data_11316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11316 _Entry.Title ; Solution Structure of the zinc finger domain of Transcriptional repressor CTCF protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11316 2 S. Koshiba . . . 11316 3 M. Inoue . . . 11316 4 T. Kigawa . . . 11316 5 S. Yokoyama . . . 11316 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)' . 11316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 11316 '15N chemical shifts' 61 11316 '1H chemical shifts' 456 11316 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11316 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CT1 'BMRB Entry Tracking System' 11316 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11316 _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 zinc finger domain of Transcriptional repressor CTCF protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11316 1 2 S. Koshiba . . . 11316 1 3 M. Inoue . . . 11316 1 4 T. Kigawa . . . 11316 1 5 S. Yokoyama . . . 11316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11316 _Assembly.ID 1 _Assembly.Name 'Transcriptional repressor CTCF' _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 'zinc finger domain' 1 $entity_1 A . yes native no no . . . 11316 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11316 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11316 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 'zinc finger domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11316 1 2 coordination single . 1 'zinc finger domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11316 1 3 coordination single . 1 'zinc finger domain' 1 HIS 34 34 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 34 HIS NE2 . . . . ZN 11316 1 4 coordination single . 1 'zinc finger domain' 1 HIS 39 39 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 39 HIS NE2 . . . . ZN 11316 1 5 coordination single . 1 'zinc finger domain' 1 CYS 48 48 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 11316 1 6 coordination single . 1 'zinc finger domain' 1 CYS 51 51 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 51 CYS SG . . . . ZN 11316 1 7 coordination single . 1 'zinc finger domain' 1 HIS 64 64 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 64 HIS NE2 . . . . ZN 11316 1 8 coordination single . 1 'zinc finger domain' 1 HIS 69 69 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 69 HIS NE2 . . . . ZN 11316 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 HIS 64 64 HE2 . 64 HIS HE2 11316 1 . . 1 1 HIS 69 69 HE2 . 69 HIS HE2 11316 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 11316 1 . . 1 1 CYS 51 51 HG . 51 CYS HG 11316 1 . . 1 1 HIS 34 34 HE2 . 34 HIS HE2 11316 1 . . 1 1 HIS 39 39 HE2 . 39 HIS HE2 11316 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11316 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11316 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 2ct1 . . . . . . 11316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11316 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zinc finger 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 ; GSSGSSGRTHSGEKPYECYI CHARFTQSGTMKMHILQKHT ENVAKFHCPHCDTVIARKSD LGVHLRKQHSYSGPSSG ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CT1 . "Solution Structure Of The Zinc Finger Domain Of Transcriptional Repressor Ctcf Protein" . . . . . 100.00 77 100.00 100.00 1.94e-48 . . . . 11316 1 2 no REF XP_010765514 . "PREDICTED: transcriptional repressor CTCF-like [Notothenia coriiceps]" . . . . . 53.25 92 97.56 100.00 5.47e-20 . . . . 11316 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zinc finger domain' . 11316 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 . 11316 1 2 . SER . 11316 1 3 . SER . 11316 1 4 . GLY . 11316 1 5 . SER . 11316 1 6 . SER . 11316 1 7 . GLY . 11316 1 8 . ARG . 11316 1 9 . THR . 11316 1 10 . HIS . 11316 1 11 . SER . 11316 1 12 . GLY . 11316 1 13 . GLU . 11316 1 14 . LYS . 11316 1 15 . PRO . 11316 1 16 . TYR . 11316 1 17 . GLU . 11316 1 18 . CYS . 11316 1 19 . TYR . 11316 1 20 . ILE . 11316 1 21 . CYS . 11316 1 22 . HIS . 11316 1 23 . ALA . 11316 1 24 . ARG . 11316 1 25 . PHE . 11316 1 26 . THR . 11316 1 27 . GLN . 11316 1 28 . SER . 11316 1 29 . GLY . 11316 1 30 . THR . 11316 1 31 . MET . 11316 1 32 . LYS . 11316 1 33 . MET . 11316 1 34 . HIS . 11316 1 35 . ILE . 11316 1 36 . LEU . 11316 1 37 . GLN . 11316 1 38 . LYS . 11316 1 39 . HIS . 11316 1 40 . THR . 11316 1 41 . GLU . 11316 1 42 . ASN . 11316 1 43 . VAL . 11316 1 44 . ALA . 11316 1 45 . LYS . 11316 1 46 . PHE . 11316 1 47 . HIS . 11316 1 48 . CYS . 11316 1 49 . PRO . 11316 1 50 . HIS . 11316 1 51 . CYS . 11316 1 52 . ASP . 11316 1 53 . THR . 11316 1 54 . VAL . 11316 1 55 . ILE . 11316 1 56 . ALA . 11316 1 57 . ARG . 11316 1 58 . LYS . 11316 1 59 . SER . 11316 1 60 . ASP . 11316 1 61 . LEU . 11316 1 62 . GLY . 11316 1 63 . VAL . 11316 1 64 . HIS . 11316 1 65 . LEU . 11316 1 66 . ARG . 11316 1 67 . LYS . 11316 1 68 . GLN . 11316 1 69 . HIS . 11316 1 70 . SER . 11316 1 71 . TYR . 11316 1 72 . SER . 11316 1 73 . GLY . 11316 1 74 . PRO . 11316 1 75 . SER . 11316 1 76 . SER . 11316 1 77 . GLY . 11316 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 11316 1 . SER 2 2 11316 1 . SER 3 3 11316 1 . GLY 4 4 11316 1 . SER 5 5 11316 1 . SER 6 6 11316 1 . GLY 7 7 11316 1 . ARG 8 8 11316 1 . THR 9 9 11316 1 . HIS 10 10 11316 1 . SER 11 11 11316 1 . GLY 12 12 11316 1 . GLU 13 13 11316 1 . LYS 14 14 11316 1 . PRO 15 15 11316 1 . TYR 16 16 11316 1 . GLU 17 17 11316 1 . CYS 18 18 11316 1 . TYR 19 19 11316 1 . ILE 20 20 11316 1 . CYS 21 21 11316 1 . HIS 22 22 11316 1 . ALA 23 23 11316 1 . ARG 24 24 11316 1 . PHE 25 25 11316 1 . THR 26 26 11316 1 . GLN 27 27 11316 1 . SER 28 28 11316 1 . GLY 29 29 11316 1 . THR 30 30 11316 1 . MET 31 31 11316 1 . LYS 32 32 11316 1 . MET 33 33 11316 1 . HIS 34 34 11316 1 . ILE 35 35 11316 1 . LEU 36 36 11316 1 . GLN 37 37 11316 1 . LYS 38 38 11316 1 . HIS 39 39 11316 1 . THR 40 40 11316 1 . GLU 41 41 11316 1 . ASN 42 42 11316 1 . VAL 43 43 11316 1 . ALA 44 44 11316 1 . LYS 45 45 11316 1 . PHE 46 46 11316 1 . HIS 47 47 11316 1 . CYS 48 48 11316 1 . PRO 49 49 11316 1 . HIS 50 50 11316 1 . CYS 51 51 11316 1 . ASP 52 52 11316 1 . THR 53 53 11316 1 . VAL 54 54 11316 1 . ILE 55 55 11316 1 . ALA 56 56 11316 1 . ARG 57 57 11316 1 . LYS 58 58 11316 1 . SER 59 59 11316 1 . ASP 60 60 11316 1 . LEU 61 61 11316 1 . GLY 62 62 11316 1 . VAL 63 63 11316 1 . HIS 64 64 11316 1 . LEU 65 65 11316 1 . ARG 66 66 11316 1 . LYS 67 67 11316 1 . GLN 68 68 11316 1 . HIS 69 69 11316 1 . SER 70 70 11316 1 . TYR 71 71 11316 1 . SER 72 72 11316 1 . GLY 73 73 11316 1 . PRO 74 74 11316 1 . SER 75 75 11316 1 . SER 76 76 11316 1 . GLY 77 77 11316 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11316 _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 . 11316 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 11316 _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 . . . . . . . . . . . . . . . . . . . . . 11316 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 11316 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040809-05 . . . . . . 11316 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 11316 _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 11316 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11316 ZN [Zn++] SMILES CACTVS 3.341 11316 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11316 ZN [Zn+2] SMILES ACDLabs 10.04 11316 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11316 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11316 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 11316 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11316 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 . 11316 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11316 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2.46mM zinc finger domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZnCl2;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'zinc finger domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 2.46 . . mM . . . . 11316 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11316 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11316 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11316 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11316 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11316 1 7 H2O . . . . . . solvent 90 . . % . . . . 11316 1 8 D2O . . . . . . solvent 10 . . % . . . . 11316 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 11316 _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 11316 1 pH 7.0 0.05 pH 11316 1 pressure 1 0.001 atm 11316 1 temperature 298 0.1 K 11316 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11316 _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 . . 11316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11316 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11316 _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.' . . 11316 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11316 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11316 _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.' . . 11316 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11316 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11316 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11316 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11316 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11316 _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.' . . 11316 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11316 5 'structure solution' 11316 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 11316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11316 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 700 . . . 11316 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 11316 _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 . . . . . . . . . . . . . . . . 11316 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11316 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 11316 _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 . . . . . . . . . 11316 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11316 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11316 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 11316 _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 11316 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11316 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 . . 11316 1 2 $NMRPipe . . 11316 1 3 $NMRView . . 11316 1 4 $Kujira . . 11316 1 5 $CYANA . . 11316 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 8 8 ARG HA H 1 4.379 0.030 . 1 . . . . 8 ARG HA . 11316 1 2 . 1 1 8 8 ARG HB2 H 1 1.718 0.030 . 2 . . . . 8 ARG HB2 . 11316 1 3 . 1 1 8 8 ARG HB3 H 1 1.818 0.030 . 2 . . . . 8 ARG HB3 . 11316 1 4 . 1 1 8 8 ARG HD2 H 1 3.161 0.030 . 1 . . . . 8 ARG HD2 . 11316 1 5 . 1 1 8 8 ARG HD3 H 1 3.161 0.030 . 1 . . . . 8 ARG HD3 . 11316 1 6 . 1 1 8 8 ARG HG2 H 1 1.561 0.030 . 1 . . . . 8 ARG HG2 . 11316 1 7 . 1 1 8 8 ARG HG3 H 1 1.561 0.030 . 1 . . . . 8 ARG HG3 . 11316 1 8 . 1 1 8 8 ARG CA C 13 56.001 0.300 . 1 . . . . 8 ARG CA . 11316 1 9 . 1 1 8 8 ARG CB C 13 30.879 0.300 . 1 . . . . 8 ARG CB . 11316 1 10 . 1 1 8 8 ARG CD C 13 43.326 0.300 . 1 . . . . 8 ARG CD . 11316 1 11 . 1 1 8 8 ARG CG C 13 27.053 0.300 . 1 . . . . 8 ARG CG . 11316 1 12 . 1 1 9 9 THR HA H 1 4.295 0.030 . 1 . . . . 9 THR HA . 11316 1 13 . 1 1 9 9 THR HB H 1 4.143 0.030 . 1 . . . . 9 THR HB . 11316 1 14 . 1 1 9 9 THR HG21 H 1 1.124 0.030 . 1 . . . . 9 THR HG2 . 11316 1 15 . 1 1 9 9 THR HG22 H 1 1.124 0.030 . 1 . . . . 9 THR HG2 . 11316 1 16 . 1 1 9 9 THR HG23 H 1 1.124 0.030 . 1 . . . . 9 THR HG2 . 11316 1 17 . 1 1 9 9 THR CA C 13 61.906 0.300 . 1 . . . . 9 THR CA . 11316 1 18 . 1 1 9 9 THR CB C 13 69.905 0.300 . 1 . . . . 9 THR CB . 11316 1 19 . 1 1 9 9 THR CG2 C 13 21.548 0.300 . 1 . . . . 9 THR CG2 . 11316 1 20 . 1 1 10 10 HIS H H 1 8.179 0.030 . 1 . . . . 10 HIS H . 11316 1 21 . 1 1 10 10 HIS HA H 1 4.648 0.030 . 1 . . . . 10 HIS HA . 11316 1 22 . 1 1 10 10 HIS HB2 H 1 3.113 0.030 . 2 . . . . 10 HIS HB2 . 11316 1 23 . 1 1 10 10 HIS HB3 H 1 3.033 0.030 . 2 . . . . 10 HIS HB3 . 11316 1 24 . 1 1 10 10 HIS HD2 H 1 6.967 0.030 . 1 . . . . 10 HIS HD2 . 11316 1 25 . 1 1 10 10 HIS HE1 H 1 7.758 0.030 . 1 . . . . 10 HIS HE1 . 11316 1 26 . 1 1 10 10 HIS CA C 13 56.400 0.300 . 1 . . . . 10 HIS CA . 11316 1 27 . 1 1 10 10 HIS CB C 13 31.255 0.300 . 1 . . . . 10 HIS CB . 11316 1 28 . 1 1 10 10 HIS CD2 C 13 119.872 0.300 . 1 . . . . 10 HIS CD2 . 11316 1 29 . 1 1 10 10 HIS CE1 C 13 138.491 0.300 . 1 . . . . 10 HIS CE1 . 11316 1 30 . 1 1 10 10 HIS N N 15 122.991 0.300 . 1 . . . . 10 HIS N . 11316 1 31 . 1 1 11 11 SER HA H 1 4.374 0.030 . 1 . . . . 11 SER HA . 11316 1 32 . 1 1 11 11 SER HB2 H 1 3.824 0.030 . 1 . . . . 11 SER HB2 . 11316 1 33 . 1 1 11 11 SER HB3 H 1 3.824 0.030 . 1 . . . . 11 SER HB3 . 11316 1 34 . 1 1 11 11 SER C C 13 174.938 0.300 . 1 . . . . 11 SER C . 11316 1 35 . 1 1 11 11 SER CA C 13 59.017 0.300 . 1 . . . . 11 SER CA . 11316 1 36 . 1 1 11 11 SER CB C 13 63.579 0.300 . 1 . . . . 11 SER CB . 11316 1 37 . 1 1 12 12 GLY H H 1 8.450 0.030 . 1 . . . . 12 GLY H . 11316 1 38 . 1 1 12 12 GLY HA2 H 1 3.910 0.030 . 1 . . . . 12 GLY HA2 . 11316 1 39 . 1 1 12 12 GLY HA3 H 1 3.910 0.030 . 1 . . . . 12 GLY HA3 . 11316 1 40 . 1 1 12 12 GLY C C 13 174.027 0.300 . 1 . . . . 12 GLY C . 11316 1 41 . 1 1 12 12 GLY CA C 13 45.148 0.300 . 1 . . . . 12 GLY CA . 11316 1 42 . 1 1 12 12 GLY N N 15 110.983 0.300 . 1 . . . . 12 GLY N . 11316 1 43 . 1 1 13 13 GLU H H 1 8.201 0.030 . 1 . . . . 13 GLU H . 11316 1 44 . 1 1 13 13 GLU HA H 1 4.175 0.030 . 1 . . . . 13 GLU HA . 11316 1 45 . 1 1 13 13 GLU HB2 H 1 1.959 0.030 . 1 . . . . 13 GLU HB2 . 11316 1 46 . 1 1 13 13 GLU HB3 H 1 1.959 0.030 . 1 . . . . 13 GLU HB3 . 11316 1 47 . 1 1 13 13 GLU HG2 H 1 2.203 0.030 . 1 . . . . 13 GLU HG2 . 11316 1 48 . 1 1 13 13 GLU HG3 H 1 2.203 0.030 . 1 . . . . 13 GLU HG3 . 11316 1 49 . 1 1 13 13 GLU C C 13 176.421 0.300 . 1 . . . . 13 GLU C . 11316 1 50 . 1 1 13 13 GLU CA C 13 56.837 0.300 . 1 . . . . 13 GLU CA . 11316 1 51 . 1 1 13 13 GLU CB C 13 30.349 0.300 . 1 . . . . 13 GLU CB . 11316 1 52 . 1 1 13 13 GLU CG C 13 36.287 0.300 . 1 . . . . 13 GLU CG . 11316 1 53 . 1 1 13 13 GLU N N 15 120.257 0.300 . 1 . . . . 13 GLU N . 11316 1 54 . 1 1 14 14 LYS H H 1 8.409 0.030 . 1 . . . . 14 LYS H . 11316 1 55 . 1 1 14 14 LYS HA H 1 4.518 0.030 . 1 . . . . 14 LYS HA . 11316 1 56 . 1 1 14 14 LYS HB2 H 1 1.617 0.030 . 2 . . . . 14 LYS HB2 . 11316 1 57 . 1 1 14 14 LYS HB3 H 1 1.457 0.030 . 2 . . . . 14 LYS HB3 . 11316 1 58 . 1 1 14 14 LYS HD2 H 1 1.431 0.030 . 1 . . . . 14 LYS HD2 . 11316 1 59 . 1 1 14 14 LYS HD3 H 1 1.431 0.030 . 1 . . . . 14 LYS HD3 . 11316 1 60 . 1 1 14 14 LYS HE2 H 1 2.869 0.030 . 1 . . . . 14 LYS HE2 . 11316 1 61 . 1 1 14 14 LYS HE3 H 1 2.869 0.030 . 1 . . . . 14 LYS HE3 . 11316 1 62 . 1 1 14 14 LYS HG2 H 1 1.308 0.030 . 2 . . . . 14 LYS HG2 . 11316 1 63 . 1 1 14 14 LYS HG3 H 1 1.169 0.030 . 2 . . . . 14 LYS HG3 . 11316 1 64 . 1 1 14 14 LYS C C 13 174.233 0.300 . 1 . . . . 14 LYS C . 11316 1 65 . 1 1 14 14 LYS CA C 13 53.799 0.300 . 1 . . . . 14 LYS CA . 11316 1 66 . 1 1 14 14 LYS CB C 13 33.429 0.300 . 1 . . . . 14 LYS CB . 11316 1 67 . 1 1 14 14 LYS CD C 13 29.811 0.300 . 1 . . . . 14 LYS CD . 11316 1 68 . 1 1 14 14 LYS CE C 13 42.229 0.300 . 1 . . . . 14 LYS CE . 11316 1 69 . 1 1 14 14 LYS CG C 13 25.020 0.300 . 1 . . . . 14 LYS CG . 11316 1 70 . 1 1 14 14 LYS N N 15 121.432 0.300 . 1 . . . . 14 LYS N . 11316 1 71 . 1 1 15 15 PRO HA H 1 4.269 0.030 . 1 . . . . 15 PRO HA . 11316 1 72 . 1 1 15 15 PRO HB2 H 1 2.049 0.030 . 2 . . . . 15 PRO HB2 . 11316 1 73 . 1 1 15 15 PRO HB3 H 1 1.263 0.030 . 2 . . . . 15 PRO HB3 . 11316 1 74 . 1 1 15 15 PRO HD2 H 1 3.706 0.030 . 1 . . . . 15 PRO HD2 . 11316 1 75 . 1 1 15 15 PRO HD3 H 1 3.706 0.030 . 1 . . . . 15 PRO HD3 . 11316 1 76 . 1 1 15 15 PRO HG2 H 1 1.831 0.030 . 2 . . . . 15 PRO HG2 . 11316 1 77 . 1 1 15 15 PRO HG3 H 1 1.712 0.030 . 2 . . . . 15 PRO HG3 . 11316 1 78 . 1 1 15 15 PRO C C 13 176.306 0.300 . 1 . . . . 15 PRO C . 11316 1 79 . 1 1 15 15 PRO CA C 13 63.722 0.300 . 1 . . . . 15 PRO CA . 11316 1 80 . 1 1 15 15 PRO CB C 13 32.341 0.300 . 1 . . . . 15 PRO CB . 11316 1 81 . 1 1 15 15 PRO CD C 13 50.589 0.300 . 1 . . . . 15 PRO CD . 11316 1 82 . 1 1 15 15 PRO CG C 13 26.743 0.300 . 1 . . . . 15 PRO CG . 11316 1 83 . 1 1 16 16 TYR H H 1 7.763 0.030 . 1 . . . . 16 TYR H . 11316 1 84 . 1 1 16 16 TYR HA H 1 4.568 0.030 . 1 . . . . 16 TYR HA . 11316 1 85 . 1 1 16 16 TYR HB2 H 1 3.257 0.030 . 2 . . . . 16 TYR HB2 . 11316 1 86 . 1 1 16 16 TYR HB3 H 1 2.671 0.030 . 2 . . . . 16 TYR HB3 . 11316 1 87 . 1 1 16 16 TYR HD1 H 1 6.950 0.030 . 1 . . . . 16 TYR HD1 . 11316 1 88 . 1 1 16 16 TYR HD2 H 1 6.950 0.030 . 1 . . . . 16 TYR HD2 . 11316 1 89 . 1 1 16 16 TYR HE1 H 1 6.873 0.030 . 1 . . . . 16 TYR HE1 . 11316 1 90 . 1 1 16 16 TYR HE2 H 1 6.873 0.030 . 1 . . . . 16 TYR HE2 . 11316 1 91 . 1 1 16 16 TYR C C 13 174.056 0.300 . 1 . . . . 16 TYR C . 11316 1 92 . 1 1 16 16 TYR CA C 13 58.212 0.300 . 1 . . . . 16 TYR CA . 11316 1 93 . 1 1 16 16 TYR CB C 13 39.054 0.300 . 1 . . . . 16 TYR CB . 11316 1 94 . 1 1 16 16 TYR CD1 C 13 133.050 0.300 . 1 . . . . 16 TYR CD1 . 11316 1 95 . 1 1 16 16 TYR CD2 C 13 133.050 0.300 . 1 . . . . 16 TYR CD2 . 11316 1 96 . 1 1 16 16 TYR CE1 C 13 118.435 0.300 . 1 . . . . 16 TYR CE1 . 11316 1 97 . 1 1 16 16 TYR CE2 C 13 118.435 0.300 . 1 . . . . 16 TYR CE2 . 11316 1 98 . 1 1 16 16 TYR N N 15 117.604 0.300 . 1 . . . . 16 TYR N . 11316 1 99 . 1 1 17 17 GLU H H 1 8.750 0.030 . 1 . . . . 17 GLU H . 11316 1 100 . 1 1 17 17 GLU HA H 1 5.115 0.030 . 1 . . . . 17 GLU HA . 11316 1 101 . 1 1 17 17 GLU HB2 H 1 1.925 0.030 . 2 . . . . 17 GLU HB2 . 11316 1 102 . 1 1 17 17 GLU HB3 H 1 1.726 0.030 . 2 . . . . 17 GLU HB3 . 11316 1 103 . 1 1 17 17 GLU HG2 H 1 2.006 0.030 . 1 . . . . 17 GLU HG2 . 11316 1 104 . 1 1 17 17 GLU HG3 H 1 2.006 0.030 . 1 . . . . 17 GLU HG3 . 11316 1 105 . 1 1 17 17 GLU C C 13 175.314 0.300 . 1 . . . . 17 GLU C . 11316 1 106 . 1 1 17 17 GLU CA C 13 53.953 0.300 . 1 . . . . 17 GLU CA . 11316 1 107 . 1 1 17 17 GLU CB C 13 33.834 0.300 . 1 . . . . 17 GLU CB . 11316 1 108 . 1 1 17 17 GLU CG C 13 36.020 0.300 . 1 . . . . 17 GLU CG . 11316 1 109 . 1 1 17 17 GLU N N 15 124.808 0.300 . 1 . . . . 17 GLU N . 11316 1 110 . 1 1 18 18 CYS H H 1 9.309 0.030 . 1 . . . . 18 CYS H . 11316 1 111 . 1 1 18 18 CYS HA H 1 4.315 0.030 . 1 . . . . 18 CYS HA . 11316 1 112 . 1 1 18 18 CYS HB2 H 1 3.216 0.030 . 2 . . . . 18 CYS HB2 . 11316 1 113 . 1 1 18 18 CYS HB3 H 1 2.830 0.030 . 2 . . . . 18 CYS HB3 . 11316 1 114 . 1 1 18 18 CYS C C 13 177.338 0.300 . 1 . . . . 18 CYS C . 11316 1 115 . 1 1 18 18 CYS CA C 13 60.428 0.300 . 1 . . . . 18 CYS CA . 11316 1 116 . 1 1 18 18 CYS CB C 13 29.795 0.300 . 1 . . . . 18 CYS CB . 11316 1 117 . 1 1 18 18 CYS N N 15 128.339 0.300 . 1 . . . . 18 CYS N . 11316 1 118 . 1 1 19 19 TYR H H 1 8.193 0.030 . 1 . . . . 19 TYR H . 11316 1 119 . 1 1 19 19 TYR HA H 1 4.373 0.030 . 1 . . . . 19 TYR HA . 11316 1 120 . 1 1 19 19 TYR HB2 H 1 3.219 0.030 . 2 . . . . 19 TYR HB2 . 11316 1 121 . 1 1 19 19 TYR HB3 H 1 3.134 0.030 . 2 . . . . 19 TYR HB3 . 11316 1 122 . 1 1 19 19 TYR HD1 H 1 7.190 0.030 . 1 . . . . 19 TYR HD1 . 11316 1 123 . 1 1 19 19 TYR HD2 H 1 7.190 0.030 . 1 . . . . 19 TYR HD2 . 11316 1 124 . 1 1 19 19 TYR HE1 H 1 6.800 0.030 . 1 . . . . 19 TYR HE1 . 11316 1 125 . 1 1 19 19 TYR HE2 H 1 6.800 0.030 . 1 . . . . 19 TYR HE2 . 11316 1 126 . 1 1 19 19 TYR C C 13 174.066 0.300 . 1 . . . . 19 TYR C . 11316 1 127 . 1 1 19 19 TYR CA C 13 58.996 0.300 . 1 . . . . 19 TYR CA . 11316 1 128 . 1 1 19 19 TYR CB C 13 36.820 0.300 . 1 . . . . 19 TYR CB . 11316 1 129 . 1 1 19 19 TYR CD1 C 13 133.536 0.300 . 1 . . . . 19 TYR CD1 . 11316 1 130 . 1 1 19 19 TYR CD2 C 13 133.536 0.300 . 1 . . . . 19 TYR CD2 . 11316 1 131 . 1 1 19 19 TYR CE1 C 13 118.570 0.300 . 1 . . . . 19 TYR CE1 . 11316 1 132 . 1 1 19 19 TYR CE2 C 13 118.570 0.300 . 1 . . . . 19 TYR CE2 . 11316 1 133 . 1 1 19 19 TYR N N 15 129.433 0.300 . 1 . . . . 19 TYR N . 11316 1 134 . 1 1 20 20 ILE H H 1 8.137 0.030 . 1 . . . . 20 ILE H . 11316 1 135 . 1 1 20 20 ILE HA H 1 3.546 0.030 . 1 . . . . 20 ILE HA . 11316 1 136 . 1 1 20 20 ILE HB H 1 0.499 0.030 . 1 . . . . 20 ILE HB . 11316 1 137 . 1 1 20 20 ILE HD11 H 1 0.350 0.030 . 1 . . . . 20 ILE HD1 . 11316 1 138 . 1 1 20 20 ILE HD12 H 1 0.350 0.030 . 1 . . . . 20 ILE HD1 . 11316 1 139 . 1 1 20 20 ILE HD13 H 1 0.350 0.030 . 1 . . . . 20 ILE HD1 . 11316 1 140 . 1 1 20 20 ILE HG12 H 1 0.201 0.030 . 2 . . . . 20 ILE HG12 . 11316 1 141 . 1 1 20 20 ILE HG13 H 1 0.258 0.030 . 2 . . . . 20 ILE HG13 . 11316 1 142 . 1 1 20 20 ILE HG21 H 1 0.154 0.030 . 1 . . . . 20 ILE HG2 . 11316 1 143 . 1 1 20 20 ILE HG22 H 1 0.154 0.030 . 1 . . . . 20 ILE HG2 . 11316 1 144 . 1 1 20 20 ILE HG23 H 1 0.154 0.030 . 1 . . . . 20 ILE HG2 . 11316 1 145 . 1 1 20 20 ILE C C 13 176.113 0.300 . 1 . . . . 20 ILE C . 11316 1 146 . 1 1 20 20 ILE CA C 13 63.451 0.300 . 1 . . . . 20 ILE CA . 11316 1 147 . 1 1 20 20 ILE CB C 13 38.831 0.300 . 1 . . . . 20 ILE CB . 11316 1 148 . 1 1 20 20 ILE CD1 C 13 13.456 0.300 . 1 . . . . 20 ILE CD1 . 11316 1 149 . 1 1 20 20 ILE CG1 C 13 27.704 0.300 . 1 . . . . 20 ILE CG1 . 11316 1 150 . 1 1 20 20 ILE CG2 C 13 16.454 0.300 . 1 . . . . 20 ILE CG2 . 11316 1 151 . 1 1 20 20 ILE N N 15 123.162 0.300 . 1 . . . . 20 ILE N . 11316 1 152 . 1 1 21 21 CYS H H 1 8.271 0.030 . 1 . . . . 21 CYS H . 11316 1 153 . 1 1 21 21 CYS HA H 1 5.008 0.030 . 1 . . . . 21 CYS HA . 11316 1 154 . 1 1 21 21 CYS HB2 H 1 3.437 0.030 . 2 . . . . 21 CYS HB2 . 11316 1 155 . 1 1 21 21 CYS HB3 H 1 2.748 0.030 . 2 . . . . 21 CYS HB3 . 11316 1 156 . 1 1 21 21 CYS C C 13 176.208 0.300 . 1 . . . . 21 CYS C . 11316 1 157 . 1 1 21 21 CYS CA C 13 58.323 0.300 . 1 . . . . 21 CYS CA . 11316 1 158 . 1 1 21 21 CYS CB C 13 32.256 0.300 . 1 . . . . 21 CYS CB . 11316 1 159 . 1 1 21 21 CYS N N 15 117.178 0.300 . 1 . . . . 21 CYS N . 11316 1 160 . 1 1 22 22 HIS H H 1 7.783 0.030 . 1 . . . . 22 HIS H . 11316 1 161 . 1 1 22 22 HIS HA H 1 4.508 0.030 . 1 . . . . 22 HIS HA . 11316 1 162 . 1 1 22 22 HIS HB2 H 1 3.580 0.030 . 2 . . . . 22 HIS HB2 . 11316 1 163 . 1 1 22 22 HIS HB3 H 1 3.390 0.030 . 2 . . . . 22 HIS HB3 . 11316 1 164 . 1 1 22 22 HIS HD2 H 1 7.023 0.030 . 1 . . . . 22 HIS HD2 . 11316 1 165 . 1 1 22 22 HIS HE1 H 1 8.362 0.030 . 1 . . . . 22 HIS HE1 . 11316 1 166 . 1 1 22 22 HIS C C 13 173.297 0.300 . 1 . . . . 22 HIS C . 11316 1 167 . 1 1 22 22 HIS CA C 13 58.243 0.300 . 1 . . . . 22 HIS CA . 11316 1 168 . 1 1 22 22 HIS CB C 13 25.362 0.300 . 1 . . . . 22 HIS CB . 11316 1 169 . 1 1 22 22 HIS CD2 C 13 120.296 0.300 . 1 . . . . 22 HIS CD2 . 11316 1 170 . 1 1 22 22 HIS CE1 C 13 136.618 0.300 . 1 . . . . 22 HIS CE1 . 11316 1 171 . 1 1 22 22 HIS N N 15 116.064 0.300 . 1 . . . . 22 HIS N . 11316 1 172 . 1 1 23 23 ALA H H 1 8.158 0.030 . 1 . . . . 23 ALA H . 11316 1 173 . 1 1 23 23 ALA HA H 1 4.150 0.030 . 1 . . . . 23 ALA HA . 11316 1 174 . 1 1 23 23 ALA HB1 H 1 1.040 0.030 . 1 . . . . 23 ALA HB . 11316 1 175 . 1 1 23 23 ALA HB2 H 1 1.040 0.030 . 1 . . . . 23 ALA HB . 11316 1 176 . 1 1 23 23 ALA HB3 H 1 1.040 0.030 . 1 . . . . 23 ALA HB . 11316 1 177 . 1 1 23 23 ALA C C 13 175.481 0.300 . 1 . . . . 23 ALA C . 11316 1 178 . 1 1 23 23 ALA CA C 13 53.361 0.300 . 1 . . . . 23 ALA CA . 11316 1 179 . 1 1 23 23 ALA CB C 13 19.714 0.300 . 1 . . . . 23 ALA CB . 11316 1 180 . 1 1 23 23 ALA N N 15 124.506 0.300 . 1 . . . . 23 ALA N . 11316 1 181 . 1 1 24 24 ARG H H 1 7.866 0.030 . 1 . . . . 24 ARG H . 11316 1 182 . 1 1 24 24 ARG HA H 1 5.227 0.030 . 1 . . . . 24 ARG HA . 11316 1 183 . 1 1 24 24 ARG HB2 H 1 1.735 0.030 . 2 . . . . 24 ARG HB2 . 11316 1 184 . 1 1 24 24 ARG HB3 H 1 1.434 0.030 . 2 . . . . 24 ARG HB3 . 11316 1 185 . 1 1 24 24 ARG HD2 H 1 3.195 0.030 . 2 . . . . 24 ARG HD2 . 11316 1 186 . 1 1 24 24 ARG HD3 H 1 3.076 0.030 . 2 . . . . 24 ARG HD3 . 11316 1 187 . 1 1 24 24 ARG HG2 H 1 1.730 0.030 . 2 . . . . 24 ARG HG2 . 11316 1 188 . 1 1 24 24 ARG HG3 H 1 1.315 0.030 . 2 . . . . 24 ARG HG3 . 11316 1 189 . 1 1 24 24 ARG C C 13 175.718 0.300 . 1 . . . . 24 ARG C . 11316 1 190 . 1 1 24 24 ARG CA C 13 54.531 0.300 . 1 . . . . 24 ARG CA . 11316 1 191 . 1 1 24 24 ARG CB C 13 33.430 0.300 . 1 . . . . 24 ARG CB . 11316 1 192 . 1 1 24 24 ARG CD C 13 43.081 0.300 . 1 . . . . 24 ARG CD . 11316 1 193 . 1 1 24 24 ARG CG C 13 28.208 0.300 . 1 . . . . 24 ARG CG . 11316 1 194 . 1 1 24 24 ARG N N 15 117.895 0.300 . 1 . . . . 24 ARG N . 11316 1 195 . 1 1 25 25 PHE H H 1 8.809 0.030 . 1 . . . . 25 PHE H . 11316 1 196 . 1 1 25 25 PHE HA H 1 4.825 0.030 . 1 . . . . 25 PHE HA . 11316 1 197 . 1 1 25 25 PHE HB2 H 1 3.426 0.030 . 2 . . . . 25 PHE HB2 . 11316 1 198 . 1 1 25 25 PHE HB3 H 1 2.559 0.030 . 2 . . . . 25 PHE HB3 . 11316 1 199 . 1 1 25 25 PHE HD1 H 1 7.049 0.030 . 1 . . . . 25 PHE HD1 . 11316 1 200 . 1 1 25 25 PHE HD2 H 1 7.049 0.030 . 1 . . . . 25 PHE HD2 . 11316 1 201 . 1 1 25 25 PHE HE1 H 1 6.791 0.030 . 1 . . . . 25 PHE HE1 . 11316 1 202 . 1 1 25 25 PHE HE2 H 1 6.791 0.030 . 1 . . . . 25 PHE HE2 . 11316 1 203 . 1 1 25 25 PHE HZ H 1 5.847 0.030 . 1 . . . . 25 PHE HZ . 11316 1 204 . 1 1 25 25 PHE C C 13 175.571 0.300 . 1 . . . . 25 PHE C . 11316 1 205 . 1 1 25 25 PHE CA C 13 56.969 0.300 . 1 . . . . 25 PHE CA . 11316 1 206 . 1 1 25 25 PHE CB C 13 44.102 0.300 . 1 . . . . 25 PHE CB . 11316 1 207 . 1 1 25 25 PHE CD1 C 13 132.251 0.300 . 1 . . . . 25 PHE CD1 . 11316 1 208 . 1 1 25 25 PHE CD2 C 13 132.251 0.300 . 1 . . . . 25 PHE CD2 . 11316 1 209 . 1 1 25 25 PHE CE1 C 13 130.623 0.300 . 1 . . . . 25 PHE CE1 . 11316 1 210 . 1 1 25 25 PHE CE2 C 13 130.623 0.300 . 1 . . . . 25 PHE CE2 . 11316 1 211 . 1 1 25 25 PHE CZ C 13 128.842 0.300 . 1 . . . . 25 PHE CZ . 11316 1 212 . 1 1 25 25 PHE N N 15 116.760 0.300 . 1 . . . . 25 PHE N . 11316 1 213 . 1 1 26 26 THR H H 1 9.102 0.030 . 1 . . . . 26 THR H . 11316 1 214 . 1 1 26 26 THR HA H 1 4.507 0.030 . 1 . . . . 26 THR HA . 11316 1 215 . 1 1 26 26 THR HB H 1 4.482 0.030 . 1 . . . . 26 THR HB . 11316 1 216 . 1 1 26 26 THR HG21 H 1 1.410 0.030 . 1 . . . . 26 THR HG2 . 11316 1 217 . 1 1 26 26 THR HG22 H 1 1.410 0.030 . 1 . . . . 26 THR HG2 . 11316 1 218 . 1 1 26 26 THR HG23 H 1 1.410 0.030 . 1 . . . . 26 THR HG2 . 11316 1 219 . 1 1 26 26 THR C C 13 174.501 0.300 . 1 . . . . 26 THR C . 11316 1 220 . 1 1 26 26 THR CA C 13 63.991 0.300 . 1 . . . . 26 THR CA . 11316 1 221 . 1 1 26 26 THR CB C 13 69.667 0.300 . 1 . . . . 26 THR CB . 11316 1 222 . 1 1 26 26 THR CG2 C 13 22.825 0.300 . 1 . . . . 26 THR CG2 . 11316 1 223 . 1 1 26 26 THR N N 15 113.346 0.300 . 1 . . . . 26 THR N . 11316 1 224 . 1 1 27 27 GLN H H 1 7.328 0.030 . 1 . . . . 27 GLN H . 11316 1 225 . 1 1 27 27 GLN HA H 1 4.782 0.030 . 1 . . . . 27 GLN HA . 11316 1 226 . 1 1 27 27 GLN HB2 H 1 2.019 0.030 . 2 . . . . 27 GLN HB2 . 11316 1 227 . 1 1 27 27 GLN HB3 H 1 2.257 0.030 . 2 . . . . 27 GLN HB3 . 11316 1 228 . 1 1 27 27 GLN HE21 H 1 6.922 0.030 . 2 . . . . 27 GLN HE21 . 11316 1 229 . 1 1 27 27 GLN HE22 H 1 7.523 0.030 . 2 . . . . 27 GLN HE22 . 11316 1 230 . 1 1 27 27 GLN HG2 H 1 2.446 0.030 . 1 . . . . 27 GLN HG2 . 11316 1 231 . 1 1 27 27 GLN HG3 H 1 2.446 0.030 . 1 . . . . 27 GLN HG3 . 11316 1 232 . 1 1 27 27 GLN C C 13 175.500 0.300 . 1 . . . . 27 GLN C . 11316 1 233 . 1 1 27 27 GLN CA C 13 54.029 0.300 . 1 . . . . 27 GLN CA . 11316 1 234 . 1 1 27 27 GLN CB C 13 32.176 0.300 . 1 . . . . 27 GLN CB . 11316 1 235 . 1 1 27 27 GLN CG C 13 33.618 0.300 . 1 . . . . 27 GLN CG . 11316 1 236 . 1 1 27 27 GLN N N 15 115.999 0.300 . 1 . . . . 27 GLN N . 11316 1 237 . 1 1 27 27 GLN NE2 N 15 112.146 0.300 . 1 . . . . 27 GLN NE2 . 11316 1 238 . 1 1 28 28 SER H H 1 8.444 0.030 . 1 . . . . 28 SER H . 11316 1 239 . 1 1 28 28 SER HA H 1 3.102 0.030 . 1 . . . . 28 SER HA . 11316 1 240 . 1 1 28 28 SER HB2 H 1 3.253 0.030 . 2 . . . . 28 SER HB2 . 11316 1 241 . 1 1 28 28 SER HB3 H 1 3.425 0.030 . 2 . . . . 28 SER HB3 . 11316 1 242 . 1 1 28 28 SER C C 13 177.548 0.300 . 1 . . . . 28 SER C . 11316 1 243 . 1 1 28 28 SER CA C 13 60.824 0.300 . 1 . . . . 28 SER CA . 11316 1 244 . 1 1 28 28 SER CB C 13 62.114 0.300 . 1 . . . . 28 SER CB . 11316 1 245 . 1 1 28 28 SER N N 15 119.056 0.300 . 1 . . . . 28 SER N . 11316 1 246 . 1 1 29 29 GLY HA2 H 1 3.673 0.030 . 2 . . . . 29 GLY HA2 . 11316 1 247 . 1 1 29 29 GLY HA3 H 1 3.878 0.030 . 2 . . . . 29 GLY HA3 . 11316 1 248 . 1 1 29 29 GLY C C 13 176.602 0.300 . 1 . . . . 29 GLY C . 11316 1 249 . 1 1 29 29 GLY CA C 13 47.251 0.300 . 1 . . . . 29 GLY CA . 11316 1 250 . 1 1 30 30 THR H H 1 6.930 0.030 . 1 . . . . 30 THR H . 11316 1 251 . 1 1 30 30 THR HA H 1 3.874 0.030 . 1 . . . . 30 THR HA . 11316 1 252 . 1 1 30 30 THR HB H 1 4.129 0.030 . 1 . . . . 30 THR HB . 11316 1 253 . 1 1 30 30 THR HG21 H 1 1.357 0.030 . 1 . . . . 30 THR HG2 . 11316 1 254 . 1 1 30 30 THR HG22 H 1 1.357 0.030 . 1 . . . . 30 THR HG2 . 11316 1 255 . 1 1 30 30 THR HG23 H 1 1.357 0.030 . 1 . . . . 30 THR HG2 . 11316 1 256 . 1 1 30 30 THR C C 13 176.685 0.300 . 1 . . . . 30 THR C . 11316 1 257 . 1 1 30 30 THR CA C 13 64.974 0.300 . 1 . . . . 30 THR CA . 11316 1 258 . 1 1 30 30 THR CB C 13 68.078 0.300 . 1 . . . . 30 THR CB . 11316 1 259 . 1 1 30 30 THR CG2 C 13 23.658 0.300 . 1 . . . . 30 THR CG2 . 11316 1 260 . 1 1 30 30 THR N N 15 115.906 0.300 . 1 . . . . 30 THR N . 11316 1 261 . 1 1 31 31 MET H H 1 6.951 0.030 . 1 . . . . 31 MET H . 11316 1 262 . 1 1 31 31 MET HA H 1 2.403 0.030 . 1 . . . . 31 MET HA . 11316 1 263 . 1 1 31 31 MET HB2 H 1 2.259 0.030 . 2 . . . . 31 MET HB2 . 11316 1 264 . 1 1 31 31 MET HB3 H 1 1.468 0.030 . 2 . . . . 31 MET HB3 . 11316 1 265 . 1 1 31 31 MET HE1 H 1 2.157 0.030 . 1 . . . . 31 MET HE . 11316 1 266 . 1 1 31 31 MET HE2 H 1 2.157 0.030 . 1 . . . . 31 MET HE . 11316 1 267 . 1 1 31 31 MET HE3 H 1 2.157 0.030 . 1 . . . . 31 MET HE . 11316 1 268 . 1 1 31 31 MET HG2 H 1 2.101 0.030 . 2 . . . . 31 MET HG2 . 11316 1 269 . 1 1 31 31 MET HG3 H 1 2.213 0.030 . 2 . . . . 31 MET HG3 . 11316 1 270 . 1 1 31 31 MET C C 13 176.993 0.300 . 1 . . . . 31 MET C . 11316 1 271 . 1 1 31 31 MET CA C 13 58.835 0.300 . 1 . . . . 31 MET CA . 11316 1 272 . 1 1 31 31 MET CB C 13 31.815 0.300 . 1 . . . . 31 MET CB . 11316 1 273 . 1 1 31 31 MET CE C 13 17.187 0.300 . 1 . . . . 31 MET CE . 11316 1 274 . 1 1 31 31 MET CG C 13 30.895 0.300 . 1 . . . . 31 MET CG . 11316 1 275 . 1 1 31 31 MET N N 15 123.059 0.300 . 1 . . . . 31 MET N . 11316 1 276 . 1 1 32 32 LYS H H 1 8.288 0.030 . 1 . . . . 32 LYS H . 11316 1 277 . 1 1 32 32 LYS HA H 1 3.841 0.030 . 1 . . . . 32 LYS HA . 11316 1 278 . 1 1 32 32 LYS HB2 H 1 1.826 0.030 . 1 . . . . 32 LYS HB2 . 11316 1 279 . 1 1 32 32 LYS HB3 H 1 1.826 0.030 . 1 . . . . 32 LYS HB3 . 11316 1 280 . 1 1 32 32 LYS HD2 H 1 1.596 0.030 . 1 . . . . 32 LYS HD2 . 11316 1 281 . 1 1 32 32 LYS HD3 H 1 1.596 0.030 . 1 . . . . 32 LYS HD3 . 11316 1 282 . 1 1 32 32 LYS HE2 H 1 2.849 0.030 . 1 . . . . 32 LYS HE2 . 11316 1 283 . 1 1 32 32 LYS HE3 H 1 2.849 0.030 . 1 . . . . 32 LYS HE3 . 11316 1 284 . 1 1 32 32 LYS HG2 H 1 1.352 0.030 . 2 . . . . 32 LYS HG2 . 11316 1 285 . 1 1 32 32 LYS HG3 H 1 1.546 0.030 . 2 . . . . 32 LYS HG3 . 11316 1 286 . 1 1 32 32 LYS C C 13 179.423 0.300 . 1 . . . . 32 LYS C . 11316 1 287 . 1 1 32 32 LYS CA C 13 60.330 0.300 . 1 . . . . 32 LYS CA . 11316 1 288 . 1 1 32 32 LYS CB C 13 32.218 0.300 . 1 . . . . 32 LYS CB . 11316 1 289 . 1 1 32 32 LYS CD C 13 29.339 0.300 . 1 . . . . 32 LYS CD . 11316 1 290 . 1 1 32 32 LYS CE C 13 42.037 0.300 . 1 . . . . 32 LYS CE . 11316 1 291 . 1 1 32 32 LYS CG C 13 25.709 0.300 . 1 . . . . 32 LYS CG . 11316 1 292 . 1 1 32 32 LYS N N 15 119.245 0.300 . 1 . . . . 32 LYS N . 11316 1 293 . 1 1 33 33 MET H H 1 7.829 0.030 . 1 . . . . 33 MET H . 11316 1 294 . 1 1 33 33 MET HA H 1 4.191 0.030 . 1 . . . . 33 MET HA . 11316 1 295 . 1 1 33 33 MET HB2 H 1 2.565 0.030 . 2 . . . . 33 MET HB2 . 11316 1 296 . 1 1 33 33 MET HB3 H 1 2.038 0.030 . 2 . . . . 33 MET HB3 . 11316 1 297 . 1 1 33 33 MET HE1 H 1 2.003 0.030 . 1 . . . . 33 MET HE . 11316 1 298 . 1 1 33 33 MET HE2 H 1 2.003 0.030 . 1 . . . . 33 MET HE . 11316 1 299 . 1 1 33 33 MET HE3 H 1 2.003 0.030 . 1 . . . . 33 MET HE . 11316 1 300 . 1 1 33 33 MET HG2 H 1 2.565 0.030 . 1 . . . . 33 MET HG2 . 11316 1 301 . 1 1 33 33 MET HG3 H 1 2.565 0.030 . 1 . . . . 33 MET HG3 . 11316 1 302 . 1 1 33 33 MET C C 13 177.424 0.300 . 1 . . . . 33 MET C . 11316 1 303 . 1 1 33 33 MET CA C 13 57.779 0.300 . 1 . . . . 33 MET CA . 11316 1 304 . 1 1 33 33 MET CB C 13 31.815 0.300 . 1 . . . . 33 MET CB . 11316 1 305 . 1 1 33 33 MET CE C 13 16.813 0.300 . 1 . . . . 33 MET CE . 11316 1 306 . 1 1 33 33 MET CG C 13 31.848 0.300 . 1 . . . . 33 MET CG . 11316 1 307 . 1 1 33 33 MET N N 15 118.473 0.300 . 1 . . . . 33 MET N . 11316 1 308 . 1 1 34 34 HIS H H 1 7.669 0.030 . 1 . . . . 34 HIS H . 11316 1 309 . 1 1 34 34 HIS HA H 1 4.265 0.030 . 1 . . . . 34 HIS HA . 11316 1 310 . 1 1 34 34 HIS HB2 H 1 3.286 0.030 . 2 . . . . 34 HIS HB2 . 11316 1 311 . 1 1 34 34 HIS HB3 H 1 2.887 0.030 . 2 . . . . 34 HIS HB3 . 11316 1 312 . 1 1 34 34 HIS HD2 H 1 7.033 0.030 . 1 . . . . 34 HIS HD2 . 11316 1 313 . 1 1 34 34 HIS HE1 H 1 7.931 0.030 . 1 . . . . 34 HIS HE1 . 11316 1 314 . 1 1 34 34 HIS C C 13 176.376 0.300 . 1 . . . . 34 HIS C . 11316 1 315 . 1 1 34 34 HIS CA C 13 59.434 0.300 . 1 . . . . 34 HIS CA . 11316 1 316 . 1 1 34 34 HIS CB C 13 27.316 0.300 . 1 . . . . 34 HIS CB . 11316 1 317 . 1 1 34 34 HIS CD2 C 13 127.802 0.300 . 1 . . . . 34 HIS CD2 . 11316 1 318 . 1 1 34 34 HIS CE1 C 13 138.870 0.300 . 1 . . . . 34 HIS CE1 . 11316 1 319 . 1 1 34 34 HIS N N 15 119.785 0.300 . 1 . . . . 34 HIS N . 11316 1 320 . 1 1 35 35 ILE H H 1 8.144 0.030 . 1 . . . . 35 ILE H . 11316 1 321 . 1 1 35 35 ILE HA H 1 3.416 0.030 . 1 . . . . 35 ILE HA . 11316 1 322 . 1 1 35 35 ILE HB H 1 1.938 0.030 . 1 . . . . 35 ILE HB . 11316 1 323 . 1 1 35 35 ILE HD11 H 1 1.152 0.030 . 1 . . . . 35 ILE HD1 . 11316 1 324 . 1 1 35 35 ILE HD12 H 1 1.152 0.030 . 1 . . . . 35 ILE HD1 . 11316 1 325 . 1 1 35 35 ILE HD13 H 1 1.152 0.030 . 1 . . . . 35 ILE HD1 . 11316 1 326 . 1 1 35 35 ILE HG12 H 1 1.571 0.030 . 2 . . . . 35 ILE HG12 . 11316 1 327 . 1 1 35 35 ILE HG13 H 1 2.175 0.030 . 2 . . . . 35 ILE HG13 . 11316 1 328 . 1 1 35 35 ILE HG21 H 1 0.982 0.030 . 1 . . . . 35 ILE HG2 . 11316 1 329 . 1 1 35 35 ILE HG22 H 1 0.982 0.030 . 1 . . . . 35 ILE HG2 . 11316 1 330 . 1 1 35 35 ILE HG23 H 1 0.982 0.030 . 1 . . . . 35 ILE HG2 . 11316 1 331 . 1 1 35 35 ILE C C 13 178.507 0.300 . 1 . . . . 35 ILE C . 11316 1 332 . 1 1 35 35 ILE CA C 13 66.502 0.300 . 1 . . . . 35 ILE CA . 11316 1 333 . 1 1 35 35 ILE CB C 13 38.129 0.300 . 1 . . . . 35 ILE CB . 11316 1 334 . 1 1 35 35 ILE CD1 C 13 14.475 0.300 . 1 . . . . 35 ILE CD1 . 11316 1 335 . 1 1 35 35 ILE CG1 C 13 30.871 0.300 . 1 . . . . 35 ILE CG1 . 11316 1 336 . 1 1 35 35 ILE CG2 C 13 17.429 0.300 . 1 . . . . 35 ILE CG2 . 11316 1 337 . 1 1 35 35 ILE N N 15 120.426 0.300 . 1 . . . . 35 ILE N . 11316 1 338 . 1 1 36 36 LEU H H 1 7.557 0.030 . 1 . . . . 36 LEU H . 11316 1 339 . 1 1 36 36 LEU HA H 1 4.046 0.030 . 1 . . . . 36 LEU HA . 11316 1 340 . 1 1 36 36 LEU HB2 H 1 1.636 0.030 . 2 . . . . 36 LEU HB2 . 11316 1 341 . 1 1 36 36 LEU HB3 H 1 1.759 0.030 . 2 . . . . 36 LEU HB3 . 11316 1 342 . 1 1 36 36 LEU HD11 H 1 0.846 0.030 . 1 . . . . 36 LEU HD1 . 11316 1 343 . 1 1 36 36 LEU HD12 H 1 0.846 0.030 . 1 . . . . 36 LEU HD1 . 11316 1 344 . 1 1 36 36 LEU HD13 H 1 0.846 0.030 . 1 . . . . 36 LEU HD1 . 11316 1 345 . 1 1 36 36 LEU HD21 H 1 0.859 0.030 . 1 . . . . 36 LEU HD2 . 11316 1 346 . 1 1 36 36 LEU HD22 H 1 0.859 0.030 . 1 . . . . 36 LEU HD2 . 11316 1 347 . 1 1 36 36 LEU HD23 H 1 0.859 0.030 . 1 . . . . 36 LEU HD2 . 11316 1 348 . 1 1 36 36 LEU HG H 1 1.646 0.030 . 1 . . . . 36 LEU HG . 11316 1 349 . 1 1 36 36 LEU C C 13 178.699 0.300 . 1 . . . . 36 LEU C . 11316 1 350 . 1 1 36 36 LEU CA C 13 57.530 0.300 . 1 . . . . 36 LEU CA . 11316 1 351 . 1 1 36 36 LEU CB C 13 42.155 0.300 . 1 . . . . 36 LEU CB . 11316 1 352 . 1 1 36 36 LEU CD1 C 13 24.108 0.300 . 2 . . . . 36 LEU CD1 . 11316 1 353 . 1 1 36 36 LEU CD2 C 13 24.698 0.300 . 2 . . . . 36 LEU CD2 . 11316 1 354 . 1 1 36 36 LEU CG C 13 27.038 0.300 . 1 . . . . 36 LEU CG . 11316 1 355 . 1 1 36 36 LEU N N 15 119.046 0.300 . 1 . . . . 36 LEU N . 11316 1 356 . 1 1 37 37 GLN H H 1 8.127 0.030 . 1 . . . . 37 GLN H . 11316 1 357 . 1 1 37 37 GLN HA H 1 4.032 0.030 . 1 . . . . 37 GLN HA . 11316 1 358 . 1 1 37 37 GLN HB2 H 1 1.927 0.030 . 2 . . . . 37 GLN HB2 . 11316 1 359 . 1 1 37 37 GLN HB3 H 1 2.001 0.030 . 2 . . . . 37 GLN HB3 . 11316 1 360 . 1 1 37 37 GLN HE21 H 1 7.353 0.030 . 2 . . . . 37 GLN HE21 . 11316 1 361 . 1 1 37 37 GLN HE22 H 1 6.802 0.030 . 2 . . . . 37 GLN HE22 . 11316 1 362 . 1 1 37 37 GLN HG2 H 1 2.517 0.030 . 2 . . . . 37 GLN HG2 . 11316 1 363 . 1 1 37 37 GLN HG3 H 1 2.265 0.030 . 2 . . . . 37 GLN HG3 . 11316 1 364 . 1 1 37 37 GLN C C 13 178.296 0.300 . 1 . . . . 37 GLN C . 11316 1 365 . 1 1 37 37 GLN CA C 13 58.130 0.300 . 1 . . . . 37 GLN CA . 11316 1 366 . 1 1 37 37 GLN CB C 13 29.577 0.300 . 1 . . . . 37 GLN CB . 11316 1 367 . 1 1 37 37 GLN CG C 13 34.258 0.300 . 1 . . . . 37 GLN CG . 11316 1 368 . 1 1 37 37 GLN N N 15 114.901 0.300 . 1 . . . . 37 GLN N . 11316 1 369 . 1 1 37 37 GLN NE2 N 15 111.334 0.300 . 1 . . . . 37 GLN NE2 . 11316 1 370 . 1 1 38 38 LYS H H 1 8.321 0.030 . 1 . . . . 38 LYS H . 11316 1 371 . 1 1 38 38 LYS HA H 1 4.237 0.030 . 1 . . . . 38 LYS HA . 11316 1 372 . 1 1 38 38 LYS HB2 H 1 0.569 0.030 . 2 . . . . 38 LYS HB2 . 11316 1 373 . 1 1 38 38 LYS HB3 H 1 0.932 0.030 . 2 . . . . 38 LYS HB3 . 11316 1 374 . 1 1 38 38 LYS HD2 H 1 1.456 0.030 . 1 . . . . 38 LYS HD2 . 11316 1 375 . 1 1 38 38 LYS HD3 H 1 1.456 0.030 . 1 . . . . 38 LYS HD3 . 11316 1 376 . 1 1 38 38 LYS HE2 H 1 2.964 0.030 . 2 . . . . 38 LYS HE2 . 11316 1 377 . 1 1 38 38 LYS HE3 H 1 2.906 0.030 . 2 . . . . 38 LYS HE3 . 11316 1 378 . 1 1 38 38 LYS HG2 H 1 1.128 0.030 . 1 . . . . 38 LYS HG2 . 11316 1 379 . 1 1 38 38 LYS HG3 H 1 1.128 0.030 . 1 . . . . 38 LYS HG3 . 11316 1 380 . 1 1 38 38 LYS C C 13 177.381 0.300 . 1 . . . . 38 LYS C . 11316 1 381 . 1 1 38 38 LYS CA C 13 54.897 0.300 . 1 . . . . 38 LYS CA . 11316 1 382 . 1 1 38 38 LYS CB C 13 31.627 0.300 . 1 . . . . 38 LYS CB . 11316 1 383 . 1 1 38 38 LYS CD C 13 27.707 0.300 . 1 . . . . 38 LYS CD . 11316 1 384 . 1 1 38 38 LYS CE C 13 42.125 0.300 . 1 . . . . 38 LYS CE . 11316 1 385 . 1 1 38 38 LYS CG C 13 24.535 0.300 . 1 . . . . 38 LYS CG . 11316 1 386 . 1 1 38 38 LYS N N 15 113.838 0.300 . 1 . . . . 38 LYS N . 11316 1 387 . 1 1 39 39 HIS H H 1 7.603 0.030 . 1 . . . . 39 HIS H . 11316 1 388 . 1 1 39 39 HIS HA H 1 5.316 0.030 . 1 . . . . 39 HIS HA . 11316 1 389 . 1 1 39 39 HIS HB2 H 1 3.152 0.030 . 2 . . . . 39 HIS HB2 . 11316 1 390 . 1 1 39 39 HIS HB3 H 1 3.258 0.030 . 2 . . . . 39 HIS HB3 . 11316 1 391 . 1 1 39 39 HIS HD2 H 1 6.571 0.030 . 1 . . . . 39 HIS HD2 . 11316 1 392 . 1 1 39 39 HIS HE1 H 1 7.960 0.030 . 1 . . . . 39 HIS HE1 . 11316 1 393 . 1 1 39 39 HIS C C 13 174.849 0.300 . 1 . . . . 39 HIS C . 11316 1 394 . 1 1 39 39 HIS CA C 13 53.289 0.300 . 1 . . . . 39 HIS CA . 11316 1 395 . 1 1 39 39 HIS CB C 13 29.534 0.300 . 1 . . . . 39 HIS CB . 11316 1 396 . 1 1 39 39 HIS CD2 C 13 128.150 0.300 . 1 . . . . 39 HIS CD2 . 11316 1 397 . 1 1 39 39 HIS CE1 C 13 139.422 0.300 . 1 . . . . 39 HIS CE1 . 11316 1 398 . 1 1 39 39 HIS N N 15 115.328 0.300 . 1 . . . . 39 HIS N . 11316 1 399 . 1 1 40 40 THR H H 1 7.765 0.030 . 1 . . . . 40 THR H . 11316 1 400 . 1 1 40 40 THR HA H 1 4.308 0.030 . 1 . . . . 40 THR HA . 11316 1 401 . 1 1 40 40 THR HB H 1 4.249 0.030 . 1 . . . . 40 THR HB . 11316 1 402 . 1 1 40 40 THR HG21 H 1 1.204 0.030 . 1 . . . . 40 THR HG2 . 11316 1 403 . 1 1 40 40 THR HG22 H 1 1.204 0.030 . 1 . . . . 40 THR HG2 . 11316 1 404 . 1 1 40 40 THR HG23 H 1 1.204 0.030 . 1 . . . . 40 THR HG2 . 11316 1 405 . 1 1 40 40 THR C C 13 174.677 0.300 . 1 . . . . 40 THR C . 11316 1 406 . 1 1 40 40 THR CA C 13 63.087 0.300 . 1 . . . . 40 THR CA . 11316 1 407 . 1 1 40 40 THR CB C 13 69.709 0.300 . 1 . . . . 40 THR CB . 11316 1 408 . 1 1 40 40 THR CG2 C 13 21.656 0.300 . 1 . . . . 40 THR CG2 . 11316 1 409 . 1 1 40 40 THR N N 15 114.008 0.300 . 1 . . . . 40 THR N . 11316 1 410 . 1 1 41 41 GLU H H 1 8.728 0.030 . 1 . . . . 41 GLU H . 11316 1 411 . 1 1 41 41 GLU HA H 1 4.270 0.030 . 1 . . . . 41 GLU HA . 11316 1 412 . 1 1 41 41 GLU HB2 H 1 1.917 0.030 . 2 . . . . 41 GLU HB2 . 11316 1 413 . 1 1 41 41 GLU HB3 H 1 2.033 0.030 . 2 . . . . 41 GLU HB3 . 11316 1 414 . 1 1 41 41 GLU HG2 H 1 2.256 0.030 . 2 . . . . 41 GLU HG2 . 11316 1 415 . 1 1 41 41 GLU HG3 H 1 2.209 0.030 . 2 . . . . 41 GLU HG3 . 11316 1 416 . 1 1 41 41 GLU C C 13 176.239 0.300 . 1 . . . . 41 GLU C . 11316 1 417 . 1 1 41 41 GLU CA C 13 56.891 0.300 . 1 . . . . 41 GLU CA . 11316 1 418 . 1 1 41 41 GLU CB C 13 30.203 0.300 . 1 . . . . 41 GLU CB . 11316 1 419 . 1 1 41 41 GLU CG C 13 36.289 0.300 . 1 . . . . 41 GLU CG . 11316 1 420 . 1 1 41 41 GLU N N 15 123.078 0.300 . 1 . . . . 41 GLU N . 11316 1 421 . 1 1 42 42 ASN H H 1 8.447 0.030 . 1 . . . . 42 ASN H . 11316 1 422 . 1 1 42 42 ASN HA H 1 4.654 0.030 . 1 . . . . 42 ASN HA . 11316 1 423 . 1 1 42 42 ASN HB2 H 1 2.673 0.030 . 2 . . . . 42 ASN HB2 . 11316 1 424 . 1 1 42 42 ASN HB3 H 1 2.823 0.030 . 2 . . . . 42 ASN HB3 . 11316 1 425 . 1 1 42 42 ASN HD21 H 1 6.912 0.030 . 2 . . . . 42 ASN HD21 . 11316 1 426 . 1 1 42 42 ASN HD22 H 1 7.568 0.030 . 2 . . . . 42 ASN HD22 . 11316 1 427 . 1 1 42 42 ASN C C 13 174.934 0.300 . 1 . . . . 42 ASN C . 11316 1 428 . 1 1 42 42 ASN CA C 13 53.678 0.300 . 1 . . . . 42 ASN CA . 11316 1 429 . 1 1 42 42 ASN CB C 13 38.860 0.300 . 1 . . . . 42 ASN CB . 11316 1 430 . 1 1 42 42 ASN N N 15 119.338 0.300 . 1 . . . . 42 ASN N . 11316 1 431 . 1 1 42 42 ASN ND2 N 15 112.730 0.300 . 1 . . . . 42 ASN ND2 . 11316 1 432 . 1 1 43 43 VAL H H 1 7.855 0.030 . 1 . . . . 43 VAL H . 11316 1 433 . 1 1 43 43 VAL HA H 1 4.115 0.030 . 1 . . . . 43 VAL HA . 11316 1 434 . 1 1 43 43 VAL HB H 1 2.063 0.030 . 1 . . . . 43 VAL HB . 11316 1 435 . 1 1 43 43 VAL HG11 H 1 0.852 0.030 . 1 . . . . 43 VAL HG1 . 11316 1 436 . 1 1 43 43 VAL HG12 H 1 0.852 0.030 . 1 . . . . 43 VAL HG1 . 11316 1 437 . 1 1 43 43 VAL HG13 H 1 0.852 0.030 . 1 . . . . 43 VAL HG1 . 11316 1 438 . 1 1 43 43 VAL HG21 H 1 0.856 0.030 . 1 . . . . 43 VAL HG2 . 11316 1 439 . 1 1 43 43 VAL HG22 H 1 0.856 0.030 . 1 . . . . 43 VAL HG2 . 11316 1 440 . 1 1 43 43 VAL HG23 H 1 0.856 0.030 . 1 . . . . 43 VAL HG2 . 11316 1 441 . 1 1 43 43 VAL C C 13 175.444 0.300 . 1 . . . . 43 VAL C . 11316 1 442 . 1 1 43 43 VAL CA C 13 62.022 0.300 . 1 . . . . 43 VAL CA . 11316 1 443 . 1 1 43 43 VAL CB C 13 33.024 0.300 . 1 . . . . 43 VAL CB . 11316 1 444 . 1 1 43 43 VAL CG1 C 13 20.416 0.300 . 2 . . . . 43 VAL CG1 . 11316 1 445 . 1 1 43 43 VAL CG2 C 13 21.337 0.300 . 2 . . . . 43 VAL CG2 . 11316 1 446 . 1 1 43 43 VAL N N 15 119.170 0.300 . 1 . . . . 43 VAL N . 11316 1 447 . 1 1 44 44 ALA H H 1 8.284 0.030 . 1 . . . . 44 ALA H . 11316 1 448 . 1 1 44 44 ALA HA H 1 4.265 0.030 . 1 . . . . 44 ALA HA . 11316 1 449 . 1 1 44 44 ALA HB1 H 1 1.295 0.030 . 1 . . . . 44 ALA HB . 11316 1 450 . 1 1 44 44 ALA HB2 H 1 1.295 0.030 . 1 . . . . 44 ALA HB . 11316 1 451 . 1 1 44 44 ALA HB3 H 1 1.295 0.030 . 1 . . . . 44 ALA HB . 11316 1 452 . 1 1 44 44 ALA C C 13 176.670 0.300 . 1 . . . . 44 ALA C . 11316 1 453 . 1 1 44 44 ALA CA C 13 52.322 0.300 . 1 . . . . 44 ALA CA . 11316 1 454 . 1 1 44 44 ALA CB C 13 19.445 0.300 . 1 . . . . 44 ALA CB . 11316 1 455 . 1 1 44 44 ALA N N 15 127.392 0.300 . 1 . . . . 44 ALA N . 11316 1 456 . 1 1 45 45 LYS H H 1 7.739 0.030 . 1 . . . . 45 LYS H . 11316 1 457 . 1 1 45 45 LYS HA H 1 4.222 0.030 . 1 . . . . 45 LYS HA . 11316 1 458 . 1 1 45 45 LYS HB2 H 1 1.489 0.030 . 1 . . . . 45 LYS HB2 . 11316 1 459 . 1 1 45 45 LYS HB3 H 1 1.489 0.030 . 1 . . . . 45 LYS HB3 . 11316 1 460 . 1 1 45 45 LYS HD2 H 1 1.511 0.030 . 1 . . . . 45 LYS HD2 . 11316 1 461 . 1 1 45 45 LYS HD3 H 1 1.511 0.030 . 1 . . . . 45 LYS HD3 . 11316 1 462 . 1 1 45 45 LYS HE2 H 1 2.886 0.030 . 1 . . . . 45 LYS HE2 . 11316 1 463 . 1 1 45 45 LYS HE3 H 1 2.886 0.030 . 1 . . . . 45 LYS HE3 . 11316 1 464 . 1 1 45 45 LYS HG2 H 1 1.176 0.030 . 2 . . . . 45 LYS HG2 . 11316 1 465 . 1 1 45 45 LYS HG3 H 1 1.255 0.030 . 2 . . . . 45 LYS HG3 . 11316 1 466 . 1 1 45 45 LYS C C 13 174.998 0.300 . 1 . . . . 45 LYS C . 11316 1 467 . 1 1 45 45 LYS CA C 13 55.593 0.300 . 1 . . . . 45 LYS CA . 11316 1 468 . 1 1 45 45 LYS CB C 13 33.996 0.300 . 1 . . . . 45 LYS CB . 11316 1 469 . 1 1 45 45 LYS CD C 13 29.183 0.300 . 1 . . . . 45 LYS CD . 11316 1 470 . 1 1 45 45 LYS CE C 13 42.144 0.300 . 1 . . . . 45 LYS CE . 11316 1 471 . 1 1 45 45 LYS CG C 13 24.748 0.300 . 1 . . . . 45 LYS CG . 11316 1 472 . 1 1 45 45 LYS N N 15 118.588 0.300 . 1 . . . . 45 LYS N . 11316 1 473 . 1 1 46 46 PHE H H 1 8.367 0.030 . 1 . . . . 46 PHE H . 11316 1 474 . 1 1 46 46 PHE HA H 1 4.642 0.030 . 1 . . . . 46 PHE HA . 11316 1 475 . 1 1 46 46 PHE HB2 H 1 2.828 0.030 . 2 . . . . 46 PHE HB2 . 11316 1 476 . 1 1 46 46 PHE HB3 H 1 2.928 0.030 . 2 . . . . 46 PHE HB3 . 11316 1 477 . 1 1 46 46 PHE HD1 H 1 7.101 0.030 . 1 . . . . 46 PHE HD1 . 11316 1 478 . 1 1 46 46 PHE HD2 H 1 7.101 0.030 . 1 . . . . 46 PHE HD2 . 11316 1 479 . 1 1 46 46 PHE HE1 H 1 7.270 0.030 . 1 . . . . 46 PHE HE1 . 11316 1 480 . 1 1 46 46 PHE HE2 H 1 7.270 0.030 . 1 . . . . 46 PHE HE2 . 11316 1 481 . 1 1 46 46 PHE HZ H 1 7.270 0.030 . 1 . . . . 46 PHE HZ . 11316 1 482 . 1 1 46 46 PHE C C 13 173.990 0.300 . 1 . . . . 46 PHE C . 11316 1 483 . 1 1 46 46 PHE CA C 13 56.978 0.300 . 1 . . . . 46 PHE CA . 11316 1 484 . 1 1 46 46 PHE CB C 13 40.307 0.300 . 1 . . . . 46 PHE CB . 11316 1 485 . 1 1 46 46 PHE CD1 C 13 131.914 0.300 . 1 . . . . 46 PHE CD1 . 11316 1 486 . 1 1 46 46 PHE CD2 C 13 131.914 0.300 . 1 . . . . 46 PHE CD2 . 11316 1 487 . 1 1 46 46 PHE CE1 C 13 131.249 0.300 . 1 . . . . 46 PHE CE1 . 11316 1 488 . 1 1 46 46 PHE CE2 C 13 131.249 0.300 . 1 . . . . 46 PHE CE2 . 11316 1 489 . 1 1 46 46 PHE CZ C 13 129.704 0.300 . 1 . . . . 46 PHE CZ . 11316 1 490 . 1 1 46 46 PHE N N 15 119.982 0.300 . 1 . . . . 46 PHE N . 11316 1 491 . 1 1 47 47 HIS H H 1 8.466 0.030 . 1 . . . . 47 HIS H . 11316 1 492 . 1 1 47 47 HIS HA H 1 4.713 0.030 . 1 . . . . 47 HIS HA . 11316 1 493 . 1 1 47 47 HIS HB2 H 1 2.970 0.030 . 2 . . . . 47 HIS HB2 . 11316 1 494 . 1 1 47 47 HIS HB3 H 1 2.841 0.030 . 2 . . . . 47 HIS HB3 . 11316 1 495 . 1 1 47 47 HIS HD2 H 1 6.893 0.030 . 1 . . . . 47 HIS HD2 . 11316 1 496 . 1 1 47 47 HIS HE1 H 1 7.893 0.030 . 1 . . . . 47 HIS HE1 . 11316 1 497 . 1 1 47 47 HIS C C 13 174.227 0.300 . 1 . . . . 47 HIS C . 11316 1 498 . 1 1 47 47 HIS CA C 13 55.135 0.300 . 1 . . . . 47 HIS CA . 11316 1 499 . 1 1 47 47 HIS CB C 13 30.857 0.300 . 1 . . . . 47 HIS CB . 11316 1 500 . 1 1 47 47 HIS CD2 C 13 121.690 0.300 . 1 . . . . 47 HIS CD2 . 11316 1 501 . 1 1 47 47 HIS CE1 C 13 137.518 0.300 . 1 . . . . 47 HIS CE1 . 11316 1 502 . 1 1 47 47 HIS N N 15 120.819 0.300 . 1 . . . . 47 HIS N . 11316 1 503 . 1 1 48 48 CYS H H 1 8.705 0.030 . 1 . . . . 48 CYS H . 11316 1 504 . 1 1 48 48 CYS HA H 1 4.500 0.030 . 1 . . . . 48 CYS HA . 11316 1 505 . 1 1 48 48 CYS HB2 H 1 2.439 0.030 . 2 . . . . 48 CYS HB2 . 11316 1 506 . 1 1 48 48 CYS HB3 H 1 3.248 0.030 . 2 . . . . 48 CYS HB3 . 11316 1 507 . 1 1 48 48 CYS C C 13 175.325 0.300 . 1 . . . . 48 CYS C . 11316 1 508 . 1 1 48 48 CYS CA C 13 56.978 0.300 . 1 . . . . 48 CYS CA . 11316 1 509 . 1 1 48 48 CYS CB C 13 30.159 0.300 . 1 . . . . 48 CYS CB . 11316 1 510 . 1 1 48 48 CYS N N 15 126.434 0.300 . 1 . . . . 48 CYS N . 11316 1 511 . 1 1 49 49 PRO HA H 1 4.330 0.030 . 1 . . . . 49 PRO HA . 11316 1 512 . 1 1 49 49 PRO HB2 H 1 2.105 0.030 . 2 . . . . 49 PRO HB2 . 11316 1 513 . 1 1 49 49 PRO HB3 H 1 1.214 0.030 . 2 . . . . 49 PRO HB3 . 11316 1 514 . 1 1 49 49 PRO HD2 H 1 3.819 0.030 . 2 . . . . 49 PRO HD2 . 11316 1 515 . 1 1 49 49 PRO HD3 H 1 4.117 0.030 . 2 . . . . 49 PRO HD3 . 11316 1 516 . 1 1 49 49 PRO HG2 H 1 1.337 0.030 . 2 . . . . 49 PRO HG2 . 11316 1 517 . 1 1 49 49 PRO HG3 H 1 1.845 0.030 . 2 . . . . 49 PRO HG3 . 11316 1 518 . 1 1 49 49 PRO C C 13 176.556 0.300 . 1 . . . . 49 PRO C . 11316 1 519 . 1 1 49 49 PRO CA C 13 63.860 0.300 . 1 . . . . 49 PRO CA . 11316 1 520 . 1 1 49 49 PRO CB C 13 32.021 0.300 . 1 . . . . 49 PRO CB . 11316 1 521 . 1 1 49 49 PRO CD C 13 51.164 0.300 . 1 . . . . 49 PRO CD . 11316 1 522 . 1 1 49 49 PRO CG C 13 26.327 0.300 . 1 . . . . 49 PRO CG . 11316 1 523 . 1 1 50 50 HIS H H 1 9.309 0.030 . 1 . . . . 50 HIS H . 11316 1 524 . 1 1 50 50 HIS HA H 1 4.692 0.030 . 1 . . . . 50 HIS HA . 11316 1 525 . 1 1 50 50 HIS HB2 H 1 2.711 0.030 . 2 . . . . 50 HIS HB2 . 11316 1 526 . 1 1 50 50 HIS HB3 H 1 1.554 0.030 . 2 . . . . 50 HIS HB3 . 11316 1 527 . 1 1 50 50 HIS HD2 H 1 6.311 0.030 . 1 . . . . 50 HIS HD2 . 11316 1 528 . 1 1 50 50 HIS HE1 H 1 7.652 0.030 . 1 . . . . 50 HIS HE1 . 11316 1 529 . 1 1 50 50 HIS C C 13 175.155 0.300 . 1 . . . . 50 HIS C . 11316 1 530 . 1 1 50 50 HIS CA C 13 56.017 0.300 . 1 . . . . 50 HIS CA . 11316 1 531 . 1 1 50 50 HIS CB C 13 30.852 0.300 . 1 . . . . 50 HIS CB . 11316 1 532 . 1 1 50 50 HIS CD2 C 13 121.855 0.300 . 1 . . . . 50 HIS CD2 . 11316 1 533 . 1 1 50 50 HIS CE1 C 13 139.439 0.300 . 1 . . . . 50 HIS CE1 . 11316 1 534 . 1 1 50 50 HIS N N 15 119.004 0.300 . 1 . . . . 50 HIS N . 11316 1 535 . 1 1 51 51 CYS H H 1 7.969 0.030 . 1 . . . . 51 CYS H . 11316 1 536 . 1 1 51 51 CYS HA H 1 5.075 0.030 . 1 . . . . 51 CYS HA . 11316 1 537 . 1 1 51 51 CYS HB2 H 1 3.429 0.030 . 2 . . . . 51 CYS HB2 . 11316 1 538 . 1 1 51 51 CYS HB3 H 1 3.213 0.030 . 2 . . . . 51 CYS HB3 . 11316 1 539 . 1 1 51 51 CYS C C 13 173.725 0.300 . 1 . . . . 51 CYS C . 11316 1 540 . 1 1 51 51 CYS CA C 13 58.589 0.300 . 1 . . . . 51 CYS CA . 11316 1 541 . 1 1 51 51 CYS CB C 13 30.951 0.300 . 1 . . . . 51 CYS CB . 11316 1 542 . 1 1 51 51 CYS N N 15 118.194 0.300 . 1 . . . . 51 CYS N . 11316 1 543 . 1 1 52 52 ASP H H 1 8.194 0.030 . 1 . . . . 52 ASP H . 11316 1 544 . 1 1 52 52 ASP HA H 1 4.709 0.030 . 1 . . . . 52 ASP HA . 11316 1 545 . 1 1 52 52 ASP HB2 H 1 2.849 0.030 . 2 . . . . 52 ASP HB2 . 11316 1 546 . 1 1 52 52 ASP HB3 H 1 2.679 0.030 . 2 . . . . 52 ASP HB3 . 11316 1 547 . 1 1 52 52 ASP C C 13 175.963 0.300 . 1 . . . . 52 ASP C . 11316 1 548 . 1 1 52 52 ASP CA C 13 54.909 0.300 . 1 . . . . 52 ASP CA . 11316 1 549 . 1 1 52 52 ASP CB C 13 40.792 0.300 . 1 . . . . 52 ASP CB . 11316 1 550 . 1 1 52 52 ASP N N 15 117.711 0.300 . 1 . . . . 52 ASP N . 11316 1 551 . 1 1 53 53 THR H H 1 8.331 0.030 . 1 . . . . 53 THR H . 11316 1 552 . 1 1 53 53 THR HA H 1 4.077 0.030 . 1 . . . . 53 THR HA . 11316 1 553 . 1 1 53 53 THR HB H 1 3.707 0.030 . 1 . . . . 53 THR HB . 11316 1 554 . 1 1 53 53 THR HG21 H 1 0.768 0.030 . 1 . . . . 53 THR HG2 . 11316 1 555 . 1 1 53 53 THR HG22 H 1 0.768 0.030 . 1 . . . . 53 THR HG2 . 11316 1 556 . 1 1 53 53 THR HG23 H 1 0.768 0.030 . 1 . . . . 53 THR HG2 . 11316 1 557 . 1 1 53 53 THR CA C 13 64.659 0.300 . 1 . . . . 53 THR CA . 11316 1 558 . 1 1 53 53 THR CB C 13 69.418 0.300 . 1 . . . . 53 THR CB . 11316 1 559 . 1 1 53 53 THR CG2 C 13 20.834 0.300 . 1 . . . . 53 THR CG2 . 11316 1 560 . 1 1 53 53 THR N N 15 119.645 0.300 . 1 . . . . 53 THR N . 11316 1 561 . 1 1 54 54 VAL H H 1 8.262 0.030 . 1 . . . . 54 VAL H . 11316 1 562 . 1 1 54 54 VAL HA H 1 4.053 0.030 . 1 . . . . 54 VAL HA . 11316 1 563 . 1 1 54 54 VAL HB H 1 1.758 0.030 . 1 . . . . 54 VAL HB . 11316 1 564 . 1 1 54 54 VAL HG11 H 1 0.608 0.030 . 1 . . . . 54 VAL HG1 . 11316 1 565 . 1 1 54 54 VAL HG12 H 1 0.608 0.030 . 1 . . . . 54 VAL HG1 . 11316 1 566 . 1 1 54 54 VAL HG13 H 1 0.608 0.030 . 1 . . . . 54 VAL HG1 . 11316 1 567 . 1 1 54 54 VAL HG21 H 1 0.678 0.030 . 1 . . . . 54 VAL HG2 . 11316 1 568 . 1 1 54 54 VAL HG22 H 1 0.678 0.030 . 1 . . . . 54 VAL HG2 . 11316 1 569 . 1 1 54 54 VAL HG23 H 1 0.678 0.030 . 1 . . . . 54 VAL HG2 . 11316 1 570 . 1 1 54 54 VAL C C 13 175.136 0.300 . 1 . . . . 54 VAL C . 11316 1 571 . 1 1 54 54 VAL CA C 13 62.457 0.300 . 1 . . . . 54 VAL CA . 11316 1 572 . 1 1 54 54 VAL CB C 13 32.259 0.300 . 1 . . . . 54 VAL CB . 11316 1 573 . 1 1 54 54 VAL CG1 C 13 21.300 0.300 . 2 . . . . 54 VAL CG1 . 11316 1 574 . 1 1 54 54 VAL CG2 C 13 21.364 0.300 . 2 . . . . 54 VAL CG2 . 11316 1 575 . 1 1 54 54 VAL N N 15 126.890 0.300 . 1 . . . . 54 VAL N . 11316 1 576 . 1 1 55 55 ILE H H 1 8.628 0.030 . 1 . . . . 55 ILE H . 11316 1 577 . 1 1 55 55 ILE HA H 1 4.236 0.030 . 1 . . . . 55 ILE HA . 11316 1 578 . 1 1 55 55 ILE HB H 1 1.609 0.030 . 1 . . . . 55 ILE HB . 11316 1 579 . 1 1 55 55 ILE HD11 H 1 0.347 0.030 . 1 . . . . 55 ILE HD1 . 11316 1 580 . 1 1 55 55 ILE HD12 H 1 0.347 0.030 . 1 . . . . 55 ILE HD1 . 11316 1 581 . 1 1 55 55 ILE HD13 H 1 0.347 0.030 . 1 . . . . 55 ILE HD1 . 11316 1 582 . 1 1 55 55 ILE HG12 H 1 1.071 0.030 . 1 . . . . 55 ILE HG12 . 11316 1 583 . 1 1 55 55 ILE HG13 H 1 1.071 0.030 . 1 . . . . 55 ILE HG13 . 11316 1 584 . 1 1 55 55 ILE HG21 H 1 0.818 0.030 . 1 . . . . 55 ILE HG2 . 11316 1 585 . 1 1 55 55 ILE HG22 H 1 0.818 0.030 . 1 . . . . 55 ILE HG2 . 11316 1 586 . 1 1 55 55 ILE HG23 H 1 0.818 0.030 . 1 . . . . 55 ILE HG2 . 11316 1 587 . 1 1 55 55 ILE C C 13 175.224 0.300 . 1 . . . . 55 ILE C . 11316 1 588 . 1 1 55 55 ILE CA C 13 59.018 0.300 . 1 . . . . 55 ILE CA . 11316 1 589 . 1 1 55 55 ILE CB C 13 39.187 0.300 . 1 . . . . 55 ILE CB . 11316 1 590 . 1 1 55 55 ILE CD1 C 13 11.753 0.300 . 1 . . . . 55 ILE CD1 . 11316 1 591 . 1 1 55 55 ILE CG1 C 13 26.964 0.300 . 1 . . . . 55 ILE CG1 . 11316 1 592 . 1 1 55 55 ILE CG2 C 13 18.676 0.300 . 1 . . . . 55 ILE CG2 . 11316 1 593 . 1 1 55 55 ILE N N 15 129.316 0.300 . 1 . . . . 55 ILE N . 11316 1 594 . 1 1 56 56 ALA H H 1 8.684 0.030 . 1 . . . . 56 ALA H . 11316 1 595 . 1 1 56 56 ALA HA H 1 4.277 0.030 . 1 . . . . 56 ALA HA . 11316 1 596 . 1 1 56 56 ALA HB1 H 1 1.457 0.030 . 1 . . . . 56 ALA HB . 11316 1 597 . 1 1 56 56 ALA HB2 H 1 1.457 0.030 . 1 . . . . 56 ALA HB . 11316 1 598 . 1 1 56 56 ALA HB3 H 1 1.457 0.030 . 1 . . . . 56 ALA HB . 11316 1 599 . 1 1 56 56 ALA C C 13 177.336 0.300 . 1 . . . . 56 ALA C . 11316 1 600 . 1 1 56 56 ALA CA C 13 54.584 0.300 . 1 . . . . 56 ALA CA . 11316 1 601 . 1 1 56 56 ALA CB C 13 19.900 0.300 . 1 . . . . 56 ALA CB . 11316 1 602 . 1 1 56 56 ALA N N 15 127.370 0.300 . 1 . . . . 56 ALA N . 11316 1 603 . 1 1 57 57 ARG H H 1 7.453 0.030 . 1 . . . . 57 ARG H . 11316 1 604 . 1 1 57 57 ARG HA H 1 4.713 0.030 . 1 . . . . 57 ARG HA . 11316 1 605 . 1 1 57 57 ARG HB2 H 1 1.716 0.030 . 2 . . . . 57 ARG HB2 . 11316 1 606 . 1 1 57 57 ARG HB3 H 1 1.907 0.030 . 2 . . . . 57 ARG HB3 . 11316 1 607 . 1 1 57 57 ARG HD2 H 1 3.160 0.030 . 1 . . . . 57 ARG HD2 . 11316 1 608 . 1 1 57 57 ARG HD3 H 1 3.160 0.030 . 1 . . . . 57 ARG HD3 . 11316 1 609 . 1 1 57 57 ARG HG2 H 1 1.543 0.030 . 2 . . . . 57 ARG HG2 . 11316 1 610 . 1 1 57 57 ARG HG3 H 1 1.612 0.030 . 2 . . . . 57 ARG HG3 . 11316 1 611 . 1 1 57 57 ARG C C 13 176.304 0.300 . 1 . . . . 57 ARG C . 11316 1 612 . 1 1 57 57 ARG CA C 13 54.354 0.300 . 1 . . . . 57 ARG CA . 11316 1 613 . 1 1 57 57 ARG CB C 13 32.621 0.300 . 1 . . . . 57 ARG CB . 11316 1 614 . 1 1 57 57 ARG CD C 13 43.444 0.300 . 1 . . . . 57 ARG CD . 11316 1 615 . 1 1 57 57 ARG CG C 13 26.576 0.300 . 1 . . . . 57 ARG CG . 11316 1 616 . 1 1 57 57 ARG N N 15 113.317 0.300 . 1 . . . . 57 ARG N . 11316 1 617 . 1 1 58 58 LYS HA H 1 3.157 0.030 . 1 . . . . 58 LYS HA . 11316 1 618 . 1 1 58 58 LYS HB2 H 1 1.588 0.030 . 2 . . . . 58 LYS HB2 . 11316 1 619 . 1 1 58 58 LYS HB3 H 1 1.429 0.030 . 2 . . . . 58 LYS HB3 . 11316 1 620 . 1 1 58 58 LYS HD2 H 1 1.508 0.030 . 1 . . . . 58 LYS HD2 . 11316 1 621 . 1 1 58 58 LYS HD3 H 1 1.508 0.030 . 1 . . . . 58 LYS HD3 . 11316 1 622 . 1 1 58 58 LYS HE2 H 1 2.839 0.030 . 1 . . . . 58 LYS HE2 . 11316 1 623 . 1 1 58 58 LYS HE3 H 1 2.839 0.030 . 1 . . . . 58 LYS HE3 . 11316 1 624 . 1 1 58 58 LYS HG2 H 1 0.988 0.030 . 2 . . . . 58 LYS HG2 . 11316 1 625 . 1 1 58 58 LYS HG3 H 1 1.107 0.030 . 2 . . . . 58 LYS HG3 . 11316 1 626 . 1 1 58 58 LYS CA C 13 60.021 0.300 . 1 . . . . 58 LYS CA . 11316 1 627 . 1 1 58 58 LYS CB C 13 31.827 0.300 . 1 . . . . 58 LYS CB . 11316 1 628 . 1 1 58 58 LYS CD C 13 29.462 0.300 . 1 . . . . 58 LYS CD . 11316 1 629 . 1 1 58 58 LYS CE C 13 42.246 0.300 . 1 . . . . 58 LYS CE . 11316 1 630 . 1 1 58 58 LYS CG C 13 24.913 0.300 . 1 . . . . 58 LYS CG . 11316 1 631 . 1 1 59 59 SER HA H 1 4.133 0.030 . 1 . . . . 59 SER HA . 11316 1 632 . 1 1 59 59 SER HB2 H 1 3.813 0.030 . 2 . . . . 59 SER HB2 . 11316 1 633 . 1 1 59 59 SER HB3 H 1 3.939 0.030 . 2 . . . . 59 SER HB3 . 11316 1 634 . 1 1 59 59 SER C C 13 176.309 0.300 . 1 . . . . 59 SER C . 11316 1 635 . 1 1 59 59 SER CA C 13 60.651 0.300 . 1 . . . . 59 SER CA . 11316 1 636 . 1 1 59 59 SER CB C 13 61.891 0.300 . 1 . . . . 59 SER CB . 11316 1 637 . 1 1 60 60 ASP H H 1 7.284 0.030 . 1 . . . . 60 ASP H . 11316 1 638 . 1 1 60 60 ASP HA H 1 4.674 0.030 . 1 . . . . 60 ASP HA . 11316 1 639 . 1 1 60 60 ASP HB2 H 1 2.812 0.030 . 1 . . . . 60 ASP HB2 . 11316 1 640 . 1 1 60 60 ASP HB3 H 1 2.812 0.030 . 1 . . . . 60 ASP HB3 . 11316 1 641 . 1 1 60 60 ASP C C 13 178.315 0.300 . 1 . . . . 60 ASP C . 11316 1 642 . 1 1 60 60 ASP CA C 13 55.952 0.300 . 1 . . . . 60 ASP CA . 11316 1 643 . 1 1 60 60 ASP CB C 13 41.084 0.300 . 1 . . . . 60 ASP CB . 11316 1 644 . 1 1 60 60 ASP N N 15 121.127 0.300 . 1 . . . . 60 ASP N . 11316 1 645 . 1 1 61 61 LEU H H 1 7.844 0.030 . 1 . . . . 61 LEU H . 11316 1 646 . 1 1 61 61 LEU HA H 1 4.128 0.030 . 1 . . . . 61 LEU HA . 11316 1 647 . 1 1 61 61 LEU HB2 H 1 2.056 0.030 . 2 . . . . 61 LEU HB2 . 11316 1 648 . 1 1 61 61 LEU HB3 H 1 1.363 0.030 . 2 . . . . 61 LEU HB3 . 11316 1 649 . 1 1 61 61 LEU HD11 H 1 1.015 0.030 . 1 . . . . 61 LEU HD1 . 11316 1 650 . 1 1 61 61 LEU HD12 H 1 1.015 0.030 . 1 . . . . 61 LEU HD1 . 11316 1 651 . 1 1 61 61 LEU HD13 H 1 1.015 0.030 . 1 . . . . 61 LEU HD1 . 11316 1 652 . 1 1 61 61 LEU HD21 H 1 0.940 0.030 . 1 . . . . 61 LEU HD2 . 11316 1 653 . 1 1 61 61 LEU HD22 H 1 0.940 0.030 . 1 . . . . 61 LEU HD2 . 11316 1 654 . 1 1 61 61 LEU HD23 H 1 0.940 0.030 . 1 . . . . 61 LEU HD2 . 11316 1 655 . 1 1 61 61 LEU HG H 1 1.665 0.030 . 1 . . . . 61 LEU HG . 11316 1 656 . 1 1 61 61 LEU C C 13 177.849 0.300 . 1 . . . . 61 LEU C . 11316 1 657 . 1 1 61 61 LEU CA C 13 58.644 0.300 . 1 . . . . 61 LEU CA . 11316 1 658 . 1 1 61 61 LEU CB C 13 40.902 0.300 . 1 . . . . 61 LEU CB . 11316 1 659 . 1 1 61 61 LEU CD1 C 13 22.954 0.300 . 2 . . . . 61 LEU CD1 . 11316 1 660 . 1 1 61 61 LEU CD2 C 13 25.955 0.300 . 2 . . . . 61 LEU CD2 . 11316 1 661 . 1 1 61 61 LEU CG C 13 27.074 0.300 . 1 . . . . 61 LEU CG . 11316 1 662 . 1 1 61 61 LEU N N 15 123.935 0.300 . 1 . . . . 61 LEU N . 11316 1 663 . 1 1 62 62 GLY H H 1 8.224 0.030 . 1 . . . . 62 GLY H . 11316 1 664 . 1 1 62 62 GLY HA2 H 1 4.001 0.030 . 2 . . . . 62 GLY HA2 . 11316 1 665 . 1 1 62 62 GLY HA3 H 1 3.747 0.030 . 2 . . . . 62 GLY HA3 . 11316 1 666 . 1 1 62 62 GLY C C 13 176.428 0.300 . 1 . . . . 62 GLY C . 11316 1 667 . 1 1 62 62 GLY CA C 13 47.826 0.300 . 1 . . . . 62 GLY CA . 11316 1 668 . 1 1 62 62 GLY N N 15 106.439 0.300 . 1 . . . . 62 GLY N . 11316 1 669 . 1 1 63 63 VAL H H 1 7.408 0.030 . 1 . . . . 63 VAL H . 11316 1 670 . 1 1 63 63 VAL HA H 1 3.695 0.030 . 1 . . . . 63 VAL HA . 11316 1 671 . 1 1 63 63 VAL HB H 1 2.124 0.030 . 1 . . . . 63 VAL HB . 11316 1 672 . 1 1 63 63 VAL HG11 H 1 1.008 0.030 . 1 . . . . 63 VAL HG1 . 11316 1 673 . 1 1 63 63 VAL HG12 H 1 1.008 0.030 . 1 . . . . 63 VAL HG1 . 11316 1 674 . 1 1 63 63 VAL HG13 H 1 1.008 0.030 . 1 . . . . 63 VAL HG1 . 11316 1 675 . 1 1 63 63 VAL HG21 H 1 1.104 0.030 . 1 . . . . 63 VAL HG2 . 11316 1 676 . 1 1 63 63 VAL HG22 H 1 1.104 0.030 . 1 . . . . 63 VAL HG2 . 11316 1 677 . 1 1 63 63 VAL HG23 H 1 1.104 0.030 . 1 . . . . 63 VAL HG2 . 11316 1 678 . 1 1 63 63 VAL C C 13 177.460 0.300 . 1 . . . . 63 VAL C . 11316 1 679 . 1 1 63 63 VAL CA C 13 66.178 0.300 . 1 . . . . 63 VAL CA . 11316 1 680 . 1 1 63 63 VAL CB C 13 32.054 0.300 . 1 . . . . 63 VAL CB . 11316 1 681 . 1 1 63 63 VAL CG1 C 13 21.089 0.300 . 2 . . . . 63 VAL CG1 . 11316 1 682 . 1 1 63 63 VAL CG2 C 13 22.264 0.300 . 2 . . . . 63 VAL CG2 . 11316 1 683 . 1 1 63 63 VAL N N 15 121.034 0.300 . 1 . . . . 63 VAL N . 11316 1 684 . 1 1 64 64 HIS H H 1 7.832 0.030 . 1 . . . . 64 HIS H . 11316 1 685 . 1 1 64 64 HIS HA H 1 4.336 0.030 . 1 . . . . 64 HIS HA . 11316 1 686 . 1 1 64 64 HIS HB2 H 1 3.551 0.030 . 2 . . . . 64 HIS HB2 . 11316 1 687 . 1 1 64 64 HIS HB3 H 1 3.286 0.030 . 2 . . . . 64 HIS HB3 . 11316 1 688 . 1 1 64 64 HIS HD2 H 1 7.290 0.030 . 1 . . . . 64 HIS HD2 . 11316 1 689 . 1 1 64 64 HIS HE1 H 1 7.844 0.030 . 1 . . . . 64 HIS HE1 . 11316 1 690 . 1 1 64 64 HIS C C 13 177.160 0.300 . 1 . . . . 64 HIS C . 11316 1 691 . 1 1 64 64 HIS CA C 13 60.226 0.300 . 1 . . . . 64 HIS CA . 11316 1 692 . 1 1 64 64 HIS CB C 13 28.166 0.300 . 1 . . . . 64 HIS CB . 11316 1 693 . 1 1 64 64 HIS CD2 C 13 127.149 0.300 . 1 . . . . 64 HIS CD2 . 11316 1 694 . 1 1 64 64 HIS CE1 C 13 139.556 0.300 . 1 . . . . 64 HIS CE1 . 11316 1 695 . 1 1 64 64 HIS N N 15 119.639 0.300 . 1 . . . . 64 HIS N . 11316 1 696 . 1 1 65 65 LEU H H 1 8.906 0.030 . 1 . . . . 65 LEU H . 11316 1 697 . 1 1 65 65 LEU HA H 1 3.853 0.030 . 1 . . . . 65 LEU HA . 11316 1 698 . 1 1 65 65 LEU HB2 H 1 1.963 0.030 . 2 . . . . 65 LEU HB2 . 11316 1 699 . 1 1 65 65 LEU HB3 H 1 1.301 0.030 . 2 . . . . 65 LEU HB3 . 11316 1 700 . 1 1 65 65 LEU HD11 H 1 0.846 0.030 . 1 . . . . 65 LEU HD1 . 11316 1 701 . 1 1 65 65 LEU HD12 H 1 0.846 0.030 . 1 . . . . 65 LEU HD1 . 11316 1 702 . 1 1 65 65 LEU HD13 H 1 0.846 0.030 . 1 . . . . 65 LEU HD1 . 11316 1 703 . 1 1 65 65 LEU HD21 H 1 1.070 0.030 . 1 . . . . 65 LEU HD2 . 11316 1 704 . 1 1 65 65 LEU HD22 H 1 1.070 0.030 . 1 . . . . 65 LEU HD2 . 11316 1 705 . 1 1 65 65 LEU HD23 H 1 1.070 0.030 . 1 . . . . 65 LEU HD2 . 11316 1 706 . 1 1 65 65 LEU HG H 1 2.026 0.030 . 1 . . . . 65 LEU HG . 11316 1 707 . 1 1 65 65 LEU C C 13 179.756 0.300 . 1 . . . . 65 LEU C . 11316 1 708 . 1 1 65 65 LEU CA C 13 58.793 0.300 . 1 . . . . 65 LEU CA . 11316 1 709 . 1 1 65 65 LEU CB C 13 41.415 0.300 . 1 . . . . 65 LEU CB . 11316 1 710 . 1 1 65 65 LEU CD1 C 13 25.852 0.300 . 2 . . . . 65 LEU CD1 . 11316 1 711 . 1 1 65 65 LEU CD2 C 13 24.243 0.300 . 2 . . . . 65 LEU CD2 . 11316 1 712 . 1 1 65 65 LEU CG C 13 26.979 0.300 . 1 . . . . 65 LEU CG . 11316 1 713 . 1 1 65 65 LEU N N 15 118.659 0.300 . 1 . . . . 65 LEU N . 11316 1 714 . 1 1 66 66 ARG H H 1 7.714 0.030 . 1 . . . . 66 ARG H . 11316 1 715 . 1 1 66 66 ARG HA H 1 4.112 0.030 . 1 . . . . 66 ARG HA . 11316 1 716 . 1 1 66 66 ARG HB2 H 1 1.898 0.030 . 1 . . . . 66 ARG HB2 . 11316 1 717 . 1 1 66 66 ARG HB3 H 1 1.898 0.030 . 1 . . . . 66 ARG HB3 . 11316 1 718 . 1 1 66 66 ARG HD2 H 1 3.170 0.030 . 1 . . . . 66 ARG HD2 . 11316 1 719 . 1 1 66 66 ARG HD3 H 1 3.170 0.030 . 1 . . . . 66 ARG HD3 . 11316 1 720 . 1 1 66 66 ARG HG2 H 1 1.574 0.030 . 2 . . . . 66 ARG HG2 . 11316 1 721 . 1 1 66 66 ARG HG3 H 1 1.766 0.030 . 2 . . . . 66 ARG HG3 . 11316 1 722 . 1 1 66 66 ARG C C 13 178.171 0.300 . 1 . . . . 66 ARG C . 11316 1 723 . 1 1 66 66 ARG CA C 13 59.017 0.300 . 1 . . . . 66 ARG CA . 11316 1 724 . 1 1 66 66 ARG CB C 13 30.556 0.300 . 1 . . . . 66 ARG CB . 11316 1 725 . 1 1 66 66 ARG CD C 13 43.444 0.300 . 1 . . . . 66 ARG CD . 11316 1 726 . 1 1 66 66 ARG CG C 13 27.675 0.300 . 1 . . . . 66 ARG CG . 11316 1 727 . 1 1 66 66 ARG N N 15 118.008 0.300 . 1 . . . . 66 ARG N . 11316 1 728 . 1 1 67 67 LYS H H 1 8.376 0.030 . 1 . . . . 67 LYS H . 11316 1 729 . 1 1 67 67 LYS HA H 1 4.082 0.030 . 1 . . . . 67 LYS HA . 11316 1 730 . 1 1 67 67 LYS HB2 H 1 1.758 0.030 . 2 . . . . 67 LYS HB2 . 11316 1 731 . 1 1 67 67 LYS HB3 H 1 1.861 0.030 . 2 . . . . 67 LYS HB3 . 11316 1 732 . 1 1 67 67 LYS HD2 H 1 1.630 0.030 . 1 . . . . 67 LYS HD2 . 11316 1 733 . 1 1 67 67 LYS HD3 H 1 1.630 0.030 . 1 . . . . 67 LYS HD3 . 11316 1 734 . 1 1 67 67 LYS HE2 H 1 2.927 0.030 . 1 . . . . 67 LYS HE2 . 11316 1 735 . 1 1 67 67 LYS HE3 H 1 2.927 0.030 . 1 . . . . 67 LYS HE3 . 11316 1 736 . 1 1 67 67 LYS HG2 H 1 1.386 0.030 . 2 . . . . 67 LYS HG2 . 11316 1 737 . 1 1 67 67 LYS HG3 H 1 1.532 0.030 . 2 . . . . 67 LYS HG3 . 11316 1 738 . 1 1 67 67 LYS C C 13 178.494 0.300 . 1 . . . . 67 LYS C . 11316 1 739 . 1 1 67 67 LYS CA C 13 58.742 0.300 . 1 . . . . 67 LYS CA . 11316 1 740 . 1 1 67 67 LYS CB C 13 33.323 0.300 . 1 . . . . 67 LYS CB . 11316 1 741 . 1 1 67 67 LYS CD C 13 29.094 0.300 . 1 . . . . 67 LYS CD . 11316 1 742 . 1 1 67 67 LYS CE C 13 42.051 0.300 . 1 . . . . 67 LYS CE . 11316 1 743 . 1 1 67 67 LYS CG C 13 25.394 0.300 . 1 . . . . 67 LYS CG . 11316 1 744 . 1 1 67 67 LYS N N 15 117.406 0.300 . 1 . . . . 67 LYS N . 11316 1 745 . 1 1 68 68 GLN H H 1 8.290 0.030 . 1 . . . . 68 GLN H . 11316 1 746 . 1 1 68 68 GLN HA H 1 4.245 0.030 . 1 . . . . 68 GLN HA . 11316 1 747 . 1 1 68 68 GLN HB2 H 1 1.102 0.030 . 2 . . . . 68 GLN HB2 . 11316 1 748 . 1 1 68 68 GLN HB3 H 1 0.902 0.030 . 2 . . . . 68 GLN HB3 . 11316 1 749 . 1 1 68 68 GLN HE21 H 1 6.845 0.030 . 2 . . . . 68 GLN HE21 . 11316 1 750 . 1 1 68 68 GLN HE22 H 1 7.393 0.030 . 2 . . . . 68 GLN HE22 . 11316 1 751 . 1 1 68 68 GLN HG2 H 1 1.975 0.030 . 1 . . . . 68 GLN HG2 . 11316 1 752 . 1 1 68 68 GLN HG3 H 1 1.975 0.030 . 1 . . . . 68 GLN HG3 . 11316 1 753 . 1 1 68 68 GLN C C 13 176.531 0.300 . 1 . . . . 68 GLN C . 11316 1 754 . 1 1 68 68 GLN CA C 13 55.390 0.300 . 1 . . . . 68 GLN CA . 11316 1 755 . 1 1 68 68 GLN CB C 13 29.134 0.300 . 1 . . . . 68 GLN CB . 11316 1 756 . 1 1 68 68 GLN CG C 13 33.928 0.300 . 1 . . . . 68 GLN CG . 11316 1 757 . 1 1 68 68 GLN N N 15 113.574 0.300 . 1 . . . . 68 GLN N . 11316 1 758 . 1 1 68 68 GLN NE2 N 15 111.958 0.300 . 1 . . . . 68 GLN NE2 . 11316 1 759 . 1 1 69 69 HIS H H 1 7.036 0.030 . 1 . . . . 69 HIS H . 11316 1 760 . 1 1 69 69 HIS HA H 1 5.089 0.030 . 1 . . . . 69 HIS HA . 11316 1 761 . 1 1 69 69 HIS HB2 H 1 3.066 0.030 . 2 . . . . 69 HIS HB2 . 11316 1 762 . 1 1 69 69 HIS HB3 H 1 3.151 0.030 . 2 . . . . 69 HIS HB3 . 11316 1 763 . 1 1 69 69 HIS HD2 H 1 6.572 0.030 . 1 . . . . 69 HIS HD2 . 11316 1 764 . 1 1 69 69 HIS HE1 H 1 7.948 0.030 . 1 . . . . 69 HIS HE1 . 11316 1 765 . 1 1 69 69 HIS C C 13 174.370 0.300 . 1 . . . . 69 HIS C . 11316 1 766 . 1 1 69 69 HIS CA C 13 53.407 0.300 . 1 . . . . 69 HIS CA . 11316 1 767 . 1 1 69 69 HIS CB C 13 28.980 0.300 . 1 . . . . 69 HIS CB . 11316 1 768 . 1 1 69 69 HIS CD2 C 13 127.702 0.300 . 1 . . . . 69 HIS CD2 . 11316 1 769 . 1 1 69 69 HIS CE1 C 13 140.022 0.300 . 1 . . . . 69 HIS CE1 . 11316 1 770 . 1 1 69 69 HIS N N 15 113.797 0.300 . 1 . . . . 69 HIS N . 11316 1 771 . 1 1 70 70 SER H H 1 7.812 0.030 . 1 . . . . 70 SER H . 11316 1 772 . 1 1 70 70 SER HA H 1 4.281 0.030 . 1 . . . . 70 SER HA . 11316 1 773 . 1 1 70 70 SER HB2 H 1 3.878 0.030 . 2 . . . . 70 SER HB2 . 11316 1 774 . 1 1 70 70 SER HB3 H 1 3.952 0.030 . 2 . . . . 70 SER HB3 . 11316 1 775 . 1 1 70 70 SER C C 13 174.172 0.300 . 1 . . . . 70 SER C . 11316 1 776 . 1 1 70 70 SER CA C 13 58.897 0.300 . 1 . . . . 70 SER CA . 11316 1 777 . 1 1 70 70 SER CB C 13 62.458 0.300 . 1 . . . . 70 SER CB . 11316 1 778 . 1 1 70 70 SER N N 15 113.291 0.300 . 1 . . . . 70 SER N . 11316 1 779 . 1 1 71 71 TYR H H 1 8.037 0.030 . 1 . . . . 71 TYR H . 11316 1 780 . 1 1 71 71 TYR HA H 1 4.536 0.030 . 1 . . . . 71 TYR HA . 11316 1 781 . 1 1 71 71 TYR HB2 H 1 2.819 0.030 . 1 . . . . 71 TYR HB2 . 11316 1 782 . 1 1 71 71 TYR HB3 H 1 2.819 0.030 . 1 . . . . 71 TYR HB3 . 11316 1 783 . 1 1 71 71 TYR HD1 H 1 7.086 0.030 . 1 . . . . 71 TYR HD1 . 11316 1 784 . 1 1 71 71 TYR HD2 H 1 7.086 0.030 . 1 . . . . 71 TYR HD2 . 11316 1 785 . 1 1 71 71 TYR HE1 H 1 6.755 0.030 . 1 . . . . 71 TYR HE1 . 11316 1 786 . 1 1 71 71 TYR HE2 H 1 6.755 0.030 . 1 . . . . 71 TYR HE2 . 11316 1 787 . 1 1 71 71 TYR C C 13 175.818 0.300 . 1 . . . . 71 TYR C . 11316 1 788 . 1 1 71 71 TYR CA C 13 58.193 0.300 . 1 . . . . 71 TYR CA . 11316 1 789 . 1 1 71 71 TYR CB C 13 38.891 0.300 . 1 . . . . 71 TYR CB . 11316 1 790 . 1 1 71 71 TYR CD1 C 13 133.174 0.300 . 1 . . . . 71 TYR CD1 . 11316 1 791 . 1 1 71 71 TYR CD2 C 13 133.174 0.300 . 1 . . . . 71 TYR CD2 . 11316 1 792 . 1 1 71 71 TYR CE1 C 13 118.300 0.300 . 1 . . . . 71 TYR CE1 . 11316 1 793 . 1 1 71 71 TYR CE2 C 13 118.300 0.300 . 1 . . . . 71 TYR CE2 . 11316 1 794 . 1 1 71 71 TYR N N 15 121.598 0.300 . 1 . . . . 71 TYR N . 11316 1 795 . 1 1 72 72 SER HA H 1 4.427 0.030 . 1 . . . . 72 SER HA . 11316 1 796 . 1 1 72 72 SER HB2 H 1 3.749 0.030 . 1 . . . . 72 SER HB2 . 11316 1 797 . 1 1 72 72 SER HB3 H 1 3.749 0.030 . 1 . . . . 72 SER HB3 . 11316 1 798 . 1 1 72 72 SER CA C 13 58.151 0.300 . 1 . . . . 72 SER CA . 11316 1 799 . 1 1 72 72 SER CB C 13 64.151 0.300 . 1 . . . . 72 SER CB . 11316 1 800 . 1 1 73 73 GLY H H 1 7.413 0.030 . 1 . . . . 73 GLY H . 11316 1 801 . 1 1 73 73 GLY HA2 H 1 3.998 0.030 . 1 . . . . 73 GLY HA2 . 11316 1 802 . 1 1 73 73 GLY HA3 H 1 3.998 0.030 . 1 . . . . 73 GLY HA3 . 11316 1 803 . 1 1 73 73 GLY CA C 13 44.588 0.300 . 1 . . . . 73 GLY CA . 11316 1 804 . 1 1 73 73 GLY N N 15 109.755 0.300 . 1 . . . . 73 GLY N . 11316 1 805 . 1 1 74 74 PRO HA H 1 4.476 0.030 . 1 . . . . 74 PRO HA . 11316 1 806 . 1 1 74 74 PRO HB2 H 1 2.287 0.030 . 2 . . . . 74 PRO HB2 . 11316 1 807 . 1 1 74 74 PRO HB3 H 1 1.972 0.030 . 2 . . . . 74 PRO HB3 . 11316 1 808 . 1 1 74 74 PRO HD2 H 1 3.602 0.030 . 1 . . . . 74 PRO HD2 . 11316 1 809 . 1 1 74 74 PRO HD3 H 1 3.602 0.030 . 1 . . . . 74 PRO HD3 . 11316 1 810 . 1 1 74 74 PRO HG2 H 1 2.002 0.030 . 1 . . . . 74 PRO HG2 . 11316 1 811 . 1 1 74 74 PRO HG3 H 1 2.002 0.030 . 1 . . . . 74 PRO HG3 . 11316 1 812 . 1 1 74 74 PRO CA C 13 63.248 0.300 . 1 . . . . 74 PRO CA . 11316 1 813 . 1 1 74 74 PRO CB C 13 32.294 0.300 . 1 . . . . 74 PRO CB . 11316 1 814 . 1 1 74 74 PRO CD C 13 49.765 0.300 . 1 . . . . 74 PRO CD . 11316 1 815 . 1 1 74 74 PRO CG C 13 27.159 0.300 . 1 . . . . 74 PRO CG . 11316 1 stop_ save_