0.300 . 1 . . . . 13 MET N . 11289 1 84 . 1 1 14 14 PHE H H 1 7.974 0.030 . 1 . . . . 14 PHE H . 11289 1 85 . 1 1 14 14 PHE HA H 1 4.613 0.030 . 1 . . . . 14 PHE HA . 11289 1 86 . 1 1 14 14 PHE HB2 H 1 2.805 0.030 . 2 . . . . 14 PHE HB2 . 11289 1 87 . 1 1 14 14 PHE HB3 H 1 3.090 0.030 . 2 . . . . 14 PHE HB3 . 11289 1 88 . 1 1 14 14 PHE HD1 H 1 7.152 0.030 . 1 . . . . 14 PHE HD1 . 11289 1 89 . 1 1 14 14 PHE HD2 H 1 7.152 0.030 . 1 . . . . 14 PHE HD2 . 11289 1 90 . 1 1 14 14 PHE C C 13 175.172 0.300 . 1 . . . . 14 PHE C . 11289 1 91 . 1 1 14 14 PHE CA C 13 57.564 0.300 . 1 . . . . 14 PHE CA . 11289 1 92 . 1 1 14 14 PHE CB C 13 39.648 0.300 . 1 . . . . 14 PHE CB . 11289 1 93 . 1 1 14 14 PHE CD1 C 13 131.835 0.300 . 1 . . . . 14 PHE CD1 . 11289 1 94 . 1 1 14 14 PHE CD2 C 13 131.835 0.300 . 1 . . . . 14 PHE CD2 . 11289 1 95 . 1 1 14 14 PHE N N 15 119.514 0.300 . 1 . . . . 14 PHE N . 11289 1 96 . 1 1 15 15 SER H H 1 7.929 0.030 . 1 . . . . 15 SER H . 11289 1 97 . 1 1 15 15 SER HA H 1 4.520 0.030 . 1 . . . . 15 SER HA . 11289 1 98 . 1 1 15 15 SER HB2 H 1 3.630 0.030 . 2 . . . . 15 SER HB2 . 11289 1 99 . 1 1 15 15 SER HB3 H 1 3.766 0.030 . 2 . . . . 15 SER HB3 . 11289 1 100 . 1 1 15 15 SER C C 13 171.627 0.300 . 1 . . . . 15 SER C . 11289 1 101 . 1 1 15 15 SER CA C 13 56.486 0.300 . 1 . . . . 15 SER CA . 11289 1 102 . 1 1 15 15 SER CB C 13 63.220 0.300 . 1 . . . . 15 SER CB . 11289 1 103 . 1 1 15 15 SER N N 15 118.161 0.300 . 1 . . . . 15 SER N . 11289 1 104 . 1 1 16 16 PRO HA H 1 4.206 0.030 . 1 . . . . 16 PRO HA . 11289 1 105 . 1 1 16 16 PRO HB2 H 1 1.545 0.030 . 2 . . . . 16 PRO HB2 . 11289 1 106 . 1 1 16 16 PRO HB3 H 1 1.989 0.030 . 2 . . . . 16 PRO HB3 . 11289 1 107 . 1 1 16 16 PRO HD2 H 1 3.475 0.030 . 2 . . . . 16 PRO HD2 . 11289 1 108 . 1 1 16 16 PRO HD3 H 1 3.403 0.030 . 2 . . . . 16 PRO HD3 . 11289 1 109 . 1 1 16 16 PRO HG2 H 1 1.681 0.030 . 1 . . . . 16 PRO HG2 . 11289 1 110 . 1 1 16 16 PRO HG3 H 1 1.681 0.030 . 1 . . . . 16 PRO HG3 . 11289 1 111 . 1 1 16 16 PRO C C 13 175.415 0.300 . 1 . . . . 16 PRO C . 11289 1 112 . 1 1 16 16 PRO CA C 13 62.657 0.300 . 1 . . . . 16 PRO CA . 11289 1 113 . 1 1 16 16 PRO CB C 13 31.934 0.300 . 1 . . . . 16 PRO CB . 11289 1 114 . 1 1 16 16 PRO CD C 13 50.367 0.300 . 1 . . . . 16 PRO CD . 11289 1 115 . 1 1 16 16 PRO CG C 13 27.099 0.300 . 1 . . . . 16 PRO CG . 11289 1 116 . 1 1 17 17 LYS H H 1 8.033 0.030 . 1 . . . . 17 LYS H . 11289 1 117 . 1 1 17 17 LYS HA H 1 4.017 0.030 . 1 . . . . 17 LYS HA . 11289 1 118 . 1 1 17 17 LYS HB2 H 1 1.434 0.030 . 2 . . . . 17 LYS HB2 . 11289 1 119 . 1 1 17 17 LYS HB3 H 1 1.194 0.030 . 2 . . . . 17 LYS HB3 . 11289 1 120 . 1 1 17 17 LYS HD2 H 1 1.485 0.030 . 2 . . . . 17 LYS HD2 . 11289 1 121 . 1 1 17 17 LYS HD3 H 1 1.394 0.030 . 2 . . . . 17 LYS HD3 . 11289 1 122 . 1 1 17 17 LYS HE2 H 1 2.898 0.030 . 1 . . . . 17 LYS HE2 . 11289 1 123 . 1 1 17 17 LYS HE3 H 1 2.898 0.030 . 1 . . . . 17 LYS HE3 . 11289 1 124 . 1 1 17 17 LYS HG2 H 1 1.274 0.030 . 2 . . . . 17 LYS HG2 . 11289 1 125 . 1 1 17 17 LYS HG3 H 1 1.028 0.030 . 2 . . . . 17 LYS HG3 . 11289 1 126 . 1 1 17 17 LYS C C 13 174.589 0.300 . 1 . . . . 17 LYS C . 11289 1 127 . 1 1 17 17 LYS CA C 13 54.633 0.300 . 1 . . . . 17 LYS CA . 11289 1 128 . 1 1 17 17 LYS CB C 13 34.141 0.300 . 1 . . . . 17 LYS CB . 11289 1 129 . 1 1 17 17 LYS CD C 13 28.458 0.300 . 1 . . . . 17 LYS CD . 11289 1 130 . 1 1 17 17 LYS CE C 13 42.157 0.300 . 1 . . . . 17 LYS CE . 11289 1 131 . 1 1 17 17 LYS CG C 13 24.994 0.300 . 1 . . . . 17 LYS CG . 11289 1 132 . 1 1 17 17 LYS N N 15 119.755 0.300 . 1 . . . . 17 LYS N . 11289 1 133 . 1 1 18 18 CYS H H 1 8.080 0.030 . 1 . . . . 18 CYS H . 11289 1 134 . 1 1 18 18 CYS HA H 1 3.943 0.030 . 1 . . . . 18 CYS HA . 11289 1 135 . 1 1 18 18 CYS HB2 H 1 3.307 0.030 . 2 . . . . 18 CYS HB2 . 11289 1 136 . 1 1 18 18 CYS HB3 H 1 2.229 0.030 . 2 . . . . 18 CYS HB3 . 11289 1 137 . 1 1 18 18 CYS C C 13 178.086 0.300 . 1 . . . . 18 CYS C . 11289 1 138 . 1 1 18 18 CYS CA C 13 57.985 0.300 . 1 . . . . 18 CYS CA . 11289 1 139 . 1 1 18 18 CYS CB C 13 31.260 0.300 . 1 . . . . 18 CYS CB . 11289 1 140 . 1 1 18 18 CYS N N 15 123.370 0.300 . 1 . . . . 18 CYS N . 11289 1 141 . 1 1 19 19 GLY H H 1 8.520 0.030 . 1 . . . . 19 GLY H . 11289 1 142 . 1 1 19 19 GLY HA2 H 1 3.543 0.030 . 2 . . . . 19 GLY HA2 . 11289 1 143 . 1 1 19 19 GLY HA3 H 1 2.096 0.030 . 2 . . . . 19 GLY HA3 . 11289 1 144 . 1 1 19 19 GLY C C 13 173.254 0.300 . 1 . . . . 19 GLY C . 11289 1 145 . 1 1 19 19 GLY CA C 13 46.346 0.300 . 1 . . . . 19 GLY CA . 11289 1 146 . 1 1 19 19 GLY N N 15 115.613 0.300 . 1 . . . . 19 GLY N . 11289 1 147 . 1 1 20 20 GLY H H 1 9.374 0.030 . 1 . . . . 20 GLY H . 11289 1 148 . 1 1 20 20 GLY HA2 H 1 4.466 0.030 . 2 . . . . 20 GLY HA2 . 11289 1 149 . 1 1 20 20 GLY HA3 H 1 3.951 0.030 . 2 . . . . 20 GLY HA3 . 11289 1 150 . 1 1 20 20 GLY C C 13 174.079 0.300 . 1 . . . . 20 GLY C . 11289 1 151 . 1 1 20 20 GLY CA C 13 46.180 0.300 . 1 . . . . 20 GLY CA . 11289 1 152 . 1 1 20 20 GLY N N 15 114.420 0.300 . 1 . . . . 20 GLY N . 11289 1 153 . 1 1 21 21 CYS H H 1 7.832 0.030 . 1 . . . . 21 CYS H . 11289 1 154 . 1 1 21 21 CYS HA H 1 4.988 0.030 . 1 . . . . 21 CYS HA . 11289 1 155 . 1 1 21 21 CYS HB2 H 1 3.297 0.030 . 2 . . . . 21 CYS HB2 . 11289 1 156 . 1 1 21 21 CYS HB3 H 1 3.092 0.030 . 2 . . . . 21 CYS HB3 . 11289 1 157 . 1 1 21 21 CYS C C 13 175.900 0.300 . 1 . . . . 21 CYS C . 11289 1 158 . 1 1 21 21 CYS CA C 13 58.506 0.300 . 1 . . . . 21 CYS CA . 11289 1 159 . 1 1 21 21 CYS CB C 13 31.896 0.300 . 1 . . . . 21 CYS CB . 11289 1 160 . 1 1 21 21 CYS N N 15 118.947 0.300 . 1 . . . . 21 CYS N . 11289 1 161 . 1 1 22 22 ASN H H 1 8.104 0.030 . 1 . . . . 22 ASN H . 11289 1 162 . 1 1 22 22 ASN HA H 1 4.476 0.030 . 1 . . . . 22 ASN HA . 11289 1 163 . 1 1 22 22 ASN HB2 H 1 3.135 0.030 . 2 . . . . 22 ASN HB2 . 11289 1 164 . 1 1 22 22 ASN HB3 H 1 2.729 0.030 . 2 . . . . 22 ASN HB3 . 11289 1 165 . 1 1 22 22 ASN HD21 H 1 7.490 0.030 . 2 . . . . 22 ASN HD21 . 11289 1 166 . 1 1 22 22 ASN HD22 H 1 6.793 0.030 . 2 . . . . 22 ASN HD22 . 11289 1 167 . 1 1 22 22 ASN C C 13 173.739 0.300 . 1 . . . . 22 ASN C . 11289 1 168 . 1 1 22 22 ASN CA C 13 55.033 0.300 . 1 . . . . 22 ASN CA . 11289 1 169 . 1 1 22 22 ASN CB C 13 38.812 0.300 . 1 . . . . 22 ASN CB . 11289 1 170 . 1 1 22 22 ASN N N 15 118.269 0.300 . 1 . . . . 22 ASN N . 11289 1 171 . 1 1 22 22 ASN ND2 N 15 111.883 0.300 . 1 . . . . 22 ASN ND2 . 11289 1 172 . 1 1 23 23 ARG H H 1 8.343 0.030 . 1 . . . . 23 ARG H . 11289 1 173 . 1 1 23 23 ARG HA H 1 4.868 0.030 . 1 . . . . 23 ARG HA . 11289 1 174 . 1 1 23 23 ARG HB2 H 1 2.065 0.030 . 2 . . . . 23 ARG HB2 . 11289 1 175 . 1 1 23 23 ARG HB3 H 1 2.009 0.030 . 2 . . . . 23 ARG HB3 . 11289 1 176 . 1 1 23 23 ARG HD2 H 1 3.254 0.030 . 1 . . . . 23 ARG HD2 . 11289 1 177 . 1 1 23 23 ARG HD3 H 1 3.254 0.030 . 1 . . . . 23 ARG HD3 . 11289 1 178 . 1 1 23 23 ARG HG2 H 1 1.863 0.030 . 2 . . . . 23 ARG HG2 . 11289 1 179 . 1 1 23 23 ARG HG3 H 1 1.706 0.030 . 2 . . . . 23 ARG HG3 . 11289 1 180 . 1 1 23 23 ARG C C 13 174.273 0.300 . 1 . . . . 23 ARG C . 11289 1 181 . 1 1 23 23 ARG CA C 13 54.383 0.300 . 1 . . . . 23 ARG CA . 11289 1 182 . 1 1 23 23 ARG CB C 13 29.979 0.300 . 1 . . . . 23 ARG CB . 11289 1 183 . 1 1 23 23 ARG CD C 13 43.242 0.300 . 1 . . . . 23 ARG CD . 11289 1 184 . 1 1 23 23 ARG CG C 13 27.646 0.300 . 1 . . . . 23 ARG CG . 11289 1 185 . 1 1 23 23 ARG N N 15 119.291 0.300 . 1 . . . . 23 ARG N . 11289 1 186 . 1 1 24 24 PRO HA H 1 4.429 0.030 . 1 . . . . 24 PRO HA . 11289 1 187 . 1 1 24 24 PRO HB2 H 1 2.227 0.030 . 2 . . . . 24 PRO HB2 . 11289 1 188 . 1 1 24 24 PRO HB3 H 1 1.732 0.030 . 2 . . . . 24 PRO HB3 . 11289 1 189 . 1 1 24 24 PRO HD2 H 1 3.832 0.030 . 2 . . . . 24 PRO HD2 . 11289 1 190 . 1 1 24 24 PRO HD3 H 1 3.636 0.030 . 2 . . . . 24 PRO HD3 . 11289 1 191 . 1 1 24 24 PRO HG2 H 1 2.119 0.030 . 2 . . . . 24 PRO HG2 . 11289 1 192 . 1 1 24 24 PRO HG3 H 1 1.870 0.030 . 2 . . . . 24 PRO HG3 . 11289 1 193 . 1 1 24 24 PRO C C 13 177.309 0.300 . 1 . . . . 24 PRO C . 11289 1 194 . 1 1 24 24 PRO CA C 13 63.580 0.300 . 1 . . . . 24 PRO CA . 11289 1 195 . 1 1 24 24 PRO CB C 13 32.453 0.300 . 1 . . . . 24 PRO CB . 11289 1 196 . 1 1 24 24 PRO CD C 13 50.607 0.300 . 1 . . . . 24 PRO CD . 11289 1 197 . 1 1 24 24 PRO CG C 13 28.036 0.300 . 1 . . . . 24 PRO CG . 11289 1 198 . 1 1 25 25 VAL H H 1 8.028 0.030 . 1 . . . . 25 VAL H . 11289 1 199 . 1 1 25 25 VAL HA H 1 4.043 0.030 . 1 . . . . 25 VAL HA . 11289 1 200 . 1 1 25 25 VAL HB H 1 1.751 0.030 . 1 . . . . 25 VAL HB . 11289 1 201 . 1 1 25 25 VAL HG11 H 1 0.365 0.030 . 1 . . . . 25 VAL HG1 . 11289 1 202 . 1 1 25 25 VAL HG12 H 1 0.365 0.030 . 1 . . . . 25 VAL HG1 . 11289 1 203 . 1 1 25 25 VAL HG13 H 1 0.365 0.030 . 1 . . . . 25 VAL HG1 . 11289 1 204 . 1 1 25 25 VAL HG21 H 1 0.232 0.030 . 1 . . . . 25 VAL HG2 . 11289 1 205 . 1 1 25 25 VAL HG22 H 1 0.232 0.030 . 1 . . . . 25 VAL HG2 . 11289 1 206 . 1 1 25 25 VAL HG23 H 1 0.232 0.030 . 1 . . . . 25 VAL HG2 . 11289 1 207 . 1 1 25 25 VAL C C 13 174.735 0.300 . 1 . . . . 25 VAL C . 11289 1 208 . 1 1 25 25 VAL CA C 13 61.230 0.300 . 1 . . . . 25 VAL CA . 11289 1 209 . 1 1 25 25 VAL CB C 13 32.300 0.300 . 1 . . . . 25 VAL CB . 11289 1 210 . 1 1 25 25 VAL CG1 C 13 21.471 0.300 . 2 . . . . 25 VAL CG1 . 11289 1 211 . 1 1 25 25 VAL CG2 C 13 19.170 0.300 . 2 . . . . 25 VAL CG2 . 11289 1 212 . 1 1 25 25 VAL N N 15 120.269 0.300 . 1 . . . . 25 VAL N . 11289 1 213 . 1 1 26 26 LEU H H 1 8.749 0.030 . 1 . . . . 26 LEU H . 11289 1 214 . 1 1 26 26 LEU HA H 1 4.525 0.030 . 1 . . . . 26 LEU HA . 11289 1 215 . 1 1 26 26 LEU HB2 H 1 1.878 0.030 . 2 . . . . 26 LEU HB2 . 11289 1 216 . 1 1 26 26 LEU HB3 H 1 1.716 0.030 . 2 . . . . 26 LEU HB3 . 11289 1 217 . 1 1 26 26 LEU HD11 H 1 0.969 0.030 . 1 . . . . 26 LEU HD1 . 11289 1 218 . 1 1 26 26 LEU HD12 H 1 0.969 0.030 . 1 . . . . 26 LEU HD1 . 11289 1 219 . 1 1 26 26 LEU HD13 H 1 0.969 0.030 . 1 . . . . 26 LEU HD1 . 11289 1 220 . 1 1 26 26 LEU HD21 H 1 0.871 0.030 . 1 . . . . 26 LEU HD2 . 11289 1 221 . 1 1 26 26 LEU HD22 H 1 0.871 0.030 . 1 . . . . 26 LEU HD2 . 11289 1 222 . 1 1 26 26 LEU HD23 H 1 0.871 0.030 . 1 . . . . 26 LEU HD2 . 11289 1 223 . 1 1 26 26 LEU HG H 1 1.613 0.030 . 1 . . . . 26 LEU HG . 11289 1 224 . 1 1 26 26 LEU C C 13 176.896 0.300 . 1 . . . . 26 LEU C . 11289 1 225 . 1 1 26 26 LEU CA C 13 55.032 0.300 . 1 . . . . 26 LEU CA . 11289 1 226 . 1 1 26 26 LEU CB C 13 42.172 0.300 . 1 . . . . 26 LEU CB . 11289 1 227 . 1 1 26 26 LEU CD1 C 13 25.222 0.300 . 2 . . . . 26 LEU CD1 . 11289 1 228 . 1 1 26 26 LEU CD2 C 13 23.186 0.300 . 2 . . . . 26 LEU CD2 . 11289 1 229 . 1 1 26 26 LEU CG C 13 27.691 0.300 . 1 . . . . 26 LEU CG . 11289 1 230 . 1 1 26 26 LEU N N 15 124.255 0.300 . 1 . . . . 26 LEU N . 11289 1 231 . 1 1 27 27 GLU H H 1 8.175 0.030 . 1 . . . . 27 GLU H . 11289 1 232 . 1 1 27 27 GLU HA H 1 4.398 0.030 . 1 . . . . 27 GLU HA . 11289 1 233 . 1 1 27 27 GLU HB2 H 1 2.158 0.030 . 2 . . . . 27 GLU HB2 . 11289 1 234 . 1 1 27 27 GLU HB3 H 1 2.013 0.030 . 2 . . . . 27 GLU HB3 . 11289 1 235 . 1 1 27 27 GLU HG2 H 1 2.243 0.030 . 1 . . . . 27 GLU HG2 . 11289 1 236 . 1 1 27 27 GLU HG3 H 1 2.243 0.030 . 1 . . . . 27 GLU HG3 . 11289 1 237 . 1 1 27 27 GLU C C 13 175.463 0.300 . 1 . . . . 27 GLU C . 11289 1 238 . 1 1 27 27 GLU CA C 13 57.029 0.300 . 1 . . . . 27 GLU CA . 11289 1 239 . 1 1 27 27 GLU CB C 13 30.445 0.300 . 1 . . . . 27 GLU CB . 11289 1 240 . 1 1 27 27 GLU CG C 13 36.015 0.300 . 1 . . . . 27 GLU CG . 11289 1 241 . 1 1 27 27 GLU N N 15 117.329 0.300 . 1 . . . . 27 GLU N . 11289 1 242 . 1 1 28 28 ASN H H 1 8.353 0.030 . 1 . . . . 28 ASN H . 11289 1 243 . 1 1 28 28 ASN HA H 1 4.627 0.030 . 1 . . . . 28 ASN HA . 11289 1 244 . 1 1 28 28 ASN HB2 H 1 2.846 0.030 . 1 . . . . 28 ASN HB2 . 11289 1 245 . 1 1 28 28 ASN HB3 H 1 2.846 0.030 . 1 . . . . 28 ASN HB3 . 11289 1 246 . 1 1 28 28 ASN HD21 H 1 7.699 0.030 . 2 . . . . 28 ASN HD21 . 11289 1 247 . 1 1 28 28 ASN HD22 H 1 7.057 0.030 . 2 . . . . 28 ASN HD22 . 11289 1 248 . 1 1 28 28 ASN C C 13 173.521 0.300 . 1 . . . . 28 ASN C . 11289 1 249 . 1 1 28 28 ASN CA C 13 53.204 0.300 . 1 . . . . 28 ASN CA . 11289 1 250 . 1 1 28 28 ASN CB C 13 38.149 0.300 . 1 . . . . 28 ASN CB . 11289 1 251 . 1 1 28 28 ASN N N 15 117.599 0.300 . 1 . . . . 28 ASN N . 11289 1 252 . 1 1 28 28 ASN ND2 N 15 113.169 0.300 . 1 . . . . 28 ASN ND2 . 11289 1 253 . 1 1 29 29 TYR H H 1 7.436 0.030 . 1 . . . . 29 TYR H . 11289 1 254 . 1 1 29 29 TYR HA H 1 4.992 0.030 . 1 . . . . 29 TYR HA . 11289 1 255 . 1 1 29 29 TYR HB2 H 1 2.906 0.030 . 2 . . . . 29 TYR HB2 . 11289 1 256 . 1 1 29 29 TYR HB3 H 1 2.799 0.030 . 2 . . . . 29 TYR HB3 . 11289 1 257 . 1 1 29 29 TYR HD1 H 1 6.801 0.030 . 1 . . . . 29 TYR HD1 . 11289 1 258 . 1 1 29 29 TYR HD2 H 1 6.801 0.030 . 1 . . . . 29 TYR HD2 . 11289 1 259 . 1 1 29 29 TYR HE1 H 1 6.701 0.030 . 1 . . . . 29 TYR HE1 . 11289 1 260 . 1 1 29 29 TYR HE2 H 1 6.701 0.030 . 1 . . . . 29 TYR HE2 . 11289 1 261 . 1 1 29 29 TYR C C 13 174.079 0.300 . 1 . . . . 29 TYR C . 11289 1 262 . 1 1 29 29 TYR CA C 13 55.877 0.300 . 1 . . . . 29 TYR CA . 11289 1 263 . 1 1 29 29 TYR CB C 13 40.244 0.300 . 1 . . . . 29 TYR CB . 11289 1 264 . 1 1 29 29 TYR CD1 C 13 133.718 0.300 . 1 . . . . 29 TYR CD1 . 11289 1 265 . 1 1 29 29 TYR CD2 C 13 133.718 0.300 . 1 . . . . 29 TYR CD2 . 11289 1 266 . 1 1 29 29 TYR CE1 C 13 118.107 0.300 . 1 . . . . 29 TYR CE1 . 11289 1 267 . 1 1 29 29 TYR CE2 C 13 118.107 0.300 . 1 . . . . 29 TYR CE2 . 11289 1 268 . 1 1 29 29 TYR N N 15 115.666 0.300 . 1 . . . . 29 TYR N . 11289 1 269 . 1 1 30 30 LEU H H 1 9.065 0.030 . 1 . . . . 30 LEU H . 11289 1 270 . 1 1 30 30 LEU HA H 1 4.684 0.030 . 1 . . . . 30 LEU HA . 11289 1 271 . 1 1 30 30 LEU HB2 H 1 1.434 0.030 . 1 . . . . 30 LEU HB2 . 11289 1 272 . 1 1 30 30 LEU HB3 H 1 1.434 0.030 . 1 . . . . 30 LEU HB3 . 11289 1 273 . 1 1 30 30 LEU HD11 H 1 0.601 0.030 . 1 . . . . 30 LEU HD1 . 11289 1 274 . 1 1 30 30 LEU HD12 H 1 0.601 0.030 . 1 . . . . 30 LEU HD1 . 11289 1 275 . 1 1 30 30 LEU HD13 H 1 0.601 0.030 . 1 . . . . 30 LEU HD1 . 11289 1 276 . 1 1 30 30 LEU HD21 H 1 0.716 0.030 . 1 . . . . 30 LEU HD2 . 11289 1 277 . 1 1 30 30 LEU HD22 H 1 0.716 0.030 . 1 . . . . 30 LEU HD2 . 11289 1 278 . 1 1 30 30 LEU HD23 H 1 0.716 0.030 . 1 . . . . 30 LEU HD2 . 11289 1 279 . 1 1 30 30 LEU HG H 1 1.409 0.030 . 1 . . . . 30 LEU HG . 11289 1 280 . 1 1 30 30 LEU C C 13 176.192 0.300 . 1 . . . . 30 LEU C . 11289 1 281 . 1 1 30 30 LEU CA C 13 53.549 0.300 . 1 . . . . 30 LEU CA . 11289 1 282 . 1 1 30 30 LEU CB C 13 44.689 0.300 . 1 . . . . 30 LEU CB . 11289 1 283 . 1 1 30 30 LEU CD1 C 13 24.663 0.300 . 2 . . . . 30 LEU CD1 . 11289 1 284 . 1 1 30 30 LEU CD2 C 13 25.492 0.300 . 2 . . . . 30 LEU CD2 . 11289 1 285 . 1 1 30 30 LEU CG C 13 27.179 0.300 . 1 . . . . 30 LEU CG . 11289 1 286 . 1 1 30 30 LEU N N 15 120.905 0.300 . 1 . . . . 30 LEU N . 11289 1 287 . 1 1 31 31 SER H H 1 8.711 0.030 . 1 . . . . 31 SER H . 11289 1 288 . 1 1 31 31 SER HA H 1 5.301 0.030 . 1 . . . . 31 SER HA . 11289 1 289 . 1 1 31 31 SER HB2 H 1 3.867 0.030 . 2 . . . . 31 SER HB2 . 11289 1 290 . 1 1 31 31 SER HB3 H 1 3.754 0.030 . 2 . . . . 31 SER HB3 . 11289 1 291 . 1 1 31 31 SER C C 13 173.521 0.300 . 1 . . . . 31 SER C . 11289 1 292 . 1 1 31 31 SER CA C 13 57.341 0.300 . 1 . . . . 31 SER CA . 11289 1 293 . 1 1 31 31 SER CB C 13 63.644 0.300 . 1 . . . . 31 SER CB . 11289 1 294 . 1 1 31 31 SER N N 15 119.617 0.300 . 1 . . . . 31 SER N . 11289 1 295 . 1 1 32 32 ALA H H 1 8.372 0.030 . 1 . . . . 32 ALA H . 11289 1 296 . 1 1 32 32 ALA HA H 1 4.397 0.030 . 1 . . . . 32 ALA HA . 11289 1 297 . 1 1 32 32 ALA HB1 H 1 0.504 0.030 . 1 . . . . 32 ALA HB . 11289 1 298 . 1 1 32 32 ALA HB2 H 1 0.504 0.030 . 1 . . . . 32 ALA HB . 11289 1 299 . 1 1 32 32 ALA HB3 H 1 0.504 0.030 . 1 . . . . 32 ALA HB . 11289 1 300 . 1 1 32 32 ALA C C 13 177.697 0.300 . 1 . . . . 32 ALA C . 11289 1 301 . 1 1 32 32 ALA CA C 13 52.499 0.300 . 1 . . . . 32 ALA CA . 11289 1 302 . 1 1 32 32 ALA CB C 13 21.694 0.300 . 1 . . . . 32 ALA CB . 11289 1 303 . 1 1 32 32 ALA N N 15 125.909 0.300 . 1 . . . . 32 ALA N . 11289 1 304 . 1 1 33 33 MET H H 1 9.600 0.030 . 1 . . . . 33 MET H . 11289 1 305 . 1 1 33 33 MET HA H 1 4.027 0.030 . 1 . . . . 33 MET HA . 11289 1 306 . 1 1 33 33 MET HB2 H 1 2.473 0.030 . 2 . . . . 33 MET HB2 . 11289 1 307 . 1 1 33 33 MET HB3 H 1 2.133 0.030 . 2 . . . . 33 MET HB3 . 11289 1 308 . 1 1 33 33 MET HE1 H 1 1.861 0.030 . 1 . . . . 33 MET HE . 11289 1 309 . 1 1 33 33 MET HE2 H 1 1.861 0.030 . 1 . . . . 33 MET HE . 11289 1 310 . 1 1 33 33 MET HE3 H 1 1.861 0.030 . 1 . . . . 33 MET HE . 11289 1 311 . 1 1 33 33 MET HG2 H 1 2.597 0.030 . 2 . . . . 33 MET HG2 . 11289 1 312 . 1 1 33 33 MET HG3 H 1 2.321 0.030 . 2 . . . . 33 MET HG3 . 11289 1 313 . 1 1 33 33 MET C C 13 174.856 0.300 . 1 . . . . 33 MET C . 11289 1 314 . 1 1 33 33 MET CA C 13 57.120 0.300 . 1 . . . . 33 MET CA . 11289 1 315 . 1 1 33 33 MET CB C 13 31.192 0.300 . 1 . . . . 33 MET CB . 11289 1 316 . 1 1 33 33 MET CE C 13 16.949 0.300 . 1 . . . . 33 MET CE . 11289 1 317 . 1 1 33 33 MET CG C 13 33.081 0.300 . 1 . . . . 33 MET CG . 11289 1 318 . 1 1 33 33 MET N N 15 120.601 0.300 . 1 . . . . 33 MET N . 11289 1 319 . 1 1 34 34 ASP H H 1 8.641 0.030 . 1 . . . . 34 ASP H . 11289 1 320 . 1 1 34 34 ASP HA H 1 4.239 0.030 . 1 . . . . 34 ASP HA . 11289 1 321 . 1 1 34 34 ASP HB2 H 1 2.991 0.030 . 2 . . . . 34 ASP HB2 . 11289 1 322 . 1 1 34 34 ASP HB3 H 1 2.817 0.030 . 2 . . . . 34 ASP HB3 . 11289 1 323 . 1 1 34 34 ASP C C 13 174.686 0.300 . 1 . . . . 34 ASP C . 11289 1 324 . 1 1 34 34 ASP CA C 13 55.854 0.300 . 1 . . . . 34 ASP CA . 11289 1 325 . 1 1 34 34 ASP CB C 13 39.830 0.300 . 1 . . . . 34 ASP CB . 11289 1 326 . 1 1 34 34 ASP N N 15 111.186 0.300 . 1 . . . . 34 ASP N . 11289 1 327 . 1 1 35 35 THR H H 1 7.838 0.030 . 1 . . . . 35 THR H . 11289 1 328 . 1 1 35 35 THR HA H 1 4.614 0.030 . 1 . . . . 35 THR HA . 11289 1 329 . 1 1 35 35 THR HB H 1 4.070 0.030 . 1 . . . . 35 THR HB . 11289 1 330 . 1 1 35 35 THR HG21 H 1 0.898 0.030 . 1 . . . . 35 THR HG2 . 11289 1 331 . 1 1 35 35 THR HG22 H 1 0.898 0.030 . 1 . . . . 35 THR HG2 . 11289 1 332 . 1 1 35 35 THR HG23 H 1 0.898 0.030 . 1 . . . . 35 THR HG2 . 11289 1 333 . 1 1 35 35 THR C C 13 172.792 0.300 . 1 . . . . 35 THR C . 11289 1 334 . 1 1 35 35 THR CA C 13 59.224 0.300 . 1 . . . . 35 THR CA . 11289 1 335 . 1 1 35 35 THR CB C 13 70.052 0.300 . 1 . . . . 35 THR CB . 11289 1 336 . 1 1 35 35 THR CG2 C 13 19.165 0.300 . 1 . . . . 35 THR CG2 . 11289 1 337 . 1 1 35 35 THR N N 15 114.409 0.300 . 1 . . . . 35 THR N . 11289 1 338 . 1 1 36 36 VAL H H 1 8.198 0.030 . 1 . . . . 36 VAL H . 11289 1 339 . 1 1 36 36 VAL HA H 1 5.516 0.030 . 1 . . . . 36 VAL HA . 11289 1 340 . 1 1 36 36 VAL HB H 1 1.686 0.030 . 1 . . . . 36 VAL HB . 11289 1 341 . 1 1 36 36 VAL HG11 H 1 0.623 0.030 . 1 . . . . 36 VAL HG1 . 11289 1 342 . 1 1 36 36 VAL HG12 H 1 0.623 0.030 . 1 . . . . 36 VAL HG1 . 11289 1 343 . 1 1 36 36 VAL HG13 H 1 0.623 0.030 . 1 . . . . 36 VAL HG1 . 11289 1 344 . 1 1 36 36 VAL HG21 H 1 0.354 0.030 . 1 . . . . 36 VAL HG2 . 11289 1 345 . 1 1 36 36 VAL HG22 H 1 0.354 0.030 . 1 . . . . 36 VAL HG2 . 11289 1 346 . 1 1 36 36 VAL HG23 H 1 0.354 0.030 . 1 . . . . 36 VAL HG2 . 11289 1 347 . 1 1 36 36 VAL C C 13 174.589 0.300 . 1 . . . . 36 VAL C . 11289 1 348 . 1 1 36 36 VAL CA C 13 59.239 0.300 . 1 . . . . 36 VAL CA . 11289 1 349 . 1 1 36 36 VAL CB C 13 35.202 0.300 . 1 . . . . 36 VAL CB . 11289 1 350 . 1 1 36 36 VAL CG1 C 13 22.313 0.300 . 2 . . . . 36 VAL CG1 . 11289 1 351 . 1 1 36 36 VAL CG2 C 13 18.942 0.300 . 2 . . . . 36 VAL CG2 . 11289 1 352 . 1 1 36 36 VAL N N 15 116.398 0.300 . 1 . . . . 36 VAL N . 11289 1 353 . 1 1 37 37 TRP H H 1 8.759 0.030 . 1 . . . . 37 TRP H . 11289 1 354 . 1 1 37 37 TRP HA H 1 5.585 0.030 . 1 . . . . 37 TRP HA . 11289 1 355 . 1 1 37 37 TRP HB2 H 1 3.439 0.030 . 2 . . . . 37 TRP HB2 . 11289 1 356 . 1 1 37 37 TRP HB3 H 1 2.441 0.030 . 2 . . . . 37 TRP HB3 . 11289 1 357 . 1 1 37 37 TRP HD1 H 1 6.711 0.030 . 1 . . . . 37 TRP HD1 . 11289 1 358 . 1 1 37 37 TRP HE1 H 1 9.332 0.030 . 1 . . . . 37 TRP HE1 . 11289 1 359 . 1 1 37 37 TRP HE3 H 1 7.290 0.030 . 1 . . . . 37 TRP HE3 . 11289 1 360 . 1 1 37 37 TRP HH2 H 1 7.199 0.030 . 1 . . . . 37 TRP HH2 . 11289 1 361 . 1 1 37 37 TRP HZ2 H 1 7.321 0.030 . 1 . . . . 37 TRP HZ2 . 11289 1 362 . 1 1 37 37 TRP HZ3 H 1 6.996 0.030 . 1 . . . . 37 TRP HZ3 . 11289 1 363 . 1 1 37 37 TRP C C 13 178.960 0.300 . 1 . . . . 37 TRP C . 11289 1 364 . 1 1 37 37 TRP CA C 13 55.855 0.300 . 1 . . . . 37 TRP CA . 11289 1 365 . 1 1 37 37 TRP CB C 13 32.649 0.300 . 1 . . . . 37 TRP CB . 11289 1 366 . 1 1 37 37 TRP CD1 C 13 126.947 0.300 . 1 . . . . 37 TRP CD1 . 11289 1 367 . 1 1 37 37 TRP CE3 C 13 119.465 0.300 . 1 . . . . 37 TRP CE3 . 11289 1 368 . 1 1 37 37 TRP CH2 C 13 123.791 0.300 . 1 . . . . 37 TRP CH2 . 11289 1 369 . 1 1 37 37 TRP CZ2 C 13 114.469 0.300 . 1 . . . . 37 TRP CZ2 . 11289 1 370 . 1 1 37 37 TRP CZ3 C 13 121.579 0.300 . 1 . . . . 37 TRP CZ3 . 11289 1 371 . 1 1 37 37 TRP N N 15 117.299 0.300 . 1 . . . . 37 TRP N . 11289 1 372 . 1 1 37 37 TRP NE1 N 15 130.215 0.300 . 1 . . . . 37 TRP NE1 . 11289 1 373 . 1 1 38 38 HIS H H 1 9.127 0.030 . 1 . . . . 38 HIS H . 11289 1 374 . 1 1 38 38 HIS HA H 1 5.039 0.030 . 1 . . . . 38 HIS HA . 11289 1 375 . 1 1 38 38 HIS HB2 H 1 3.601 0.030 . 2 . . . . 38 HIS HB2 . 11289 1 376 . 1 1 38 38 HIS HB3 H 1 3.953 0.030 . 2 . . . . 38 HIS HB3 . 11289 1 377 . 1 1 38 38 HIS HD2 H 1 7.752 0.030 . 1 . . . . 38 HIS HD2 . 11289 1 378 . 1 1 38 38 HIS HE1 H 1 7.301 0.030 . 1 . . . . 38 HIS HE1 . 11289 1 379 . 1 1 38 38 HIS C C 13 176.532 0.300 . 1 . . . . 38 HIS C . 11289 1 380 . 1 1 38 38 HIS CA C 13 57.557 0.300 . 1 . . . . 38 HIS CA . 11289 1 381 . 1 1 38 38 HIS CB C 13 29.277 0.300 . 1 . . . . 38 HIS CB . 11289 1 382 . 1 1 38 38 HIS CD2 C 13 118.945 0.300 . 1 . . . . 38 HIS CD2 . 11289 1 383 . 1 1 38 38 HIS CE1 C 13 138.349 0.300 . 1 . . . . 38 HIS CE1 . 11289 1 384 . 1 1 38 38 HIS N N 15 124.295 0.300 . 1 . . . . 38 HIS N . 11289 1 385 . 1 1 39 39 PRO HA H 1 4.169 0.030 . 1 . . . . 39 PRO HA . 11289 1 386 . 1 1 39 39 PRO HB2 H 1 2.430 0.030 . 2 . . . . 39 PRO HB2 . 11289 1 387 . 1 1 39 39 PRO HB3 H 1 2.028 0.030 . 2 . . . . 39 PRO HB3 . 11289 1 388 . 1 1 39 39 PRO HD2 H 1 4.151 0.030 . 2 . . . . 39 PRO HD2 . 11289 1 389 . 1 1 39 39 PRO HD3 H 1 4.084 0.030 . 2 . . . . 39 PRO HD3 . 11289 1 390 . 1 1 39 39 PRO HG2 H 1 2.324 0.030 . 2 . . . . 39 PRO HG2 . 11289 1 391 . 1 1 39 39 PRO HG3 H 1 1.936 0.030 . 2 . . . . 39 PRO HG3 . 11289 1 392 . 1 1 39 39 PRO C C 13 179.154 0.300 . 1 . . . . 39 PRO C . 11289 1 393 . 1 1 39 39 PRO CA C 13 66.626 0.300 . 1 . . . . 39 PRO CA . 11289 1 394 . 1 1 39 39 PRO CB C 13 31.589 0.300 . 1 . . . . 39 PRO CB . 11289 1 395 . 1 1 39 39 PRO CD C 13 50.377 0.300 . 1 . . . . 39 PRO CD . 11289 1 396 . 1 1 39 39 PRO CG C 13 28.641 0.300 . 1 . . . . 39 PRO CG . 11289 1 397 . 1 1 40 40 GLU H H 1 9.885 0.030 . 1 . . . . 40 GLU H . 11289 1 398 . 1 1 40 40 GLU HA H 1 4.105 0.030 . 1 . . . . 40 GLU HA . 11289 1 399 . 1 1 40 40 GLU HB2 H 1 2.073 0.030 . 1 . . . . 40 GLU HB2 . 11289 1 400 . 1 1 40 40 GLU HB3 H 1 2.073 0.030 . 1 . . . . 40 GLU HB3 . 11289 1 401 . 1 1 40 40 GLU HG2 H 1 2.525 0.030 . 2 . . . . 40 GLU HG2 . 11289 1 402 . 1 1 40 40 GLU HG3 H 1 2.333 0.030 . 2 . . . . 40 GLU HG3 . 11289 1 403 . 1 1 40 40 GLU C C 13 176.993 0.300 . 1 . . . . 40 GLU C . 11289 1 404 . 1 1 40 40 GLU CA C 13 58.429 0.300 . 1 . . . . 40 GLU CA . 11289 1 405 . 1 1 40 40 GLU CB C 13 28.299 0.300 . 1 . . . . 40 GLU CB . 11289 1 406 . 1 1 40 40 GLU CG C 13 36.279 0.300 . 1 . . . . 40 GLU CG . 11289 1 407 . 1 1 40 40 GLU N N 15 114.078 0.300 . 1 . . . . 40 GLU N . 11289 1 408 . 1 1 41 41 CYS H H 1 8.047 0.030 . 1 . . . . 41 CYS H . 11289 1 409 . 1 1 41 41 CYS HA H 1 4.451 0.030 . 1 . . . . 41 CYS HA . 11289 1 410 . 1 1 41 41 CYS HB2 H 1 3.486 0.030 . 1 . . . . 41 CYS HB2 . 11289 1 411 . 1 1 41 41 CYS HB3 H 1 3.486 0.030 . 1 . . . . 41 CYS HB3 . 11289 1 412 . 1 1 41 41 CYS C C 13 175.050 0.300 . 1 . . . . 41 CYS C . 11289 1 413 . 1 1 41 41 CYS CA C 13 60.703 0.300 . 1 . . . . 41 CYS CA . 11289 1 414 . 1 1 41 41 CYS CB C 13 31.826 0.300 . 1 . . . . 41 CYS CB . 11289 1 415 . 1 1 41 41 CYS N N 15 117.372 0.300 . 1 . . . . 41 CYS N . 11289 1 416 . 1 1 42 42 PHE H H 1 7.378 0.030 . 1 . . . . 42 PHE H . 11289 1 417 . 1 1 42 42 PHE HA H 1 4.205 0.030 . 1 . . . . 42 PHE HA . 11289 1 418 . 1 1 42 42 PHE HB2 H 1 2.940 0.030 . 2 . . . . 42 PHE HB2 . 11289 1 419 . 1 1 42 42 PHE HB3 H 1 2.173 0.030 . 2 . . . . 42 PHE HB3 . 11289 1 420 . 1 1 42 42 PHE HD1 H 1 5.656 0.030 . 1 . . . . 42 PHE HD1 . 11289 1 421 . 1 1 42 42 PHE HD2 H 1 5.656 0.030 . 1 . . . . 42 PHE HD2 . 11289 1 422 . 1 1 42 42 PHE HE1 H 1 5.986 0.030 . 1 . . . . 42 PHE HE1 . 11289 1 423 . 1 1 42 42 PHE HE2 H 1 5.986 0.030 . 1 . . . . 42 PHE HE2 . 11289 1 424 . 1 1 42 42 PHE HZ H 1 4.881 0.030 . 1 . . . . 42 PHE HZ . 11289 1 425 . 1 1 42 42 PHE C C 13 171.384 0.300 . 1 . . . . 42 PHE C . 11289 1 426 . 1 1 42 42 PHE CA C 13 56.725 0.300 . 1 . . . . 42 PHE CA . 11289 1 427 . 1 1 42 42 PHE CB C 13 36.889 0.300 . 1 . . . . 42 PHE CB . 11289 1 428 . 1 1 42 42 PHE CD1 C 13 130.780 0.300 . 1 . . . . 42 PHE CD1 . 11289 1 429 . 1 1 42 42 PHE CD2 C 13 130.780 0.300 . 1 . . . . 42 PHE CD2 . 11289 1 430 . 1 1 42 42 PHE CE1 C 13 129.933 0.300 . 1 . . . . 42 PHE CE1 . 11289 1 431 . 1 1 42 42 PHE CE2 C 13 129.933 0.300 . 1 . . . . 42 PHE CE2 . 11289 1 432 . 1 1 42 42 PHE N N 15 124.503 0.300 . 1 . . . . 42 PHE N . 11289 1 433 . 1 1 43 43 VAL H H 1 6.662 0.030 . 1 . . . . 43 VAL H . 11289 1 434 . 1 1 43 43 VAL HA H 1 3.996 0.030 . 1 . . . . 43 VAL HA . 11289 1 435 . 1 1 43 43 VAL HB H 1 1.346 0.030 . 1 . . . . 43 VAL HB . 11289 1 436 . 1 1 43 43 VAL HG11 H 1 0.432 0.030 . 1 . . . . 43 VAL HG1 . 11289 1 437 . 1 1 43 43 VAL HG12 H 1 0.432 0.030 . 1 . . . . 43 VAL HG1 . 11289 1 438 . 1 1 43 43 VAL HG13 H 1 0.432 0.030 . 1 . . . . 43 VAL HG1 . 11289 1 439 . 1 1 43 43 VAL HG21 H 1 0.512 0.030 . 1 . . . . 43 VAL HG2 . 11289 1 440 . 1 1 43 43 VAL HG22 H 1 0.512 0.030 . 1 . . . . 43 VAL HG2 . 11289 1 441 . 1 1 43 43 VAL HG23 H 1 0.512 0.030 . 1 . . . . 43 VAL HG2 . 11289 1 442 . 1 1 43 43 VAL C C 13 174.225 0.300 . 1 . . . . 43 VAL C . 11289 1 443 . 1 1 43 43 VAL CA C 13 57.340 0.300 . 1 . . . . 43 VAL CA . 11289 1 444 . 1 1 43 43 VAL CB C 13 36.136 0.300 . 1 . . . . 43 VAL CB . 11289 1 445 . 1 1 43 43 VAL CG1 C 13 21.473 0.300 . 2 . . . . 43 VAL CG1 . 11289 1 446 . 1 1 43 43 VAL CG2 C 13 17.470 0.300 . 2 . . . . 43 VAL CG2 . 11289 1 447 . 1 1 43 43 VAL N N 15 112.992 0.300 . 1 . . . . 43 VAL N . 11289 1 448 . 1 1 44 44 CYS H H 1 7.581 0.030 . 1 . . . . 44 CYS H . 11289 1 449 . 1 1 44 44 CYS HA H 1 4.050 0.030 . 1 . . . . 44 CYS HA . 11289 1 450 . 1 1 44 44 CYS HB2 H 1 3.253 0.030 . 2 . . . . 44 CYS HB2 . 11289 1 451 . 1 1 44 44 CYS HB3 H 1 2.893 0.030 . 2 . . . . 44 CYS HB3 . 11289 1 452 . 1 1 44 44 CYS C C 13 177.479 0.300 . 1 . . . . 44 CYS C . 11289 1 453 . 1 1 44 44 CYS CA C 13 59.672 0.300 . 1 . . . . 44 CYS CA . 11289 1 454 . 1 1 44 44 CYS CB C 13 31.380 0.300 . 1 . . . . 44 CYS CB . 11289 1 455 . 1 1 44 44 CYS N N 15 121.396 0.300 . 1 . . . . 44 CYS N . 11289 1 456 . 1 1 45 45 GLY H H 1 7.951 0.030 . 1 . . . . 45 GLY H . 11289 1 457 . 1 1 45 45 GLY HA2 H 1 3.775 0.030 . 2 . . . . 45 GLY HA2 . 11289 1 458 . 1 1 45 45 GLY HA3 H 1 3.420 0.030 . 2 . . . . 45 GLY HA3 . 11289 1 459 . 1 1 45 45 GLY C C 13 172.914 0.300 . 1 . . . . 45 GLY C . 11289 1 460 . 1 1 45 45 GLY CA C 13 47.447 0.300 . 1 . . . . 45 GLY CA . 11289 1 461 . 1 1 45 45 GLY N N 15 115.649 0.300 . 1 . . . . 45 GLY N . 11289 1 462 . 1 1 46 46 ASP H H 1 8.770 0.030 . 1 . . . . 46 ASP H . 11289 1 463 . 1 1 46 46 ASP HA H 1 4.845 0.030 . 1 . . . . 46 ASP HA . 11289 1 464 . 1 1 46 46 ASP HB2 H 1 1.851 0.030 . 2 . . . . 46 ASP HB2 . 11289 1 465 . 1 1 46 46 ASP HB3 H 1 1.740 0.030 . 2 . . . . 46 ASP HB3 . 11289 1 466 . 1 1 46 46 ASP C C 13 176.386 0.300 . 1 . . . . 46 ASP C . 11289 1 467 . 1 1 46 46 ASP CA C 13 55.531 0.300 . 1 . . . . 46 ASP CA . 11289 1 468 . 1 1 46 46 ASP CB C 13 42.549 0.300 . 1 . . . . 46 ASP CB . 11289 1 469 . 1 1 46 46 ASP N N 15 119.469 0.300 . 1 . . . . 46 ASP N . 11289 1 470 . 1 1 47 47 CYS H H 1 7.442 0.030 . 1 . . . . 47 CYS H . 11289 1 471 . 1 1 47 47 CYS HA H 1 4.718 0.030 . 1 . . . . 47 CYS HA . 11289 1 472 . 1 1 47 47 CYS HB2 H 1 3.378 0.030 . 2 . . . . 47 CYS HB2 . 11289 1 473 . 1 1 47 47 CYS HB3 H 1 2.681 0.030 . 2 . . . . 47 CYS HB3 . 11289 1 474 . 1 1 47 47 CYS C C 13 175.706 0.300 . 1 . . . . 47 CYS C . 11289 1 475 . 1 1 47 47 CYS CA C 13 58.078 0.300 . 1 . . . . 47 CYS CA . 11289 1 476 . 1 1 47 47 CYS CB C 13 32.658 0.300 . 1 . . . . 47 CYS CB . 11289 1 477 . 1 1 47 47 CYS N N 15 116.171 0.300 . 1 . . . . 47 CYS N . 11289 1 478 . 1 1 48 48 PHE H H 1 8.073 0.030 . 1 . . . . 48 PHE H . 11289 1 479 . 1 1 48 48 PHE HA H 1 4.172 0.030 . 1 . . . . 48 PHE HA . 11289 1 480 . 1 1 48 48 PHE HB2 H 1 3.320 0.030 . 2 . . . . 48 PHE HB2 . 11289 1 481 . 1 1 48 48 PHE HB3 H 1 3.206 0.030 . 2 . . . . 48 PHE HB3 . 11289 1 482 . 1 1 48 48 PHE HD1 H 1 7.037 0.030 . 1 . . . . 48 PHE HD1 . 11289 1 483 . 1 1 48 48 PHE HD2 H 1 7.037 0.030 . 1 . . . . 48 PHE HD2 . 11289 1 484 . 1 1 48 48 PHE HE1 H 1 7.258 0.030 . 1 . . . . 48 PHE HE1 . 11289 1 485 . 1 1 48 48 PHE HE2 H 1 7.258 0.030 . 1 . . . . 48 PHE HE2 . 11289 1 486 . 1 1 48 48 PHE HZ H 1 7.224 0.030 . 1 . . . . 48 PHE HZ . 11289 1 487 . 1 1 48 48 PHE C C 13 174.468 0.300 . 1 . . . . 48 PHE C . 11289 1 488 . 1 1 48 48 PHE CA C 13 58.593 0.300 . 1 . . . . 48 PHE CA . 11289 1 489 . 1 1 48 48 PHE CB C 13 35.624 0.300 . 1 . . . . 48 PHE CB . 11289 1 490 . 1 1 48 48 PHE CD1 C 13 131.412 0.300 . 1 . . . . 48 PHE CD1 . 11289 1 491 . 1 1 48 48 PHE CD2 C 13 131.412 0.300 . 1 . . . . 48 PHE CD2 . 11289 1 492 . 1 1 48 48 PHE CE1 C 13 131.371 0.300 . 1 . . . . 48 PHE CE1 . 11289 1 493 . 1 1 48 48 PHE CE2 C 13 131.371 0.300 . 1 . . . . 48 PHE CE2 . 11289 1 494 . 1 1 48 48 PHE CZ C 13 131.180 0.300 . 1 . . . . 48 PHE CZ . 11289 1 495 . 1 1 48 48 PHE N N 15 119.031 0.300 . 1 . . . . 48 PHE N . 11289 1 496 . 1 1 49 49 THR H H 1 7.543 0.030 . 1 . . . . 49 THR H . 11289 1 497 . 1 1 49 49 THR HA H 1 4.378 0.030 . 1 . . . . 49 THR HA . 11289 1 498 . 1 1 49 49 THR HB H 1 4.208 0.030 . 1 . . . . 49 THR HB . 11289 1 499 . 1 1 49 49 THR HG21 H 1 1.192 0.030 . 1 . . . . 49 THR HG2 . 11289 1 500 . 1 1 49 49 THR HG22 H 1 1.192 0.030 . 1 . . . . 49 THR HG2 . 11289 1 501 . 1 1 49 49 THR HG23 H 1 1.192 0.030 . 1 . . . . 49 THR HG2 . 11289 1 502 . 1 1 49 49 THR C C 13 173.326 0.300 . 1 . . . . 49 THR C . 11289 1 503 . 1 1 49 49 THR CA C 13 62.127 0.300 . 1 . . . . 49 THR CA . 11289 1 504 . 1 1 49 49 THR CB C 13 69.951 0.300 . 1 . . . . 49 THR CB . 11289 1 505 . 1 1 49 49 THR CG2 C 13 21.477 0.300 . 1 . . . . 49 THR CG2 . 11289 1 506 . 1 1 49 49 THR N N 15 113.499 0.300 . 1 . . . . 49 THR N . 11289 1 507 . 1 1 50 50 SER H H 1 8.132 0.030 . 1 . . . . 50 SER H . 11289 1 508 . 1 1 50 50 SER HA H 1 4.134 0.030 . 1 . . . . 50 SER HA . 11289 1 509 . 1 1 50 50 SER HB2 H 1 3.941 0.030 . 2 . . . . 50 SER HB2 . 11289 1 510 . 1 1 50 50 SER HB3 H 1 3.796 0.030 . 2 . . . . 50 SER HB3 . 11289 1 511 . 1 1 50 50 SER C C 13 174.443 0.300 . 1 . . . . 50 SER C . 11289 1 512 . 1 1 50 50 SER CA C 13 57.774 0.300 . 1 . . . . 50 SER CA . 11289 1 513 . 1 1 50 50 SER CB C 13 64.102 0.300 . 1 . . . . 50 SER CB . 11289 1 514 . 1 1 50 50 SER N N 15 118.260 0.300 . 1 . . . . 50 SER N . 11289 1 515 . 1 1 51 51 PHE H H 1 8.432 0.030 . 1 . . . . 51 PHE H . 11289 1 516 . 1 1 51 51 PHE HA H 1 4.922 0.030 . 1 . . . . 51 PHE HA . 11289 1 517 . 1 1 51 51 PHE HB2 H 1 3.255 0.030 . 2 . . . . 51 PHE HB2 . 11289 1 518 . 1 1 51 51 PHE HB3 H 1 2.684 0.030 . 2 . . . . 51 PHE HB3 . 11289 1 519 . 1 1 51 51 PHE HD1 H 1 6.702 0.030 . 1 . . . . 51 PHE HD1 . 11289 1 520 . 1 1 51 51 PHE HD2 H 1 6.702 0.030 . 1 . . . . 51 PHE HD2 . 11289 1 521 . 1 1 51 51 PHE HE1 H 1 6.191 0.030 . 1 . . . . 51 PHE HE1 . 11289 1 522 . 1 1 51 51 PHE HE2 H 1 6.191 0.030 . 1 . . . . 51 PHE HE2 . 11289 1 523 . 1 1 51 51 PHE HZ H 1 6.231 0.030 . 1 . . . . 51 PHE HZ . 11289 1 524 . 1 1 51 51 PHE C C 13 177.284 0.300 . 1 . . . . 51 PHE C . 11289 1 525 . 1 1 51 51 PHE CA C 13 56.710 0.300 . 1 . . . . 51 PHE CA . 11289 1 526 . 1 1 51 51 PHE CB C 13 38.149 0.300 . 1 . . . . 51 PHE CB . 11289 1 527 . 1 1 51 51 PHE CD1 C 13 132.235 0.300 . 1 . . . . 51 PHE CD1 . 11289 1 528 . 1 1 51 51 PHE CD2 C 13 132.235 0.300 . 1 . . . . 51 PHE CD2 . 11289 1 529 . 1 1 51 51 PHE CE1 C 13 129.913 0.300 . 1 . . . . 51 PHE CE1 . 11289 1 530 . 1 1 51 51 PHE CE2 C 13 129.913 0.300 . 1 . . . . 51 PHE CE2 . 11289 1 531 . 1 1 51 51 PHE CZ C 13 127.596 0.300 . 1 . . . . 51 PHE CZ . 11289 1 532 . 1 1 51 51 PHE N N 15 121.194 0.300 . 1 . . . . 51 PHE N . 11289 1 533 . 1 1 52 52 SER H H 1 8.405 0.030 . 1 . . . . 52 SER H . 11289 1 534 . 1 1 52 52 SER HA H 1 4.393 0.030 . 1 . . . . 52 SER HA . 11289 1 535 . 1 1 52 52 SER HB2 H 1 3.967 0.030 . 1 . . . . 52 SER HB2 . 11289 1 536 . 1 1 52 52 SER HB3 H 1 3.967 0.030 . 1 . . . . 52 SER HB3 . 11289 1 537 . 1 1 52 52 SER C C 13 175.633 0.300 . 1 . . . . 52 SER C . 11289 1 538 . 1 1 52 52 SER CA C 13 60.111 0.300 . 1 . . . . 52 SER CA . 11289 1 539 . 1 1 52 52 SER CB C 13 63.241 0.300 . 1 . . . . 52 SER CB . 11289 1 540 . 1 1 52 52 SER N N 15 117.888 0.300 . 1 . . . . 52 SER N . 11289 1 541 . 1 1 53 53 THR HA H 1 4.446 0.030 . 1 . . . . 53 THR HA . 11289 1 542 . 1 1 53 53 THR HB H 1 4.436 0.030 . 1 . . . . 53 THR HB . 11289 1 543 . 1 1 53 53 THR HG21 H 1 1.233 0.030 . 1 . . . . 53 THR HG2 . 11289 1 544 . 1 1 53 53 THR HG22 H 1 1.233 0.030 . 1 . . . . 53 THR HG2 . 11289 1 545 . 1 1 53 53 THR HG23 H 1 1.233 0.030 . 1 . . . . 53 THR HG2 . 11289 1 546 . 1 1 53 53 THR C C 13 175.172 0.300 . 1 . . . . 53 THR C . 11289 1 547 . 1 1 53 53 THR CA C 13 62.010 0.300 . 1 . . . . 53 THR CA . 11289 1 548 . 1 1 53 53 THR CB C 13 69.633 0.300 . 1 . . . . 53 THR CB . 11289 1 549 . 1 1 53 53 THR CG2 C 13 21.653 0.300 . 1 . . . . 53 THR CG2 . 11289 1 550 . 1 1 54 54 GLY H H 1 8.254 0.030 . 1 . . . . 54 GLY H . 11289 1 551 . 1 1 54 54 GLY HA2 H 1 3.993 0.030 . 2 . . . . 54 GLY HA2 . 11289 1 552 . 1 1 54 54 GLY HA3 H 1 4.131 0.030 . 2 . . . . 54 GLY HA3 . 11289 1 553 . 1 1 54 54 GLY C C 13 173.618 0.300 . 1 . . . . 54 GLY C . 11289 1 554 . 1 1 54 54 GLY CA C 13 45.350 0.300 . 1 . . . . 54 GLY CA . 11289 1 555 . 1 1 54 54 GLY N N 15 110.422 0.300 . 1 . . . . 54 GLY N . 11289 1 556 . 1 1 55 55 SER H H 1 7.975 0.030 . 1 . . . . 55 SER H . 11289 1 557 . 1 1 55 55 SER HA H 1 4.392 0.030 . 1 . . . . 55 SER HA . 11289 1 558 . 1 1 55 55 SER HB2 H 1 3.618 0.030 . 1 . . . . 55 SER HB2 . 11289 1 559 . 1 1 55 55 SER HB3 H 1 3.618 0.030 . 1 . . . . 55 SER HB3 . 11289 1 560 . 1 1 55 55 SER C C 13 172.355 0.300 . 1 . . . . 55 SER C . 11289 1 561 . 1 1 55 55 SER CA C 13 57.743 0.300 . 1 . . . . 55 SER CA . 11289 1 562 . 1 1 55 55 SER CB C 13 63.900 0.300 . 1 . . . . 55 SER CB . 11289 1 563 . 1 1 55 55 SER N N 15 114.943 0.300 . 1 . . . . 55 SER N . 11289 1 564 . 1 1 56 56 PHE H H 1 6.903 0.030 . 1 . . . . 56 PHE H . 11289 1 565 . 1 1 56 56 PHE HA H 1 4.404 0.030 . 1 . . . . 56 PHE HA . 11289 1 566 . 1 1 56 56 PHE HB2 H 1 1.573 0.030 . 2 . . . . 56 PHE HB2 . 11289 1 567 . 1 1 56 56 PHE HB3 H 1 0.980 0.030 . 2 . . . . 56 PHE HB3 . 11289 1 568 . 1 1 56 56 PHE HD1 H 1 6.555 0.030 . 1 . . . . 56 PHE HD1 . 11289 1 569 . 1 1 56 56 PHE HD2 H 1 6.555 0.030 . 1 . . . . 56 PHE HD2 . 11289 1 570 . 1 1 56 56 PHE HE1 H 1 7.278 0.030 . 1 . . . . 56 PHE HE1 . 11289 1 571 . 1 1 56 56 PHE HE2 H 1 7.278 0.030 . 1 . . . . 56 PHE HE2 . 11289 1 572 . 1 1 56 56 PHE HZ H 1 7.214 0.030 . 1 . . . . 56 PHE HZ . 11289 1 573 . 1 1 56 56 PHE C C 13 172.938 0.300 . 1 . . . . 56 PHE C . 11289 1 574 . 1 1 56 56 PHE CA C 13 55.025 0.300 . 1 . . . . 56 PHE CA . 11289 1 575 . 1 1 56 56 PHE CB C 13 39.828 0.300 . 1 . . . . 56 PHE CB . 11289 1 576 . 1 1 56 56 PHE CD1 C 13 131.993 0.300 . 1 . . . . 56 PHE CD1 . 11289 1 577 . 1 1 56 56 PHE CD2 C 13 131.993 0.300 . 1 . . . . 56 PHE CD2 . 11289 1 578 . 1 1 56 56 PHE CE1 C 13 129.914 0.300 . 1 . . . . 56 PHE CE1 . 11289 1 579 . 1 1 56 56 PHE CE2 C 13 129.914 0.300 . 1 . . . . 56 PHE CE2 . 11289 1 580 . 1 1 56 56 PHE CZ C 13 131.180 0.300 . 1 . . . . 56 PHE CZ . 11289 1 581 . 1 1 56 56 PHE N N 15 117.666 0.300 . 1 . . . . 56 PHE N . 11289 1 582 . 1 1 57 57 PHE H H 1 8.626 0.030 . 1 . . . . 57 PHE H . 11289 1 583 . 1 1 57 57 PHE HA H 1 4.138 0.030 . 1 . . . . 57 PHE HA . 11289 1 584 . 1 1 57 57 PHE HB2 H 1 2.256 0.030 . 2 . . . . 57 PHE HB2 . 11289 1 585 . 1 1 57 57 PHE HB3 H 1 1.815 0.030 . 2 . . . . 57 PHE HB3 . 11289 1 586 . 1 1 57 57 PHE HD1 H 1 6.614 0.030 . 1 . . . . 57 PHE HD1 . 11289 1 587 . 1 1 57 57 PHE HD2 H 1 6.614 0.030 . 1 . . . . 57 PHE HD2 . 11289 1 588 . 1 1 57 57 PHE HE1 H 1 7.057 0.030 . 1 . . . . 57 PHE HE1 . 11289 1 589 . 1 1 57 57 PHE HE2 H 1 7.057 0.030 . 1 . . . . 57 PHE HE2 . 11289 1 590 . 1 1 57 57 PHE HZ H 1 7.120 0.030 . 1 . . . . 57 PHE HZ . 11289 1 591 . 1 1 57 57 PHE C C 13 174.298 0.300 . 1 . . . . 57 PHE C . 11289 1 592 . 1 1 57 57 PHE CA C 13 56.529 0.300 . 1 . . . . 57 PHE CA . 11289 1 593 . 1 1 57 57 PHE CB C 13 41.322 0.300 . 1 . . . . 57 PHE CB . 11289 1 594 . 1 1 57 57 PHE CD1 C 13 131.571 0.300 . 1 . . . . 57 PHE CD1 . 11289 1 595 . 1 1 57 57 PHE CD2 C 13 131.571 0.300 . 1 . . . . 57 PHE CD2 . 11289 1 596 . 1 1 57 57 PHE CE1 C 13 130.372 0.300 . 1 . . . . 57 PHE CE1 . 11289 1 597 . 1 1 57 57 PHE CE2 C 13 130.372 0.300 . 1 . . . . 57 PHE CE2 . 11289 1 598 . 1 1 57 57 PHE CZ C 13 129.064 0.300 . 1 . . . . 57 PHE CZ . 11289 1 599 . 1 1 57 57 PHE N N 15 120.109 0.300 . 1 . . . . 57 PHE N . 11289 1 600 . 1 1 58 58 GLU H H 1 8.527 0.030 . 1 . . . . 58 GLU H . 11289 1 601 . 1 1 58 58 GLU HA H 1 4.990 0.030 . 1 . . . . 58 GLU HA . 11289 1 602 . 1 1 58 58 GLU HB2 H 1 2.046 0.030 . 2 . . . . 58 GLU HB2 . 11289 1 603 . 1 1 58 58 GLU HB3 H 1 1.959 0.030 . 2 . . . . 58 GLU HB3 . 11289 1 604 . 1 1 58 58 GLU HG2 H 1 2.305 0.030 . 2 . . . . 58 GLU HG2 . 11289 1 605 . 1 1 58 58 GLU HG3 H 1 2.159 0.030 . 2 . . . . 58 GLU HG3 . 11289 1 606 . 1 1 58 58 GLU C C 13 175.706 0.300 . 1 . . . . 58 GLU C . 11289 1 607 . 1 1 58 58 GLU CA C 13 55.652 0.300 . 1 . . . . 58 GLU CA . 11289 1 608 . 1 1 58 58 GLU CB C 13 31.811 0.300 . 1 . . . . 58 GLU CB . 11289 1 609 . 1 1 58 58 GLU CG C 13 36.250 0.300 . 1 . . . . 58 GLU CG . 11289 1 610 . 1 1 58 58 GLU N N 15 122.790 0.300 . 1 . . . . 58 GLU N . 11289 1 611 . 1 1 59 59 LEU H H 1 9.278 0.030 . 1 . . . . 59 LEU H . 11289 1 612 . 1 1 59 59 LEU HA H 1 4.767 0.030 . 1 . . . . 59 LEU HA . 11289 1 613 . 1 1 59 59 LEU HB2 H 1 1.957 0.030 . 2 . . . . 59 LEU HB2 . 11289 1 614 . 1 1 59 59 LEU HB3 H 1 1.712 0.030 . 2 . . . . 59 LEU HB3 . 11289 1 615 . 1 1 59 59 LEU HD11 H 1 0.719 0.030 . 1 . . . . 59 LEU HD1 . 11289 1 616 . 1 1 59 59 LEU HD12 H 1 0.719 0.030 . 1 . . . . 59 LEU HD1 . 11289 1 617 . 1 1 59 59 LEU HD13 H 1 0.719 0.030 . 1 . . . . 59 LEU HD1 . 11289 1 618 . 1 1 59 59 LEU HD21 H 1 0.746 0.030 . 1 . . . . 59 LEU HD2 . 11289 1 619 . 1 1 59 59 LEU HD22 H 1 0.746 0.030 . 1 . . . . 59 LEU HD2 . 11289 1 620 . 1 1 59 59 LEU HD23 H 1 0.746 0.030 . 1 . . . . 59 LEU HD2 . 11289 1 621 . 1 1 59 59 LEU HG H 1 1.617 0.030 . 1 . . . . 59 LEU HG . 11289 1 622 . 1 1 59 59 LEU C C 13 176.119 0.300 . 1 . . . . 59 LEU C . 11289 1 623 . 1 1 59 59 LEU CA C 13 55.413 0.300 . 1 . . . . 59 LEU CA . 11289 1 624 . 1 1 59 59 LEU CB C 13 45.295 0.300 . 1 . . . . 59 LEU CB . 11289 1 625 . 1 1 59 59 LEU CD1 C 13 25.700 0.300 . 2 . . . . 59 LEU CD1 . 11289 1 626 . 1 1 59 59 LEU CD2 C 13 25.070 0.300 . 2 . . . . 59 LEU CD2 . 11289 1 627 . 1 1 59 59 LEU CG C 13 27.399 0.300 . 1 . . . . 59 LEU CG . 11289 1 628 . 1 1 59 59 LEU N N 15 125.939 0.300 . 1 . . . . 59 LEU N . 11289 1 629 . 1 1 60 60 ASP H H 1 9.455 0.030 . 1 . . . . 60 ASP H . 11289 1 630 . 1 1 60 60 ASP HA H 1 4.364 0.030 . 1 . . . . 60 ASP HA . 11289 1 631 . 1 1 60 60 ASP HB2 H 1 2.732 0.030 . 2 . . . . 60 ASP HB2 . 11289 1 632 . 1 1 60 60 ASP HB3 H 1 3.038 0.030 . 2 . . . . 60 ASP HB3 . 11289 1 633 . 1 1 60 60 ASP C C 13 176.313 0.300 . 1 . . . . 60 ASP C . 11289 1 634 . 1 1 60 60 ASP CA C 13 55.446 0.300 . 1 . . . . 60 ASP CA . 11289 1 635 . 1 1 60 60 ASP CB C 13 39.873 0.300 . 1 . . . . 60 ASP CB . 11289 1 636 . 1 1 60 60 ASP N N 15 126.335 0.300 . 1 . . . . 60 ASP N . 11289 1 637 . 1 1 61 61 GLY H H 1 9.117 0.030 . 1 . . . . 61 GLY H . 11289 1 638 . 1 1 61 61 GLY HA2 H 1 4.223 0.030 . 2 . . . . 61 GLY HA2 . 11289 1 639 . 1 1 61 61 GLY HA3 H 1 3.815 0.030 . 2 . . . . 61 GLY HA3 . 11289 1 640 . 1 1 61 61 GLY C C 13 173.861 0.300 . 1 . . . . 61 GLY C . 11289 1 641 . 1 1 61 61 GLY CA C 13 45.948 0.300 . 1 . . . . 61 GLY CA . 11289 1 642 . 1 1 61 61 GLY N N 15 103.720 0.300 . 1 . . . . 61 GLY N . 11289 1 643 . 1 1 62 62 ARG H H 1 8.013 0.030 . 1 . . . . 62 ARG H . 11289 1 644 . 1 1 62 62 ARG HA H 1 5.047 0.030 . 1 . . . . 62 ARG HA . 11289 1 645 . 1 1 62 62 ARG HB2 H 1 1.966 0.030 . 2 . . . . 62 ARG HB2 . 11289 1 646 . 1 1 62 62 ARG HB3 H 1 1.868 0.030 . 2 . . . . 62 ARG HB3 . 11289 1 647 . 1 1 62 62 ARG HD2 H 1 3.422 0.030 . 1 . . . . 62 ARG HD2 . 11289 1 648 . 1 1 62 62 ARG HD3 H 1 3.422 0.030 . 1 . . . . 62 ARG HD3 . 11289 1 649 . 1 1 62 62 ARG HE H 1 7.363 0.030 . 1 . . . . 62 ARG HE . 11289 1 650 . 1 1 62 62 ARG HG2 H 1 1.857 0.030 . 2 . . . . 62 ARG HG2 . 11289 1 651 . 1 1 62 62 ARG HG3 H 1 1.797 0.030 . 2 . . . . 62 ARG HG3 . 11289 1 652 . 1 1 62 62 ARG C C 13 172.938 0.300 . 1 . . . . 62 ARG C . 11289 1 653 . 1 1 62 62 ARG CA C 13 52.494 0.300 . 1 . . . . 62 ARG CA . 11289 1 654 . 1 1 62 62 ARG CB C 13 32.410 0.300 . 1 . . . . 62 ARG CB . 11289 1 655 . 1 1 62 62 ARG CD C 13 43.759 0.300 . 1 . . . . 62 ARG CD . 11289 1 656 . 1 1 62 62 ARG CG C 13 26.939 0.300 . 1 . . . . 62 ARG CG . 11289 1 657 . 1 1 62 62 ARG N N 15 119.828 0.300 . 1 . . . . 62 ARG N . 11289 1 658 . 1 1 62 62 ARG NE N 15 85.169 0.300 . 1 . . . . 62 ARG NE . 11289 1 659 . 1 1 63 63 PRO HA H 1 5.004 0.030 . 1 . . . . 63 PRO HA . 11289 1 660 . 1 1 63 63 PRO HB2 H 1 1.055 0.030 . 2 . . . . 63 PRO HB2 . 11289 1 661 . 1 1 63 63 PRO HB3 H 1 1.172 0.030 . 2 . . . . 63 PRO HB3 . 11289 1 662 . 1 1 63 63 PRO HD2 H 1 3.649 0.030 . 2 . . . . 63 PRO HD2 . 11289 1 663 . 1 1 63 63 PRO HD3 H 1 3.359 0.030 . 2 . . . . 63 PRO HD3 . 11289 1 664 . 1 1 63 63 PRO HG2 H 1 1.891 0.030 . 2 . . . . 63 PRO HG2 . 11289 1 665 . 1 1 63 63 PRO HG3 H 1 0.857 0.030 . 2 . . . . 63 PRO HG3 . 11289 1 666 . 1 1 63 63 PRO C C 13 175.657 0.300 . 1 . . . . 63 PRO C . 11289 1 667 . 1 1 63 63 PRO CA C 13 61.354 0.300 . 1 . . . . 63 PRO CA . 11289 1 668 . 1 1 63 63 PRO CB C 13 32.089 0.300 . 1 . . . . 63 PRO CB . 11289 1 669 . 1 1 63 63 PRO CD C 13 49.965 0.300 . 1 . . . . 63 PRO CD . 11289 1 670 . 1 1 63 63 PRO CG C 13 25.309 0.300 . 1 . . . . 63 PRO CG . 11289 1 671 . 1 1 64 64 PHE H H 1 8.928 0.030 . 1 . . . . 64 PHE H . 11289 1 672 . 1 1 64 64 PHE HA H 1 5.628 0.030 . 1 . . . . 64 PHE HA . 11289 1 673 . 1 1 64 64 PHE HB2 H 1 3.574 0.030 . 2 . . . . 64 PHE HB2 . 11289 1 674 . 1 1 64 64 PHE HB3 H 1 2.690 0.030 . 2 . . . . 64 PHE HB3 . 11289 1 675 . 1 1 64 64 PHE HD1 H 1 7.457 0.030 . 1 . . . . 64 PHE HD1 . 11289 1 676 . 1 1 64 64 PHE HD2 H 1 7.457 0.030 . 1 . . . . 64 PHE HD2 . 11289 1 677 . 1 1 64 64 PHE HE1 H 1 7.362 0.030 . 1 . . . . 64 PHE HE1 . 11289 1 678 . 1 1 64 64 PHE HE2 H 1 7.362 0.030 . 1 . . . . 64 PHE HE2 . 11289 1 679 . 1 1 64 64 PHE HZ H 1 7.128 0.030 . 1 . . . . 64 PHE HZ . 11289 1 680 . 1 1 64 64 PHE C C 13 175.633 0.300 . 1 . . . . 64 PHE C . 11289 1 681 . 1 1 64 64 PHE CA C 13 57.467 0.300 . 1 . . . . 64 PHE CA . 11289 1 682 . 1 1 64 64 PHE CB C 13 45.351 0.300 . 1 . . . . 64 PHE CB . 11289 1 683 . 1 1 64 64 PHE CD1 C 13 132.357 0.300 . 1 . . . . 64 PHE CD1 . 11289 1 684 . 1 1 64 64 PHE CD2 C 13 132.357 0.300 . 1 . . . . 64 PHE CD2 . 11289 1 685 . 1 1 64 64 PHE CE1 C 13 131.609 0.300 . 1 . . . . 64 PHE CE1 . 11289 1 686 . 1 1 64 64 PHE CE2 C 13 131.609 0.300 . 1 . . . . 64 PHE CE2 . 11289 1 687 . 1 1 64 64 PHE CZ C 13 128.653 0.300 . 1 . . . . 64 PHE CZ . 11289 1 688 . 1 1 64 64 PHE N N 15 116.479 0.300 . 1 . . . . 64 PHE N . 11289 1 689 . 1 1 65 65 CYS H H 1 9.566 0.030 . 1 . . . . 65 CYS H . 11289 1 690 . 1 1 65 65 CYS HA H 1 5.209 0.030 . 1 . . . . 65 CYS HA . 11289 1 691 . 1 1 65 65 CYS HB2 H 1 3.640 0.030 . 2 . . . . 65 CYS HB2 . 11289 1 692 . 1 1 65 65 CYS HB3 H 1 3.118 0.030 . 2 . . . . 65 CYS HB3 . 11289 1 693 . 1 1 65 65 CYS C C 13 174.662 0.300 . 1 . . . . 65 CYS C . 11289 1 694 . 1 1 65 65 CYS CA C 13 57.640 0.300 . 1 . . . . 65 CYS CA . 11289 1 695 . 1 1 65 65 CYS CB C 13 30.496 0.300 . 1 . . . . 65 CYS CB . 11289 1 696 . 1 1 65 65 CYS N N 15 118.729 0.300 . 1 . . . . 65 CYS N . 11289 1 697 . 1 1 66 66 GLU H H 1 8.912 0.030 . 1 . . . . 66 GLU H . 11289 1 698 . 1 1 66 66 GLU HA H 1 3.109 0.030 . 1 . . . . 66 GLU HA . 11289 1 699 . 1 1 66 66 GLU HB2 H 1 2.084 0.030 . 2 . . . . 66 GLU HB2 . 11289 1 700 . 1 1 66 66 GLU HB3 H 1 2.015 0.030 . 2 . . . . 66 GLU HB3 . 11289 1 701 . 1 1 66 66 GLU HG2 H 1 2.084 0.030 . 2 . . . . 66 GLU HG2 . 11289 1 702 . 1 1 66 66 GLU HG3 H 1 1.765 0.030 . 2 . . . . 66 GLU HG3 . 11289 1 703 . 1 1 66 66 GLU C C 13 177.163 0.300 . 1 . . . . 66 GLU C . 11289 1 704 . 1 1 66 66 GLU CA C 13 60.676 0.300 . 1 . . . . 66 GLU CA . 11289 1 705 . 1 1 66 66 GLU CB C 13 30.162 0.300 . 1 . . . . 66 GLU CB . 11289 1 706 . 1 1 66 66 GLU CG C 13 36.236 0.300 . 1 . . . . 66 GLU CG . 11289 1 707 . 1 1 66 66 GLU N N 15 120.640 0.300 . 1 . . . . 66 GLU N . 11289 1 708 . 1 1 67 67 LEU H H 1 7.767 0.030 . 1 . . . . 67 LEU H . 11289 1 709 . 1 1 67 67 LEU HA H 1 3.983 0.030 . 1 . . . . 67 LEU HA . 11289 1 710 . 1 1 67 67 LEU HB2 H 1 1.352 0.030 . 2 . . . . 67 LEU HB2 . 11289 1 711 . 1 1 67 67 LEU HB3 H 1 1.467 0.030 . 2 . . . . 67 LEU HB3 . 11289 1 712 . 1 1 67 67 LEU HD11 H 1 0.514 0.030 . 1 . . . . 67 LEU HD1 . 11289 1 713 . 1 1 67 67 LEU HD12 H 1 0.514 0.030 . 1 . . . . 67 LEU HD1 . 11289 1 714 . 1 1 67 67 LEU HD13 H 1 0.514 0.030 . 1 . . . . 67 LEU HD1 . 11289 1 715 . 1 1 67 67 LEU HD21 H 1 0.764 0.030 . 1 . . . . 67 LEU HD2 . 11289 1 716 . 1 1 67 67 LEU HD22 H 1 0.764 0.030 . 1 . . . . 67 LEU HD2 . 11289 1 717 . 1 1 67 67 LEU HD23 H 1 0.764 0.030 . 1 . . . . 67 LEU HD2 . 11289 1 718 . 1 1 67 67 LEU HG H 1 0.968 0.030 . 1 . . . . 67 LEU HG . 11289 1 719 . 1 1 67 67 LEU C C 13 179.664 0.300 . 1 . . . . 67 LEU C . 11289 1 720 . 1 1 67 67 LEU CA C 13 58.279 0.300 . 1 . . . . 67 LEU CA . 11289 1 721 . 1 1 67 67 LEU CB C 13 42.819 0.300 . 1 . . . . 67 LEU CB . 11289 1 722 . 1 1 67 67 LEU CD1 C 13 25.041 0.300 . 2 . . . . 67 LEU CD1 . 11289 1 723 . 1 1 67 67 LEU CD2 C 13 24.029 0.300 . 2 . . . . 67 LEU CD2 . 11289 1 724 . 1 1 67 67 LEU CG C 13 26.786 0.300 . 1 . . . . 67 LEU CG . 11289 1 725 . 1 1 67 67 LEU N N 15 118.429 0.300 . 1 . . . . 67 LEU N . 11289 1 726 . 1 1 68 68 HIS H H 1 8.251 0.030 . 1 . . . . 68 HIS H . 11289 1 727 . 1 1 68 68 HIS HA H 1 4.356 0.030 . 1 . . . . 68 HIS HA . 11289 1 728 . 1 1 68 68 HIS HB2 H 1 4.086 0.030 . 2 . . . . 68 HIS HB2 . 11289 1 729 . 1 1 68 68 HIS HB3 H 1 3.381 0.030 . 2 . . . . 68 HIS HB3 . 11289 1 730 . 1 1 68 68 HIS HD2 H 1 7.156 0.030 . 1 . . . . 68 HIS HD2 . 11289 1 731 . 1 1 68 68 HIS HE1 H 1 7.824 0.030 . 1 . . . . 68 HIS HE1 . 11289 1 732 . 1 1 68 68 HIS C C 13 176.702 0.300 . 1 . . . . 68 HIS C . 11289 1 733 . 1 1 68 68 HIS CA C 13 63.374 0.300 . 1 . . . . 68 HIS CA . 11289 1 734 . 1 1 68 68 HIS CB C 13 30.192 0.300 . 1 . . . . 68 HIS CB . 11289 1 735 . 1 1 68 68 HIS CD2 C 13 118.604 0.300 . 1 . . . . 68 HIS CD2 . 11289 1 736 . 1 1 68 68 HIS CE1 C 13 138.571 0.300 . 1 . . . . 68 HIS CE1 . 11289 1 737 . 1 1 68 68 HIS N N 15 119.777 0.300 . 1 . . . . 68 HIS N . 11289 1 738 . 1 1 69 69 TYR H H 1 9.177 0.030 . 1 . . . . 69 TYR H . 11289 1 739 . 1 1 69 69 TYR HA H 1 3.763 0.030 . 1 . . . . 69 TYR HA . 11289 1 740 . 1 1 69 69 TYR HB2 H 1 2.832 0.030 . 2 . . . . 69 TYR HB2 . 11289 1 741 . 1 1 69 69 TYR HB3 H 1 2.593 0.030 . 2 . . . . 69 TYR HB3 . 11289 1 742 . 1 1 69 69 TYR HD1 H 1 6.178 0.030 . 1 . . . . 69 TYR HD1 . 11289 1 743 . 1 1 69 69 TYR HD2 H 1 6.178 0.030 . 1 . . . . 69 TYR HD2 . 11289 1 744 . 1 1 69 69 TYR HE1 H 1 6.653 0.030 . 1 . . . . 69 TYR HE1 . 11289 1 745 . 1 1 69 69 TYR HE2 H 1 6.653 0.030 . 1 . . . . 69 TYR HE2 . 11289 1 746 . 1 1 69 69 TYR C C 13 176.483 0.300 . 1 . . . . 69 TYR C . 11289 1 747 . 1 1 69 69 TYR CA C 13 61.361 0.300 . 1 . . . . 69 TYR CA . 11289 1 748 . 1 1 69 69 TYR CB C 13 38.811 0.300 . 1 . . . . 69 TYR CB . 11289 1 749 . 1 1 69 69 TYR CD1 C 13 133.154 0.300 . 1 . . . . 69 TYR CD1 . 11289 1 750 . 1 1 69 69 TYR CD2 C 13 133.154 0.300 . 1 . . . . 69 TYR CD2 . 11289 1 751 . 1 1 69 69 TYR CE1 C 13 118.124 0.300 . 1 . . . . 69 TYR CE1 . 11289 1 752 . 1 1 69 69 TYR CE2 C 13 118.124 0.300 . 1 . . . . 69 TYR CE2 . 11289 1 753 . 1 1 69 69 TYR N N 15 122.718 0.300 . 1 . . . . 69 TYR N . 11289 1 754 . 1 1 70 70 HIS H H 1 7.899 0.030 . 1 . . . . 70 HIS H . 11289 1 755 . 1 1 70 70 HIS HA H 1 3.956 0.030 . 1 . . . . 70 HIS HA . 11289 1 756 . 1 1 70 70 HIS HB2 H 1 3.070 0.030 . 2 . . . . 70 HIS HB2 . 11289 1 757 . 1 1 70 70 HIS HB3 H 1 2.981 0.030 . 2 . . . . 70 HIS HB3 . 11289 1 758 . 1 1 70 70 HIS HD2 H 1 6.948 0.030 . 1 . . . . 70 HIS HD2 . 11289 1 759 . 1 1 70 70 HIS HE1 H 1 7.787 0.030 . 1 . . . . 70 HIS HE1 . 11289 1 760 . 1 1 70 70 HIS C C 13 179.008 0.300 . 1 . . . . 70 HIS C . 11289 1 761 . 1 1 70 70 HIS CA C 13 59.870 0.300 . 1 . . . . 70 HIS CA . 11289 1 762 . 1 1 70 70 HIS CB C 13 29.529 0.300 . 1 . . . . 70 HIS CB . 11289 1 763 . 1 1 70 70 HIS CD2 C 13 120.090 0.300 . 1 . . . . 70 HIS CD2 . 11289 1 764 . 1 1 70 70 HIS CE1 C 13 138.136 0.300 . 1 . . . . 70 HIS CE1 . 11289 1 765 . 1 1 70 70 HIS N N 15 116.282 0.300 . 1 . . . . 70 HIS N . 11289 1 766 . 1 1 71 71 HIS H H 1 8.026 0.030 . 1 . . . . 71 HIS H . 11289 1 767 . 1 1 71 71 HIS HA H 1 4.306 0.030 . 1 . . . . 71 HIS HA . 11289 1 768 . 1 1 71 71 HIS HB2 H 1 3.197 0.030 . 1 . . . . 71 HIS HB2 . 11289 1 769 . 1 1 71 71 HIS HB3 H 1 3.197 0.030 . 1 . . . . 71 HIS HB3 . 11289 1 770 . 1 1 71 71 HIS HD2 H 1 6.985 0.030 . 1 . . . . 71 HIS HD2 . 11289 1 771 . 1 1 71 71 HIS C C 13 178.086 0.300 . 1 . . . . 71 HIS C . 11289 1 772 . 1 1 71 71 HIS CA C 13 59.235 0.300 . 1 . . . . 71 HIS CA . 11289 1 773 . 1 1 71 71 HIS CB C 13 30.753 0.300 . 1 . . . . 71 HIS CB . 11289 1 774 . 1 1 71 71 HIS CD2 C 13 119.233 0.300 . 1 . . . . 71 HIS CD2 . 11289 1 775 . 1 1 71 71 HIS N N 15 118.865 0.300 . 1 . . . . 71 HIS N . 11289 1 776 . 1 1 72 72 ARG H H 1 7.764 0.030 . 1 . . . . 72 ARG H . 11289 1 777 . 1 1 72 72 ARG HA H 1 3.817 0.030 . 1 . . . . 72 ARG HA . 11289 1 778 . 1 1 72 72 ARG HB2 H 1 1.471 0.030 . 2 . . . . 72 ARG HB2 . 11289 1 779 . 1 1 72 72 ARG HB3 H 1 1.328 0.030 . 2 . . . . 72 ARG HB3 . 11289 1 780 . 1 1 72 72 ARG HD2 H 1 2.396 0.030 . 2 . . . . 72 ARG HD2 . 11289 1 781 . 1 1 72 72 ARG HD3 H 1 1.891 0.030 . 2 . . . . 72 ARG HD3 . 11289 1 782 . 1 1 72 72 ARG HE H 1 8.994 0.030 . 1 . . . . 72 ARG HE . 11289 1 783 . 1 1 72 72 ARG HG2 H 1 1.616 0.030 . 2 . . . . 72 ARG HG2 . 11289 1 784 . 1 1 72 72 ARG HG3 H 1 1.379 0.030 . 2 . . . . 72 ARG HG3 . 11289 1 785 . 1 1 72 72 ARG C C 13 178.474 0.300 . 1 . . . . 72 ARG C . 11289 1 786 . 1 1 72 72 ARG CA C 13 58.611 0.300 . 1 . . . . 72 ARG CA . 11289 1 787 . 1 1 72 72 ARG CB C 13 30.682 0.300 . 1 . . . . 72 ARG CB . 11289 1 788 . 1 1 72 72 ARG CD C 13 42.137 0.300 . 1 . . . . 72 ARG CD . 11289 1 789 . 1 1 72 72 ARG CG C 13 29.777 0.300 . 1 . . . . 72 ARG CG . 11289 1 790 . 1 1 72 72 ARG N N 15 118.514 0.300 . 1 . . . . 72 ARG N . 11289 1 791 . 1 1 72 72 ARG NE N 15 89.149 0.300 . 1 . . . . 72 ARG NE . 11289 1 792 . 1 1 73 73 ARG H H 1 7.951 0.030 . 1 . . . . 73 ARG H . 11289 1 793 . 1 1 73 73 ARG HA H 1 3.963 0.030 . 1 . . . . 73 ARG HA . 11289 1 794 . 1 1 73 73 ARG HB2 H 1 1.533 0.030 . 2 . . . . 73 ARG HB2 . 11289 1 795 . 1 1 73 73 ARG HB3 H 1 1.400 0.030 . 2 . . . . 73 ARG HB3 . 11289 1 796 . 1 1 73 73 ARG HD2 H 1 2.793 0.030 . 2 . . . . 73 ARG HD2 . 11289 1 797 . 1 1 73 73 ARG HD3 H 1 2.649 0.030 . 2 . . . . 73 ARG HD3 . 11289 1 798 . 1 1 73 73 ARG HG2 H 1 1.208 0.030 . 1 . . . . 73 ARG HG2 . 11289 1 799 . 1 1 73 73 ARG HG3 H 1 1.208 0.030 . 1 . . . . 73 ARG HG3 . 11289 1 800 . 1 1 73 73 ARG C C 13 177.381 0.300 . 1 . . . . 73 ARG C . 11289 1 801 . 1 1 73 73 ARG CA C 13 56.971 0.300 . 1 . . . . 73 ARG CA . 11289 1 802 . 1 1 73 73 ARG CB C 13 29.928 0.300 . 1 . . . . 73 ARG CB . 11289 1 803 . 1 1 73 73 ARG CD C 13 42.987 0.300 . 1 . . . . 73 ARG CD . 11289 1 804 . 1 1 73 73 ARG CG C 13 26.509 0.300 . 1 . . . . 73 ARG CG . 11289 1 805 . 1 1 73 73 ARG N N 15 118.580 0.300 . 1 . . . . 73 ARG N . 11289 1 806 . 1 1 74 74 GLY H H 1 7.730 0.030 . 1 . . . . 74 GLY H . 11289 1 807 . 1 1 74 74 GLY HA2 H 1 3.895 0.030 . 1 . . . . 74 GLY HA2 . 11289 1 808 . 1 1 74 74 GLY HA3 H 1 3.895 0.030 . 1 . . . . 74 GLY HA3 . 11289 1 809 . 1 1 74 74 GLY C C 13 174.225 0.300 . 1 . . . . 74 GLY C . 11289 1 810 . 1 1 74 74 GLY CA C 13 45.556 0.300 . 1 . . . . 74 GLY CA . 11289 1 811 . 1 1 74 74 GLY N N 15 107.410 0.300 . 1 . . . . 74 GLY N . 11289 1 812 . 1 1 75 75 SER H H 1 8.028 0.030 . 1 . . . . 75 SER H . 11289 1 813 . 1 1 75 75 SER HA H 1 4.459 0.030 . 1 . . . . 75 SER HA . 11289 1 814 . 1 1 75 75 SER HB2 H 1 3.870 0.030 . 2 . . . . 75 SER HB2 . 11289 1 815 . 1 1 75 75 SER HB3 H 1 3.736 0.030 . 2 . . . . 75 SER HB3 . 11289 1 816 . 1 1 75 75 SER C C 13 174.589 0.300 . 1 . . . . 75 SER C . 11289 1 817 . 1 1 75 75 SER CA C 13 58.099 0.300 . 1 . . . . 75 SER CA . 11289 1 818 . 1 1 75 75 SER CB C 13 63.951 0.300 . 1 . . . . 75 SER CB . 11289 1 819 . 1 1 75 75 SER N N 15 114.906 0.300 . 1 . . . . 75 SER N . 11289 1 820 . 1 1 76 76 GLY H H 1 8.184 0.030 . 1 . . . . 76 GLY H . 11289 1 821 . 1 1 76 76 GLY HA2 H 1 4.057 0.030 . 2 . . . . 76 GLY HA2 . 11289 1 822 . 1 1 76 76 GLY HA3 H 1 3.972 0.030 . 2 . . . . 76 GLY HA3 . 11289 1 823 . 1 1 76 76 GLY C C 13 171.772 0.300 . 1 . . . . 76 GLY C . 11289 1 824 . 1 1 76 76 GLY CA C 13 44.689 0.300 . 1 . . . . 76 GLY CA . 11289 1 825 . 1 1 76 76 GLY N N 15 110.298 0.300 . 1 . . . . 76 GLY N . 11289 1 826 . 1 1 77 77 PRO HA H 1 4.422 0.030 . 1 . . . . 77 PRO HA . 11289 1 827 . 1 1 77 77 PRO HB2 H 1 2.261 0.030 . 2 . . . . 77 PRO HB2 . 11289 1 828 . 1 1 77 77 PRO HB3 H 1 1.947 0.030 . 2 . . . . 77 PRO HB3 . 11289 1 829 . 1 1 77 77 PRO HD2 H 1 3.571 0.030 . 2 . . . . 77 PRO HD2 . 11289 1 830 . 1 1 77 77 PRO HD3 H 1 3.526 0.030 . 2 . . . . 77 PRO HD3 . 11289 1 831 . 1 1 77 77 PRO HG2 H 1 1.973 0.030 . 1 . . . . 77 PRO HG2 . 11289 1 832 . 1 1 77 77 PRO HG3 H 1 1.973 0.030 . 1 . . . . 77 PRO HG3 . 11289 1 833 . 1 1 77 77 PRO C C 13 177.381 0.300 . 1 . . . . 77 PRO C . 11289 1 834 . 1 1 77 77 PRO CA C 13 63.245 0.300 . 1 . . . . 77 PRO CA . 11289 1 835 . 1 1 77 77 PRO CB C 13 32.248 0.300 . 1 . . . . 77 PRO CB . 11289 1 836 . 1 1 77 77 PRO CD C 13 49.800 0.300 . 1 . . . . 77 PRO CD . 11289 1 837 . 1 1 77 77 PRO CG C 13 27.136 0.300 . 1 . . . . 77 PRO CG . 11289 1 838 . 1 1 78 78 SER H H 1 8.514 0.030 . 1 . . . . 78 SER H . 11289 1 839 . 1 1 78 78 SER HA H 1 4.464 0.030 . 1 . . . . 78 SER HA . 11289 1 840 . 1 1 78 78 SER HB2 H 1 3.877 0.030 . 1 . . . . 78 SER HB2 . 11289 1 841 . 1 1 78 78 SER HB3 H 1 3.877 0.030 . 1 . . . . 78 SER HB3 . 11289 1 842 . 1 1 78 78 SER C C 13 174.662 0.300 . 1 . . . . 78 SER C . 11289 1 843 . 1 1 78 78 SER CA C 13 58.382 0.300 . 1 . . . . 78 SER CA . 11289 1 844 . 1 1 78 78 SER CB C 13 63.644 0.300 . 1 . . . . 78 SER CB . 11289 1 845 . 1 1 78 78 SER N N 15 116.342 0.300 . 1 . . . . 78 SER N . 11289 1 846 . 1 1 79 79 SER H H 1 8.308 0.030 . 1 . . . . 79 SER H . 11289 1 847 . 1 1 79 79 SER HA H 1 4.474 0.030 . 1 . . . . 79 SER HA . 11289 1 848 . 1 1 79 79 SER HB2 H 1 3.872 0.030 . 1 . . . . 79 SER HB2 . 11289 1 849 . 1 1 79 79 SER HB3 H 1 3.872 0.030 . 1 . . . . 79 SER HB3 . 11289 1 850 . 1 1 79 79 SER C C 13 173.958 0.300 . 1 . . . . 79 SER C . 11289 1 851 . 1 1 79 79 SER CA C 13 58.385 0.300 . 1 . . . . 79 SER CA . 11289 1 852 . 1 1 79 79 SER CB C 13 64.139 0.300 . 1 . . . . 79 SER CB . 11289 1 853 . 1 1 79 79 SER N N 15 117.827 0.300 . 1 . . . . 79 SER N . 11289 1 854 . 1 1 80 80 GLY H H 1 8.049 0.030 . 1 . . . . 80 GLY H . 11289 1 855 . 1 1 80 80 GLY C C 13 179.008 0.300 . 1 . . . . 80 GLY C . 11289 1 856 . 1 1 80 80 GLY CA C 13 46.179 0.300 . 1 . . . . 80 GLY CA . 11289 1 857 . 1 1 80 80 GLY N N 15 116.876 0.300 . 1 . . . . 80 GLY N . 11289 1 stop_ save_