data_11234 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11234 _Entry.Title ; Solution structure of the RING domain (1-66) from tripartite motif-containing protein 31 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 X. Qin . . . 11234 2 T. Nagashima . . . 11234 3 F. Hayashi . . . 11234 4 S. Yokoyama . . . 11234 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)' . 11234 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11234 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 11234 '15N chemical shifts' 63 11234 '1H chemical shifts' 484 11234 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 . . 2011-08-03 2010-07-23 original author . 11234 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YSL 'BMRB Entry Tracking System' 11234 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11234 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the RING domain (1-66) from tripartite motif-containing protein 31 ; _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 X. Qin . . . 11234 1 2 T. Nagashima . . . 11234 1 3 F. Hayashi . . . 11234 1 4 S. Yokoyama . . . 11234 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11234 _Assembly.ID 1 _Assembly.Name 'Tripartite motif-containing protein 31' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING-type zinc finger' 1 $entity_1 A . yes native no no . . . 11234 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11234 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11234 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'RING-type zinc finger' 1 CYS 23 23 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 23 CYS SG . . . . ZN 11234 1 2 coordination single . 1 'RING-type zinc finger' 1 CYS 26 26 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 26 CYS SG . . . . ZN 11234 1 3 coordination single . 1 'RING-type zinc finger' 1 CYS 43 43 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 43 CYS SG . . . . ZN 11234 1 4 coordination single . 1 'RING-type zinc finger' 1 CYS 46 46 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 46 CYS SG . . . . ZN 11234 1 5 coordination single . 1 'RING-type zinc finger' 1 CYS 38 38 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11234 1 6 coordination single . 1 'RING-type zinc finger' 1 HIS 40 40 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 40 HIS ND1 . . . . ZN 11234 1 7 coordination single . 1 'RING-type zinc finger' 1 CYS 60 60 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 60 CYS SG . . . . ZN 11234 1 8 coordination single . 1 'RING-type zinc finger' 1 CYS 63 63 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 63 CYS SG . . . . ZN 11234 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 60 60 HG . 60 CYS HG 11234 1 . . 1 1 CYS 63 63 HG . 63 CYS HG 11234 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11234 1 . . 1 1 HIS 40 40 HD1 . 40 HIS HD1 11234 1 . . 1 1 CYS 43 43 HG . 43 CYS HG 11234 1 . . 1 1 CYS 46 46 HG . 46 CYS HG 11234 1 . . 1 1 CYS 23 23 HG . 23 CYS HG 11234 1 . . 1 1 CYS 26 26 HG . 26 CYS HG 11234 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 2ysl . . . . . . 11234 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11234 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING-type zinc finger' _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 ; GSSGSSGMASGQFVNKLQEE VICPICLDILQKPVTIDCGH NFCLKCITQIGETSCGFFKC PLCKTSVRKNAIR ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and 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 2YSJ . "Solution Structure Of The Ring Domain (1-56) From Tripartite Motif-containing Protein 31" . . . . . 86.30 63 100.00 100.00 2.39e-36 . . . . 11234 1 2 no PDB 2YSL . "Solution Structure Of The Ring Domain (1-66) From Tripartite Motif-containing Protein 31" . . . . . 100.00 73 100.00 100.00 5.69e-44 . . . . 11234 1 3 no DBJ BAD96449 . "tripartite motif protein 31 isoform alpha variant [Homo sapiens]" . . . . . 90.41 425 100.00 100.00 2.60e-38 . . . . 11234 1 4 no DBJ BAE78603 . "tripartite motif-containing 31 [Homo sapiens]" . . . . . 90.41 425 100.00 100.00 2.47e-38 . . . . 11234 1 5 no DBJ BAE92827 . "tripartite motif protein 31, isoform alpha [Pan troglodytes]" . . . . . 90.41 426 100.00 100.00 2.04e-38 . . . . 11234 1 6 no DBJ BAE92828 . "tripartite motif protein 31, isoform alpha [Pan troglodytes]" . . . . . 90.41 426 100.00 100.00 1.99e-38 . . . . 11234 1 7 no DBJ BAF82959 . "unnamed protein product [Homo sapiens]" . . . . . 90.41 425 100.00 100.00 2.47e-38 . . . . 11234 1 8 no EMBL CAM26290 . "tripartite motif-containing 31 [Homo sapiens]" . . . . . 90.41 425 100.00 100.00 2.47e-38 . . . . 11234 1 9 no GB AAH17017 . "Tripartite motif-containing 31 [Homo sapiens]" . . . . . 90.41 425 100.00 100.00 2.55e-38 . . . . 11234 1 10 no GB AAP35321 . "tripartite motif-containing 31 [Homo sapiens]" . . . . . 90.41 425 100.00 100.00 2.55e-38 . . . . 11234 1 11 no GB AAP36702 . "Homo sapiens tripartite motif-containing 31 [synthetic construct]" . . . . . 90.41 426 100.00 100.00 2.58e-38 . . . . 11234 1 12 no GB AAX41911 . "tripartite motif-containing 31 [synthetic construct]" . . . . . 90.41 425 100.00 100.00 2.55e-38 . . . . 11234 1 13 no GB AAX41912 . "tripartite motif-containing 31 [synthetic construct]" . . . . . 90.41 425 100.00 100.00 2.55e-38 . . . . 11234 1 14 no REF NP_008959 . "E3 ubiquitin-protein ligase TRIM31 [Homo sapiens]" . . . . . 90.41 425 100.00 100.00 2.47e-38 . . . . 11234 1 15 no REF XP_003272070 . "PREDICTED: E3 ubiquitin-protein ligase TRIM31 isoform X1 [Nomascus leucogenys]" . . . . . 90.41 475 96.97 96.97 5.50e-36 . . . . 11234 1 16 no REF XP_004043605 . "PREDICTED: E3 ubiquitin-protein ligase TRIM31 [Gorilla gorilla gorilla]" . . . . . 90.41 474 98.48 98.48 1.53e-37 . . . . 11234 1 17 no REF XP_008953353 . "PREDICTED: E3 ubiquitin-protein ligase TRIM31 isoform X1 [Pan paniscus]" . . . . . 90.41 474 100.00 100.00 2.00e-38 . . . . 11234 1 18 no REF XP_008953354 . "PREDICTED: E3 ubiquitin-protein ligase TRIM31 isoform X2 [Pan paniscus]" . . . . . 90.41 460 100.00 100.00 2.16e-38 . . . . 11234 1 19 no SP Q9BZY9 . "RecName: Full=E3 ubiquitin-protein ligase TRIM31; AltName: Full=Tripartite motif-containing protein 31" . . . . . 90.41 425 100.00 100.00 2.47e-38 . . . . 11234 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING-type zinc finger' . 11234 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 . 11234 1 2 . SER . 11234 1 3 . SER . 11234 1 4 . GLY . 11234 1 5 . SER . 11234 1 6 . SER . 11234 1 7 . GLY . 11234 1 8 . MET . 11234 1 9 . ALA . 11234 1 10 . SER . 11234 1 11 . GLY . 11234 1 12 . GLN . 11234 1 13 . PHE . 11234 1 14 . VAL . 11234 1 15 . ASN . 11234 1 16 . LYS . 11234 1 17 . LEU . 11234 1 18 . GLN . 11234 1 19 . GLU . 11234 1 20 . GLU . 11234 1 21 . VAL . 11234 1 22 . ILE . 11234 1 23 . CYS . 11234 1 24 . PRO . 11234 1 25 . ILE . 11234 1 26 . CYS . 11234 1 27 . LEU . 11234 1 28 . ASP . 11234 1 29 . ILE . 11234 1 30 . LEU . 11234 1 31 . GLN . 11234 1 32 . LYS . 11234 1 33 . PRO . 11234 1 34 . VAL . 11234 1 35 . THR . 11234 1 36 . ILE . 11234 1 37 . ASP . 11234 1 38 . CYS . 11234 1 39 . GLY . 11234 1 40 . HIS . 11234 1 41 . ASN . 11234 1 42 . PHE . 11234 1 43 . CYS . 11234 1 44 . LEU . 11234 1 45 . LYS . 11234 1 46 . CYS . 11234 1 47 . ILE . 11234 1 48 . THR . 11234 1 49 . GLN . 11234 1 50 . ILE . 11234 1 51 . GLY . 11234 1 52 . GLU . 11234 1 53 . THR . 11234 1 54 . SER . 11234 1 55 . CYS . 11234 1 56 . GLY . 11234 1 57 . PHE . 11234 1 58 . PHE . 11234 1 59 . LYS . 11234 1 60 . CYS . 11234 1 61 . PRO . 11234 1 62 . LEU . 11234 1 63 . CYS . 11234 1 64 . LYS . 11234 1 65 . THR . 11234 1 66 . SER . 11234 1 67 . VAL . 11234 1 68 . ARG . 11234 1 69 . LYS . 11234 1 70 . ASN . 11234 1 71 . ALA . 11234 1 72 . ILE . 11234 1 73 . ARG . 11234 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 11234 1 . SER 2 2 11234 1 . SER 3 3 11234 1 . GLY 4 4 11234 1 . SER 5 5 11234 1 . SER 6 6 11234 1 . GLY 7 7 11234 1 . MET 8 8 11234 1 . ALA 9 9 11234 1 . SER 10 10 11234 1 . GLY 11 11 11234 1 . GLN 12 12 11234 1 . PHE 13 13 11234 1 . VAL 14 14 11234 1 . ASN 15 15 11234 1 . LYS 16 16 11234 1 . LEU 17 17 11234 1 . GLN 18 18 11234 1 . GLU 19 19 11234 1 . GLU 20 20 11234 1 . VAL 21 21 11234 1 . ILE 22 22 11234 1 . CYS 23 23 11234 1 . PRO 24 24 11234 1 . ILE 25 25 11234 1 . CYS 26 26 11234 1 . LEU 27 27 11234 1 . ASP 28 28 11234 1 . ILE 29 29 11234 1 . LEU 30 30 11234 1 . GLN 31 31 11234 1 . LYS 32 32 11234 1 . PRO 33 33 11234 1 . VAL 34 34 11234 1 . THR 35 35 11234 1 . ILE 36 36 11234 1 . ASP 37 37 11234 1 . CYS 38 38 11234 1 . GLY 39 39 11234 1 . HIS 40 40 11234 1 . ASN 41 41 11234 1 . PHE 42 42 11234 1 . CYS 43 43 11234 1 . LEU 44 44 11234 1 . LYS 45 45 11234 1 . CYS 46 46 11234 1 . ILE 47 47 11234 1 . THR 48 48 11234 1 . GLN 49 49 11234 1 . ILE 50 50 11234 1 . GLY 51 51 11234 1 . GLU 52 52 11234 1 . THR 53 53 11234 1 . SER 54 54 11234 1 . CYS 55 55 11234 1 . GLY 56 56 11234 1 . PHE 57 57 11234 1 . PHE 58 58 11234 1 . LYS 59 59 11234 1 . CYS 60 60 11234 1 . PRO 61 61 11234 1 . LEU 62 62 11234 1 . CYS 63 63 11234 1 . LYS 64 64 11234 1 . THR 65 65 11234 1 . SER 66 66 11234 1 . VAL 67 67 11234 1 . ARG 68 68 11234 1 . LYS 69 69 11234 1 . ASN 70 70 11234 1 . ALA 71 71 11234 1 . ILE 72 72 11234 1 . ARG 73 73 11234 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11234 _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 . 11234 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 11234 _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 . . . . . . . . . . . . . . . . . . . . . 11234 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 11234 _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 . . . . . . . . . . . . . . . . P060529-14 . . . . . . 11234 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 11234 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _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 11234 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11234 ZN [Zn++] SMILES CACTVS 3.341 11234 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11234 ZN [Zn+2] SMILES ACDLabs 10.04 11234 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11234 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11234 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 11234 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11234 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11234 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11234 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.16mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2+1mM IDA/ 90% H2O, 10%D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING-type zinc finger' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.16 . . mM . . . . 11234 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11234 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11234 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11234 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11234 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11234 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11234 1 8 H2O . . . . . . solvent 90 . . % . . . . 11234 1 9 D2O . . . . . . solvent 10 . . % . . . . 11234 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 11234 _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 11234 1 pH 7.0 0.05 pH 11234 1 pressure 1 0.001 atm 11234 1 temperature 298 0.1 K 11234 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11234 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11234 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11234 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11234 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11234 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11234 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11234 _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.' . . 11234 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11234 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11234 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11234 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11234 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11234 _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.' . . 11234 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11234 5 'structure solution' 11234 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 11234 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11234 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11234 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 11234 _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 . . . . . . . . . . . . . . . . 11234 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11234 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 11234 _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 . . . . . . . . . 11234 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11234 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11234 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 11234 _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 11234 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11234 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 $VNMR . . 11234 1 2 $NMRPipe . . 11234 1 3 $NMRVIEW . . 11234 1 4 $Kujira . . 11234 1 5 $CYANA . . 11234 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.956 0.030 . 1 . . . . 7 GLY HA2 . 11234 1 2 . 1 1 7 7 GLY HA3 H 1 3.956 0.030 . 1 . . . . 7 GLY HA3 . 11234 1 3 . 1 1 7 7 GLY C C 13 174.225 0.300 . 1 . . . . 7 GLY C . 11234 1 4 . 1 1 7 7 GLY CA C 13 45.488 0.300 . 1 . . . . 7 GLY CA . 11234 1 5 . 1 1 8 8 MET H H 1 8.170 0.030 . 1 . . . . 8 MET H . 11234 1 6 . 1 1 8 8 MET HA H 1 4.469 0.030 . 1 . . . . 8 MET HA . 11234 1 7 . 1 1 8 8 MET HB2 H 1 2.082 0.030 . 2 . . . . 8 MET HB2 . 11234 1 8 . 1 1 8 8 MET HB3 H 1 1.986 0.030 . 2 . . . . 8 MET HB3 . 11234 1 9 . 1 1 8 8 MET HE1 H 1 2.071 0.030 . 1 . . . . 8 MET HE . 11234 1 10 . 1 1 8 8 MET HE2 H 1 2.071 0.030 . 1 . . . . 8 MET HE . 11234 1 11 . 1 1 8 8 MET HE3 H 1 2.071 0.030 . 1 . . . . 8 MET HE . 11234 1 12 . 1 1 8 8 MET HG2 H 1 2.512 0.030 . 2 . . . . 8 MET HG2 . 11234 1 13 . 1 1 8 8 MET HG3 H 1 2.583 0.030 . 2 . . . . 8 MET HG3 . 11234 1 14 . 1 1 8 8 MET C C 13 176.206 0.300 . 1 . . . . 8 MET C . 11234 1 15 . 1 1 8 8 MET CA C 13 55.523 0.300 . 1 . . . . 8 MET CA . 11234 1 16 . 1 1 8 8 MET CB C 13 33.046 0.300 . 1 . . . . 8 MET CB . 11234 1 17 . 1 1 8 8 MET CE C 13 16.948 0.300 . 1 . . . . 8 MET CE . 11234 1 18 . 1 1 8 8 MET CG C 13 31.920 0.300 . 1 . . . . 8 MET CG . 11234 1 19 . 1 1 8 8 MET N N 15 119.895 0.300 . 1 . . . . 8 MET N . 11234 1 20 . 1 1 9 9 ALA H H 1 8.388 0.030 . 1 . . . . 9 ALA H . 11234 1 21 . 1 1 9 9 ALA HA H 1 4.368 0.030 . 1 . . . . 9 ALA HA . 11234 1 22 . 1 1 9 9 ALA HB1 H 1 1.424 0.030 . 1 . . . . 9 ALA HB . 11234 1 23 . 1 1 9 9 ALA HB2 H 1 1.424 0.030 . 1 . . . . 9 ALA HB . 11234 1 24 . 1 1 9 9 ALA HB3 H 1 1.424 0.030 . 1 . . . . 9 ALA HB . 11234 1 25 . 1 1 9 9 ALA C C 13 177.757 0.300 . 1 . . . . 9 ALA C . 11234 1 26 . 1 1 9 9 ALA CA C 13 52.541 0.300 . 1 . . . . 9 ALA CA . 11234 1 27 . 1 1 9 9 ALA CB C 13 19.169 0.300 . 1 . . . . 9 ALA CB . 11234 1 28 . 1 1 9 9 ALA N N 15 125.376 0.300 . 1 . . . . 9 ALA N . 11234 1 29 . 1 1 10 10 SER H H 1 8.282 0.030 . 1 . . . . 10 SER H . 11234 1 30 . 1 1 10 10 SER HA H 1 4.416 0.030 . 1 . . . . 10 SER HA . 11234 1 31 . 1 1 10 10 SER HB2 H 1 3.894 0.030 . 1 . . . . 10 SER HB2 . 11234 1 32 . 1 1 10 10 SER HB3 H 1 3.894 0.030 . 1 . . . . 10 SER HB3 . 11234 1 33 . 1 1 10 10 SER C C 13 175.228 0.300 . 1 . . . . 10 SER C . 11234 1 34 . 1 1 10 10 SER CA C 13 58.523 0.300 . 1 . . . . 10 SER CA . 11234 1 35 . 1 1 10 10 SER CB C 13 63.948 0.300 . 1 . . . . 10 SER CB . 11234 1 36 . 1 1 10 10 SER N N 15 114.927 0.300 . 1 . . . . 10 SER N . 11234 1 37 . 1 1 11 11 GLY H H 1 8.396 0.030 . 1 . . . . 11 GLY H . 11234 1 38 . 1 1 11 11 GLY HA2 H 1 3.945 0.030 . 1 . . . . 11 GLY HA2 . 11234 1 39 . 1 1 11 11 GLY HA3 H 1 3.945 0.030 . 1 . . . . 11 GLY HA3 . 11234 1 40 . 1 1 11 11 GLY C C 13 174.070 0.300 . 1 . . . . 11 GLY C . 11234 1 41 . 1 1 11 11 GLY CA C 13 45.470 0.300 . 1 . . . . 11 GLY CA . 11234 1 42 . 1 1 11 11 GLY N N 15 110.570 0.300 . 1 . . . . 11 GLY N . 11234 1 43 . 1 1 12 12 GLN H H 1 8.107 0.030 . 1 . . . . 12 GLN H . 11234 1 44 . 1 1 12 12 GLN HA H 1 4.251 0.030 . 1 . . . . 12 GLN HA . 11234 1 45 . 1 1 12 12 GLN HB2 H 1 1.858 0.030 . 2 . . . . 12 GLN HB2 . 11234 1 46 . 1 1 12 12 GLN HB3 H 1 1.927 0.030 . 2 . . . . 12 GLN HB3 . 11234 1 47 . 1 1 12 12 GLN HE21 H 1 7.449 0.030 . 2 . . . . 12 GLN HE21 . 11234 1 48 . 1 1 12 12 GLN HE22 H 1 6.829 0.030 . 2 . . . . 12 GLN HE22 . 11234 1 49 . 1 1 12 12 GLN HG2 H 1 2.152 0.030 . 2 . . . . 12 GLN HG2 . 11234 1 50 . 1 1 12 12 GLN HG3 H 1 2.192 0.030 . 2 . . . . 12 GLN HG3 . 11234 1 51 . 1 1 12 12 GLN C C 13 175.594 0.300 . 1 . . . . 12 GLN C . 11234 1 52 . 1 1 12 12 GLN CA C 13 55.974 0.300 . 1 . . . . 12 GLN CA . 11234 1 53 . 1 1 12 12 GLN CB C 13 29.471 0.300 . 1 . . . . 12 GLN CB . 11234 1 54 . 1 1 12 12 GLN CG C 13 33.601 0.300 . 1 . . . . 12 GLN CG . 11234 1 55 . 1 1 12 12 GLN N N 15 119.444 0.300 . 1 . . . . 12 GLN N . 11234 1 56 . 1 1 12 12 GLN NE2 N 15 112.357 0.300 . 1 . . . . 12 GLN NE2 . 11234 1 57 . 1 1 13 13 PHE H H 1 8.271 0.030 . 1 . . . . 13 PHE H . 11234 1 58 . 1 1 13 13 PHE HA H 1 4.660 0.030 . 1 . . . . 13 PHE HA . 11234 1 59 . 1 1 13 13 PHE HB2 H 1 3.154 0.030 . 2 . . . . 13 PHE HB2 . 11234 1 60 . 1 1 13 13 PHE HB3 H 1 3.002 0.030 . 2 . . . . 13 PHE HB3 . 11234 1 61 . 1 1 13 13 PHE HD1 H 1 7.241 0.030 . 1 . . . . 13 PHE HD1 . 11234 1 62 . 1 1 13 13 PHE HD2 H 1 7.241 0.030 . 1 . . . . 13 PHE HD2 . 11234 1 63 . 1 1 13 13 PHE HE1 H 1 7.338 0.030 . 1 . . . . 13 PHE HE1 . 11234 1 64 . 1 1 13 13 PHE HE2 H 1 7.338 0.030 . 1 . . . . 13 PHE HE2 . 11234 1 65 . 1 1 13 13 PHE HZ H 1 7.287 0.030 . 1 . . . . 13 PHE HZ . 11234 1 66 . 1 1 13 13 PHE C C 13 175.553 0.300 . 1 . . . . 13 PHE C . 11234 1 67 . 1 1 13 13 PHE CA C 13 57.548 0.300 . 1 . . . . 13 PHE CA . 11234 1 68 . 1 1 13 13 PHE CB C 13 39.434 0.300 . 1 . . . . 13 PHE CB . 11234 1 69 . 1 1 13 13 PHE CD1 C 13 131.578 0.300 . 1 . . . . 13 PHE CD1 . 11234 1 70 . 1 1 13 13 PHE CD2 C 13 131.578 0.300 . 1 . . . . 13 PHE CD2 . 11234 1 71 . 1 1 13 13 PHE CE1 C 13 131.489 0.300 . 1 . . . . 13 PHE CE1 . 11234 1 72 . 1 1 13 13 PHE CE2 C 13 131.489 0.300 . 1 . . . . 13 PHE CE2 . 11234 1 73 . 1 1 13 13 PHE CZ C 13 129.555 0.300 . 1 . . . . 13 PHE CZ . 11234 1 74 . 1 1 13 13 PHE N N 15 120.947 0.300 . 1 . . . . 13 PHE N . 11234 1 75 . 1 1 14 14 VAL H H 1 7.962 0.030 . 1 . . . . 14 VAL H . 11234 1 76 . 1 1 14 14 VAL HA H 1 4.044 0.030 . 1 . . . . 14 VAL HA . 11234 1 77 . 1 1 14 14 VAL HB H 1 1.995 0.030 . 1 . . . . 14 VAL HB . 11234 1 78 . 1 1 14 14 VAL HG11 H 1 0.896 0.030 . 1 . . . . 14 VAL HG1 . 11234 1 79 . 1 1 14 14 VAL HG12 H 1 0.896 0.030 . 1 . . . . 14 VAL HG1 . 11234 1 80 . 1 1 14 14 VAL HG13 H 1 0.896 0.030 . 1 . . . . 14 VAL HG1 . 11234 1 81 . 1 1 14 14 VAL HG21 H 1 0.878 0.030 . 1 . . . . 14 VAL HG2 . 11234 1 82 . 1 1 14 14 VAL HG22 H 1 0.878 0.030 . 1 . . . . 14 VAL HG2 . 11234 1 83 . 1 1 14 14 VAL HG23 H 1 0.878 0.030 . 1 . . . . 14 VAL HG2 . 11234 1 84 . 1 1 14 14 VAL C C 13 175.411 0.300 . 1 . . . . 14 VAL C . 11234 1 85 . 1 1 14 14 VAL CA C 13 62.230 0.300 . 1 . . . . 14 VAL CA . 11234 1 86 . 1 1 14 14 VAL CB C 13 32.928 0.300 . 1 . . . . 14 VAL CB . 11234 1 87 . 1 1 14 14 VAL CG1 C 13 20.499 0.300 . 2 . . . . 14 VAL CG1 . 11234 1 88 . 1 1 14 14 VAL CG2 C 13 20.933 0.300 . 2 . . . . 14 VAL CG2 . 11234 1 89 . 1 1 14 14 VAL N N 15 121.802 0.300 . 1 . . . . 14 VAL N . 11234 1 90 . 1 1 15 15 ASN H H 1 8.430 0.030 . 1 . . . . 15 ASN H . 11234 1 91 . 1 1 15 15 ASN HA H 1 4.653 0.030 . 1 . . . . 15 ASN HA . 11234 1 92 . 1 1 15 15 ASN HB2 H 1 2.826 0.030 . 2 . . . . 15 ASN HB2 . 11234 1 93 . 1 1 15 15 ASN HB3 H 1 2.734 0.030 . 2 . . . . 15 ASN HB3 . 11234 1 94 . 1 1 15 15 ASN HD21 H 1 7.620 0.030 . 2 . . . . 15 ASN HD21 . 11234 1 95 . 1 1 15 15 ASN HD22 H 1 6.936 0.030 . 2 . . . . 15 ASN HD22 . 11234 1 96 . 1 1 15 15 ASN C C 13 174.964 0.300 . 1 . . . . 15 ASN C . 11234 1 97 . 1 1 15 15 ASN CA C 13 53.080 0.300 . 1 . . . . 15 ASN CA . 11234 1 98 . 1 1 15 15 ASN CB C 13 38.900 0.300 . 1 . . . . 15 ASN CB . 11234 1 99 . 1 1 15 15 ASN N N 15 122.498 0.300 . 1 . . . . 15 ASN N . 11234 1 100 . 1 1 15 15 ASN ND2 N 15 112.727 0.300 . 1 . . . . 15 ASN ND2 . 11234 1 101 . 1 1 16 16 LYS H H 1 8.259 0.030 . 1 . . . . 16 LYS H . 11234 1 102 . 1 1 16 16 LYS HA H 1 4.286 0.030 . 1 . . . . 16 LYS HA . 11234 1 103 . 1 1 16 16 LYS HB2 H 1 1.822 0.030 . 2 . . . . 16 LYS HB2 . 11234 1 104 . 1 1 16 16 LYS HB3 H 1 1.736 0.030 . 2 . . . . 16 LYS HB3 . 11234 1 105 . 1 1 16 16 LYS HD2 H 1 1.651 0.030 . 1 . . . . 16 LYS HD2 . 11234 1 106 . 1 1 16 16 LYS HD3 H 1 1.651 0.030 . 1 . . . . 16 LYS HD3 . 11234 1 107 . 1 1 16 16 LYS HE2 H 1 2.967 0.030 . 1 . . . . 16 LYS HE2 . 11234 1 108 . 1 1 16 16 LYS HE3 H 1 2.967 0.030 . 1 . . . . 16 LYS HE3 . 11234 1 109 . 1 1 16 16 LYS HG2 H 1 1.397 0.030 . 1 . . . . 16 LYS HG2 . 11234 1 110 . 1 1 16 16 LYS HG3 H 1 1.397 0.030 . 1 . . . . 16 LYS HG3 . 11234 1 111 . 1 1 16 16 LYS C C 13 176.398 0.300 . 1 . . . . 16 LYS C . 11234 1 112 . 1 1 16 16 LYS CA C 13 56.441 0.300 . 1 . . . . 16 LYS CA . 11234 1 113 . 1 1 16 16 LYS CB C 13 33.046 0.300 . 1 . . . . 16 LYS CB . 11234 1 114 . 1 1 16 16 LYS CD C 13 29.057 0.300 . 1 . . . . 16 LYS CD . 11234 1 115 . 1 1 16 16 LYS CE C 13 42.090 0.300 . 1 . . . . 16 LYS CE . 11234 1 116 . 1 1 16 16 LYS CG C 13 24.623 0.300 . 1 . . . . 16 LYS CG . 11234 1 117 . 1 1 16 16 LYS N N 15 122.254 0.300 . 1 . . . . 16 LYS N . 11234 1 118 . 1 1 17 17 LEU H H 1 8.286 0.030 . 1 . . . . 17 LEU H . 11234 1 119 . 1 1 17 17 LEU HA H 1 4.306 0.030 . 1 . . . . 17 LEU HA . 11234 1 120 . 1 1 17 17 LEU HB2 H 1 1.651 0.030 . 2 . . . . 17 LEU HB2 . 11234 1 121 . 1 1 17 17 LEU HB3 H 1 1.573 0.030 . 2 . . . . 17 LEU HB3 . 11234 1 122 . 1 1 17 17 LEU HD11 H 1 0.911 0.030 . 1 . . . . 17 LEU HD1 . 11234 1 123 . 1 1 17 17 LEU HD12 H 1 0.911 0.030 . 1 . . . . 17 LEU HD1 . 11234 1 124 . 1 1 17 17 LEU HD13 H 1 0.911 0.030 . 1 . . . . 17 LEU HD1 . 11234 1 125 . 1 1 17 17 LEU HD21 H 1 0.857 0.030 . 1 . . . . 17 LEU HD2 . 11234 1 126 . 1 1 17 17 LEU HD22 H 1 0.857 0.030 . 1 . . . . 17 LEU HD2 . 11234 1 127 . 1 1 17 17 LEU HD23 H 1 0.857 0.030 . 1 . . . . 17 LEU HD2 . 11234 1 128 . 1 1 17 17 LEU HG H 1 1.613 0.030 . 1 . . . . 17 LEU HG . 11234 1 129 . 1 1 17 17 LEU C C 13 177.314 0.300 . 1 . . . . 17 LEU C . 11234 1 130 . 1 1 17 17 LEU CA C 13 55.308 0.300 . 1 . . . . 17 LEU CA . 11234 1 131 . 1 1 17 17 LEU CB C 13 42.120 0.300 . 1 . . . . 17 LEU CB . 11234 1 132 . 1 1 17 17 LEU CD1 C 13 24.906 0.300 . 2 . . . . 17 LEU CD1 . 11234 1 133 . 1 1 17 17 LEU CD2 C 13 23.417 0.300 . 2 . . . . 17 LEU CD2 . 11234 1 134 . 1 1 17 17 LEU CG C 13 27.024 0.300 . 1 . . . . 17 LEU CG . 11234 1 135 . 1 1 17 17 LEU N N 15 123.091 0.300 . 1 . . . . 17 LEU N . 11234 1 136 . 1 1 18 18 GLN H H 1 8.268 0.030 . 1 . . . . 18 GLN H . 11234 1 137 . 1 1 18 18 GLN HA H 1 4.288 0.030 . 1 . . . . 18 GLN HA . 11234 1 138 . 1 1 18 18 GLN HB2 H 1 2.097 0.030 . 2 . . . . 18 GLN HB2 . 11234 1 139 . 1 1 18 18 GLN HB3 H 1 1.993 0.030 . 2 . . . . 18 GLN HB3 . 11234 1 140 . 1 1 18 18 GLN HE21 H 1 7.573 0.030 . 2 . . . . 18 GLN HE21 . 11234 1 141 . 1 1 18 18 GLN HE22 H 1 6.846 0.030 . 2 . . . . 18 GLN HE22 . 11234 1 142 . 1 1 18 18 GLN HG2 H 1 2.338 0.030 . 1 . . . . 18 GLN HG2 . 11234 1 143 . 1 1 18 18 GLN HG3 H 1 2.338 0.030 . 1 . . . . 18 GLN HG3 . 11234 1 144 . 1 1 18 18 GLN C C 13 175.737 0.300 . 1 . . . . 18 GLN C . 11234 1 145 . 1 1 18 18 GLN CA C 13 55.927 0.300 . 1 . . . . 18 GLN CA . 11234 1 146 . 1 1 18 18 GLN CB C 13 29.331 0.300 . 1 . . . . 18 GLN CB . 11234 1 147 . 1 1 18 18 GLN CG C 13 33.806 0.300 . 1 . . . . 18 GLN CG . 11234 1 148 . 1 1 18 18 GLN N N 15 120.708 0.300 . 1 . . . . 18 GLN N . 11234 1 149 . 1 1 18 18 GLN NE2 N 15 112.371 0.300 . 1 . . . . 18 GLN NE2 . 11234 1 150 . 1 1 19 19 GLU H H 1 8.369 0.030 . 1 . . . . 19 GLU H . 11234 1 151 . 1 1 19 19 GLU HA H 1 4.236 0.030 . 1 . . . . 19 GLU HA . 11234 1 152 . 1 1 19 19 GLU HB2 H 1 2.031 0.030 . 2 . . . . 19 GLU HB2 . 11234 1 153 . 1 1 19 19 GLU HB3 H 1 1.921 0.030 . 2 . . . . 19 GLU HB3 . 11234 1 154 . 1 1 19 19 GLU HG2 H 1 2.230 0.030 . 1 . . . . 19 GLU HG2 . 11234 1 155 . 1 1 19 19 GLU HG3 H 1 2.230 0.030 . 1 . . . . 19 GLU HG3 . 11234 1 156 . 1 1 19 19 GLU C C 13 176.353 0.300 . 1 . . . . 19 GLU C . 11234 1 157 . 1 1 19 19 GLU CA C 13 56.730 0.300 . 1 . . . . 19 GLU CA . 11234 1 158 . 1 1 19 19 GLU CB C 13 30.444 0.300 . 1 . . . . 19 GLU CB . 11234 1 159 . 1 1 19 19 GLU CG C 13 36.361 0.300 . 1 . . . . 19 GLU CG . 11234 1 160 . 1 1 19 19 GLU N N 15 121.648 0.300 . 1 . . . . 19 GLU N . 11234 1 161 . 1 1 20 20 GLU H H 1 8.409 0.030 . 1 . . . . 20 GLU H . 11234 1 162 . 1 1 20 20 GLU HA H 1 4.323 0.030 . 1 . . . . 20 GLU HA . 11234 1 163 . 1 1 20 20 GLU HB2 H 1 1.993 0.030 . 2 . . . . 20 GLU HB2 . 11234 1 164 . 1 1 20 20 GLU HB3 H 1 1.914 0.030 . 2 . . . . 20 GLU HB3 . 11234 1 165 . 1 1 20 20 GLU HG2 H 1 2.202 0.030 . 2 . . . . 20 GLU HG2 . 11234 1 166 . 1 1 20 20 GLU HG3 H 1 2.257 0.030 . 2 . . . . 20 GLU HG3 . 11234 1 167 . 1 1 20 20 GLU C C 13 175.950 0.300 . 1 . . . . 20 GLU C . 11234 1 168 . 1 1 20 20 GLU CA C 13 56.500 0.300 . 1 . . . . 20 GLU CA . 11234 1 169 . 1 1 20 20 GLU CB C 13 30.389 0.300 . 1 . . . . 20 GLU CB . 11234 1 170 . 1 1 20 20 GLU CG C 13 36.470 0.300 . 1 . . . . 20 GLU CG . 11234 1 171 . 1 1 20 20 GLU N N 15 121.347 0.300 . 1 . . . . 20 GLU N . 11234 1 172 . 1 1 21 21 VAL H H 1 8.280 0.030 . 1 . . . . 21 VAL H . 11234 1 173 . 1 1 21 21 VAL HA H 1 4.199 0.030 . 1 . . . . 21 VAL HA . 11234 1 174 . 1 1 21 21 VAL HB H 1 2.103 0.030 . 1 . . . . 21 VAL HB . 11234 1 175 . 1 1 21 21 VAL HG11 H 1 0.887 0.030 . 1 . . . . 21 VAL HG1 . 11234 1 176 . 1 1 21 21 VAL HG12 H 1 0.887 0.030 . 1 . . . . 21 VAL HG1 . 11234 1 177 . 1 1 21 21 VAL HG13 H 1 0.887 0.030 . 1 . . . . 21 VAL HG1 . 11234 1 178 . 1 1 21 21 VAL HG21 H 1 0.904 0.030 . 1 . . . . 21 VAL HG2 . 11234 1 179 . 1 1 21 21 VAL HG22 H 1 0.904 0.030 . 1 . . . . 21 VAL HG2 . 11234 1 180 . 1 1 21 21 VAL HG23 H 1 0.904 0.030 . 1 . . . . 21 VAL HG2 . 11234 1 181 . 1 1 21 21 VAL C C 13 174.694 0.300 . 1 . . . . 21 VAL C . 11234 1 182 . 1 1 21 21 VAL CA C 13 61.960 0.300 . 1 . . . . 21 VAL CA . 11234 1 183 . 1 1 21 21 VAL CB C 13 32.702 0.300 . 1 . . . . 21 VAL CB . 11234 1 184 . 1 1 21 21 VAL CG1 C 13 21.783 0.300 . 2 . . . . 21 VAL CG1 . 11234 1 185 . 1 1 21 21 VAL CG2 C 13 20.508 0.300 . 2 . . . . 21 VAL CG2 . 11234 1 186 . 1 1 21 21 VAL N N 15 121.092 0.300 . 1 . . . . 21 VAL N . 11234 1 187 . 1 1 22 22 ILE H H 1 7.766 0.030 . 1 . . . . 22 ILE H . 11234 1 188 . 1 1 22 22 ILE HA H 1 4.566 0.030 . 1 . . . . 22 ILE HA . 11234 1 189 . 1 1 22 22 ILE HB H 1 1.593 0.030 . 1 . . . . 22 ILE HB . 11234 1 190 . 1 1 22 22 ILE HD11 H 1 0.689 0.030 . 1 . . . . 22 ILE HD1 . 11234 1 191 . 1 1 22 22 ILE HD12 H 1 0.689 0.030 . 1 . . . . 22 ILE HD1 . 11234 1 192 . 1 1 22 22 ILE HD13 H 1 0.689 0.030 . 1 . . . . 22 ILE HD1 . 11234 1 193 . 1 1 22 22 ILE HG12 H 1 1.222 0.030 . 2 . . . . 22 ILE HG12 . 11234 1 194 . 1 1 22 22 ILE HG13 H 1 1.084 0.030 . 2 . . . . 22 ILE HG13 . 11234 1 195 . 1 1 22 22 ILE HG21 H 1 0.651 0.030 . 1 . . . . 22 ILE HG2 . 11234 1 196 . 1 1 22 22 ILE HG22 H 1 0.651 0.030 . 1 . . . . 22 ILE HG2 . 11234 1 197 . 1 1 22 22 ILE HG23 H 1 0.651 0.030 . 1 . . . . 22 ILE HG2 . 11234 1 198 . 1 1 22 22 ILE C C 13 175.774 0.300 . 1 . . . . 22 ILE C . 11234 1 199 . 1 1 22 22 ILE CA C 13 58.438 0.300 . 1 . . . . 22 ILE CA . 11234 1 200 . 1 1 22 22 ILE CB C 13 40.226 0.300 . 1 . . . . 22 ILE CB . 11234 1 201 . 1 1 22 22 ILE CD1 C 13 12.635 0.300 . 1 . . . . 22 ILE CD1 . 11234 1 202 . 1 1 22 22 ILE CG1 C 13 26.500 0.300 . 1 . . . . 22 ILE CG1 . 11234 1 203 . 1 1 22 22 ILE CG2 C 13 17.358 0.300 . 1 . . . . 22 ILE CG2 . 11234 1 204 . 1 1 22 22 ILE N N 15 121.372 0.300 . 1 . . . . 22 ILE N . 11234 1 205 . 1 1 23 23 CYS H H 1 8.989 0.030 . 1 . . . . 23 CYS H . 11234 1 206 . 1 1 23 23 CYS HA H 1 4.611 0.030 . 1 . . . . 23 CYS HA . 11234 1 207 . 1 1 23 23 CYS HB2 H 1 3.676 0.030 . 2 . . . . 23 CYS HB2 . 11234 1 208 . 1 1 23 23 CYS HB3 H 1 2.882 0.030 . 2 . . . . 23 CYS HB3 . 11234 1 209 . 1 1 23 23 CYS C C 13 175.592 0.300 . 1 . . . . 23 CYS C . 11234 1 210 . 1 1 23 23 CYS CA C 13 56.783 0.300 . 1 . . . . 23 CYS CA . 11234 1 211 . 1 1 23 23 CYS CB C 13 32.200 0.300 . 1 . . . . 23 CYS CB . 11234 1 212 . 1 1 23 23 CYS N N 15 129.611 0.300 . 1 . . . . 23 CYS N . 11234 1 213 . 1 1 24 24 PRO HA H 1 4.441 0.030 . 1 . . . . 24 PRO HA . 11234 1 214 . 1 1 24 24 PRO HB2 H 1 2.444 0.030 . 2 . . . . 24 PRO HB2 . 11234 1 215 . 1 1 24 24 PRO HB3 H 1 1.946 0.030 . 2 . . . . 24 PRO HB3 . 11234 1 216 . 1 1 24 24 PRO HD2 H 1 4.154 0.030 . 1 . . . . 24 PRO HD2 . 11234 1 217 . 1 1 24 24 PRO HD3 H 1 4.154 0.030 . 1 . . . . 24 PRO HD3 . 11234 1 218 . 1 1 24 24 PRO HG2 H 1 1.979 0.030 . 2 . . . . 24 PRO HG2 . 11234 1 219 . 1 1 24 24 PRO HG3 H 1 1.850 0.030 . 2 . . . . 24 PRO HG3 . 11234 1 220 . 1 1 24 24 PRO C C 13 176.771 0.300 . 1 . . . . 24 PRO C . 11234 1 221 . 1 1 24 24 PRO CA C 13 64.093 0.300 . 1 . . . . 24 PRO CA . 11234 1 222 . 1 1 24 24 PRO CB C 13 32.906 0.300 . 1 . . . . 24 PRO CB . 11234 1 223 . 1 1 24 24 PRO CD C 13 51.583 0.300 . 1 . . . . 24 PRO CD . 11234 1 224 . 1 1 24 24 PRO CG C 13 27.743 0.300 . 1 . . . . 24 PRO CG . 11234 1 225 . 1 1 25 25 ILE H H 1 8.849 0.030 . 1 . . . . 25 ILE H . 11234 1 226 . 1 1 25 25 ILE HA H 1 4.150 0.030 . 1 . . . . 25 ILE HA . 11234 1 227 . 1 1 25 25 ILE HB H 1 2.524 0.030 . 1 . . . . 25 ILE HB . 11234 1 228 . 1 1 25 25 ILE HD11 H 1 0.643 0.030 . 1 . . . . 25 ILE HD1 . 11234 1 229 . 1 1 25 25 ILE HD12 H 1 0.643 0.030 . 1 . . . . 25 ILE HD1 . 11234 1 230 . 1 1 25 25 ILE HD13 H 1 0.643 0.030 . 1 . . . . 25 ILE HD1 . 11234 1 231 . 1 1 25 25 ILE HG12 H 1 1.262 0.030 . 2 . . . . 25 ILE HG12 . 11234 1 232 . 1 1 25 25 ILE HG13 H 1 1.655 0.030 . 2 . . . . 25 ILE HG13 . 11234 1 233 . 1 1 25 25 ILE HG21 H 1 0.948 0.030 . 1 . . . . 25 ILE HG2 . 11234 1 234 . 1 1 25 25 ILE HG22 H 1 0.948 0.030 . 1 . . . . 25 ILE HG2 . 11234 1 235 . 1 1 25 25 ILE HG23 H 1 0.948 0.030 . 1 . . . . 25 ILE HG2 . 11234 1 236 . 1 1 25 25 ILE C C 13 176.462 0.300 . 1 . . . . 25 ILE C . 11234 1 237 . 1 1 25 25 ILE CA C 13 63.398 0.300 . 1 . . . . 25 ILE CA . 11234 1 238 . 1 1 25 25 ILE CB C 13 37.423 0.300 . 1 . . . . 25 ILE CB . 11234 1 239 . 1 1 25 25 ILE CD1 C 13 12.966 0.300 . 1 . . . . 25 ILE CD1 . 11234 1 240 . 1 1 25 25 ILE CG1 C 13 27.821 0.300 . 1 . . . . 25 ILE CG1 . 11234 1 241 . 1 1 25 25 ILE CG2 C 13 17.359 0.300 . 1 . . . . 25 ILE CG2 . 11234 1 242 . 1 1 25 25 ILE N N 15 119.602 0.300 . 1 . . . . 25 ILE N . 11234 1 243 . 1 1 26 26 CYS H H 1 7.918 0.030 . 1 . . . . 26 CYS H . 11234 1 244 . 1 1 26 26 CYS HA H 1 4.638 0.030 . 1 . . . . 26 CYS HA . 11234 1 245 . 1 1 26 26 CYS HB2 H 1 3.138 0.030 . 2 . . . . 26 CYS HB2 . 11234 1 246 . 1 1 26 26 CYS HB3 H 1 2.834 0.030 . 2 . . . . 26 CYS HB3 . 11234 1 247 . 1 1 26 26 CYS C C 13 176.426 0.300 . 1 . . . . 26 CYS C . 11234 1 248 . 1 1 26 26 CYS CA C 13 59.115 0.300 . 1 . . . . 26 CYS CA . 11234 1 249 . 1 1 26 26 CYS CB C 13 31.512 0.300 . 1 . . . . 26 CYS CB . 11234 1 250 . 1 1 26 26 CYS N N 15 117.991 0.300 . 1 . . . . 26 CYS N . 11234 1 251 . 1 1 27 27 LEU H H 1 8.151 0.030 . 1 . . . . 27 LEU H . 11234 1 252 . 1 1 27 27 LEU HA H 1 4.160 0.030 . 1 . . . . 27 LEU HA . 11234 1 253 . 1 1 27 27 LEU HB2 H 1 2.126 0.030 . 2 . . . . 27 LEU HB2 . 11234 1 254 . 1 1 27 27 LEU HB3 H 1 1.610 0.030 . 2 . . . . 27 LEU HB3 . 11234 1 255 . 1 1 27 27 LEU HD11 H 1 0.876 0.030 . 1 . . . . 27 LEU HD1 . 11234 1 256 . 1 1 27 27 LEU HD12 H 1 0.876 0.030 . 1 . . . . 27 LEU HD1 . 11234 1 257 . 1 1 27 27 LEU HD13 H 1 0.876 0.030 . 1 . . . . 27 LEU HD1 . 11234 1 258 . 1 1 27 27 LEU HD21 H 1 0.816 0.030 . 1 . . . . 27 LEU HD2 . 11234 1 259 . 1 1 27 27 LEU HD22 H 1 0.816 0.030 . 1 . . . . 27 LEU HD2 . 11234 1 260 . 1 1 27 27 LEU HD23 H 1 0.816 0.030 . 1 . . . . 27 LEU HD2 . 11234 1 261 . 1 1 27 27 LEU HG H 1 1.377 0.030 . 1 . . . . 27 LEU HG . 11234 1 262 . 1 1 27 27 LEU C C 13 175.291 0.300 . 1 . . . . 27 LEU C . 11234 1 263 . 1 1 27 27 LEU CA C 13 56.597 0.300 . 1 . . . . 27 LEU CA . 11234 1 264 . 1 1 27 27 LEU CB C 13 38.146 0.300 . 1 . . . . 27 LEU CB . 11234 1 265 . 1 1 27 27 LEU CD1 C 13 25.410 0.300 . 2 . . . . 27 LEU CD1 . 11234 1 266 . 1 1 27 27 LEU CD2 C 13 22.673 0.300 . 2 . . . . 27 LEU CD2 . 11234 1 267 . 1 1 27 27 LEU CG C 13 27.124 0.300 . 1 . . . . 27 LEU CG . 11234 1 268 . 1 1 27 27 LEU N N 15 119.037 0.300 . 1 . . . . 27 LEU N . 11234 1 269 . 1 1 28 28 ASP H H 1 8.464 0.030 . 1 . . . . 28 ASP H . 11234 1 270 . 1 1 28 28 ASP HA H 1 4.855 0.030 . 1 . . . . 28 ASP HA . 11234 1 271 . 1 1 28 28 ASP HB2 H 1 2.881 0.030 . 2 . . . . 28 ASP HB2 . 11234 1 272 . 1 1 28 28 ASP HB3 H 1 2.770 0.030 . 2 . . . . 28 ASP HB3 . 11234 1 273 . 1 1 28 28 ASP C C 13 175.867 0.300 . 1 . . . . 28 ASP C . 11234 1 274 . 1 1 28 28 ASP CA C 13 52.921 0.300 . 1 . . . . 28 ASP CA . 11234 1 275 . 1 1 28 28 ASP CB C 13 42.919 0.300 . 1 . . . . 28 ASP CB . 11234 1 276 . 1 1 28 28 ASP N N 15 121.811 0.300 . 1 . . . . 28 ASP N . 11234 1 277 . 1 1 29 29 ILE H H 1 8.525 0.030 . 1 . . . . 29 ILE H . 11234 1 278 . 1 1 29 29 ILE HA H 1 4.006 0.030 . 1 . . . . 29 ILE HA . 11234 1 279 . 1 1 29 29 ILE HB H 1 1.736 0.030 . 1 . . . . 29 ILE HB . 11234 1 280 . 1 1 29 29 ILE HD11 H 1 0.845 0.030 . 1 . . . . 29 ILE HD1 . 11234 1 281 . 1 1 29 29 ILE HD12 H 1 0.845 0.030 . 1 . . . . 29 ILE HD1 . 11234 1 282 . 1 1 29 29 ILE HD13 H 1 0.845 0.030 . 1 . . . . 29 ILE HD1 . 11234 1 283 . 1 1 29 29 ILE HG12 H 1 1.569 0.030 . 2 . . . . 29 ILE HG12 . 11234 1 284 . 1 1 29 29 ILE HG13 H 1 1.186 0.030 . 2 . . . . 29 ILE HG13 . 11234 1 285 . 1 1 29 29 ILE HG21 H 1 0.914 0.030 . 1 . . . . 29 ILE HG2 . 11234 1 286 . 1 1 29 29 ILE HG22 H 1 0.914 0.030 . 1 . . . . 29 ILE HG2 . 11234 1 287 . 1 1 29 29 ILE HG23 H 1 0.914 0.030 . 1 . . . . 29 ILE HG2 . 11234 1 288 . 1 1 29 29 ILE C C 13 176.552 0.300 . 1 . . . . 29 ILE C . 11234 1 289 . 1 1 29 29 ILE CA C 13 61.960 0.300 . 1 . . . . 29 ILE CA . 11234 1 290 . 1 1 29 29 ILE CB C 13 37.927 0.300 . 1 . . . . 29 ILE CB . 11234 1 291 . 1 1 29 29 ILE CD1 C 13 12.745 0.300 . 1 . . . . 29 ILE CD1 . 11234 1 292 . 1 1 29 29 ILE CG1 C 13 28.160 0.300 . 1 . . . . 29 ILE CG1 . 11234 1 293 . 1 1 29 29 ILE CG2 C 13 17.679 0.300 . 1 . . . . 29 ILE CG2 . 11234 1 294 . 1 1 29 29 ILE N N 15 120.301 0.300 . 1 . . . . 29 ILE N . 11234 1 295 . 1 1 30 30 LEU H H 1 8.479 0.030 . 1 . . . . 30 LEU H . 11234 1 296 . 1 1 30 30 LEU HA H 1 4.341 0.030 . 1 . . . . 30 LEU HA . 11234 1 297 . 1 1 30 30 LEU HB2 H 1 1.492 0.030 . 2 . . . . 30 LEU HB2 . 11234 1 298 . 1 1 30 30 LEU HB3 H 1 1.227 0.030 . 2 . . . . 30 LEU HB3 . 11234 1 299 . 1 1 30 30 LEU HD11 H 1 0.715 0.030 . 1 . . . . 30 LEU HD1 . 11234 1 300 . 1 1 30 30 LEU HD12 H 1 0.715 0.030 . 1 . . . . 30 LEU HD1 . 11234 1 301 . 1 1 30 30 LEU HD13 H 1 0.715 0.030 . 1 . . . . 30 LEU HD1 . 11234 1 302 . 1 1 30 30 LEU HD21 H 1 0.751 0.030 . 1 . . . . 30 LEU HD2 . 11234 1 303 . 1 1 30 30 LEU HD22 H 1 0.751 0.030 . 1 . . . . 30 LEU HD2 . 11234 1 304 . 1 1 30 30 LEU HD23 H 1 0.751 0.030 . 1 . . . . 30 LEU HD2 . 11234 1 305 . 1 1 30 30 LEU HG H 1 1.436 0.030 . 1 . . . . 30 LEU HG . 11234 1 306 . 1 1 30 30 LEU C C 13 176.474 0.300 . 1 . . . . 30 LEU C . 11234 1 307 . 1 1 30 30 LEU CA C 13 55.141 0.300 . 1 . . . . 30 LEU CA . 11234 1 308 . 1 1 30 30 LEU CB C 13 42.947 0.300 . 1 . . . . 30 LEU CB . 11234 1 309 . 1 1 30 30 LEU CD1 C 13 25.233 0.300 . 2 . . . . 30 LEU CD1 . 11234 1 310 . 1 1 30 30 LEU CD2 C 13 24.533 0.300 . 2 . . . . 30 LEU CD2 . 11234 1 311 . 1 1 30 30 LEU CG C 13 27.058 0.300 . 1 . . . . 30 LEU CG . 11234 1 312 . 1 1 30 30 LEU N N 15 127.077 0.300 . 1 . . . . 30 LEU N . 11234 1 313 . 1 1 31 31 GLN H H 1 8.298 0.030 . 1 . . . . 31 GLN H . 11234 1 314 . 1 1 31 31 GLN HA H 1 4.468 0.030 . 1 . . . . 31 GLN HA . 11234 1 315 . 1 1 31 31 GLN HB2 H 1 2.120 0.030 . 2 . . . . 31 GLN HB2 . 11234 1 316 . 1 1 31 31 GLN HB3 H 1 2.031 0.030 . 2 . . . . 31 GLN HB3 . 11234 1 317 . 1 1 31 31 GLN HE21 H 1 7.624 0.030 . 2 . . . . 31 GLN HE21 . 11234 1 318 . 1 1 31 31 GLN HE22 H 1 6.879 0.030 . 2 . . . . 31 GLN HE22 . 11234 1 319 . 1 1 31 31 GLN HG2 H 1 2.342 0.030 . 2 . . . . 31 GLN HG2 . 11234 1 320 . 1 1 31 31 GLN HG3 H 1 2.490 0.030 . 2 . . . . 31 GLN HG3 . 11234 1 321 . 1 1 31 31 GLN CA C 13 55.567 0.300 . 1 . . . . 31 GLN CA . 11234 1 322 . 1 1 31 31 GLN CB C 13 30.366 0.300 . 1 . . . . 31 GLN CB . 11234 1 323 . 1 1 31 31 GLN CG C 13 33.792 0.300 . 1 . . . . 31 GLN CG . 11234 1 324 . 1 1 31 31 GLN NE2 N 15 112.677 0.300 . 1 . . . . 31 GLN NE2 . 11234 1 325 . 1 1 32 32 LYS H H 1 8.704 0.030 . 1 . . . . 32 LYS H . 11234 1 326 . 1 1 32 32 LYS HA H 1 4.384 0.030 . 1 . . . . 32 LYS HA . 11234 1 327 . 1 1 32 32 LYS HB2 H 1 1.895 0.030 . 1 . . . . 32 LYS HB2 . 11234 1 328 . 1 1 32 32 LYS HB3 H 1 1.895 0.030 . 1 . . . . 32 LYS HB3 . 11234 1 329 . 1 1 32 32 LYS HD2 H 1 1.718 0.030 . 1 . . . . 32 LYS HD2 . 11234 1 330 . 1 1 32 32 LYS HD3 H 1 1.718 0.030 . 1 . . . . 32 LYS HD3 . 11234 1 331 . 1 1 32 32 LYS HE2 H 1 3.012 0.030 . 1 . . . . 32 LYS HE2 . 11234 1 332 . 1 1 32 32 LYS HE3 H 1 3.012 0.030 . 1 . . . . 32 LYS HE3 . 11234 1 333 . 1 1 32 32 LYS HG2 H 1 1.426 0.030 . 1 . . . . 32 LYS HG2 . 11234 1 334 . 1 1 32 32 LYS HG3 H 1 1.426 0.030 . 1 . . . . 32 LYS HG3 . 11234 1 335 . 1 1 32 32 LYS CA C 13 54.759 0.300 . 1 . . . . 32 LYS CA . 11234 1 336 . 1 1 32 32 LYS CB C 13 31.773 0.300 . 1 . . . . 32 LYS CB . 11234 1 337 . 1 1 32 32 LYS CD C 13 29.341 0.300 . 1 . . . . 32 LYS CD . 11234 1 338 . 1 1 32 32 LYS CE C 13 42.281 0.300 . 1 . . . . 32 LYS CE . 11234 1 339 . 1 1 32 32 LYS CG C 13 24.770 0.300 . 1 . . . . 32 LYS CG . 11234 1 340 . 1 1 32 32 LYS N N 15 120.955 0.300 . 1 . . . . 32 LYS N . 11234 1 341 . 1 1 33 33 PRO HA H 1 4.352 0.030 . 1 . . . . 33 PRO HA . 11234 1 342 . 1 1 33 33 PRO HB2 H 1 1.833 0.030 . 1 . . . . 33 PRO HB2 . 11234 1 343 . 1 1 33 33 PRO HB3 H 1 1.833 0.030 . 1 . . . . 33 PRO HB3 . 11234 1 344 . 1 1 33 33 PRO HD2 H 1 3.698 0.030 . 2 . . . . 33 PRO HD2 . 11234 1 345 . 1 1 33 33 PRO HD3 H 1 3.318 0.030 . 2 . . . . 33 PRO HD3 . 11234 1 346 . 1 1 33 33 PRO HG2 H 1 1.972 0.030 . 2 . . . . 33 PRO HG2 . 11234 1 347 . 1 1 33 33 PRO HG3 H 1 1.825 0.030 . 2 . . . . 33 PRO HG3 . 11234 1 348 . 1 1 33 33 PRO C C 13 176.627 0.300 . 1 . . . . 33 PRO C . 11234 1 349 . 1 1 33 33 PRO CA C 13 62.737 0.300 . 1 . . . . 33 PRO CA . 11234 1 350 . 1 1 33 33 PRO CB C 13 32.700 0.300 . 1 . . . . 33 PRO CB . 11234 1 351 . 1 1 33 33 PRO CD C 13 50.648 0.300 . 1 . . . . 33 PRO CD . 11234 1 352 . 1 1 33 33 PRO CG C 13 27.144 0.300 . 1 . . . . 33 PRO CG . 11234 1 353 . 1 1 34 34 VAL H H 1 9.060 0.030 . 1 . . . . 34 VAL H . 11234 1 354 . 1 1 34 34 VAL HA H 1 4.297 0.030 . 1 . . . . 34 VAL HA . 11234 1 355 . 1 1 34 34 VAL HB H 1 2.068 0.030 . 1 . . . . 34 VAL HB . 11234 1 356 . 1 1 34 34 VAL HG11 H 1 0.904 0.030 . 1 . . . . 34 VAL HG1 . 11234 1 357 . 1 1 34 34 VAL HG12 H 1 0.904 0.030 . 1 . . . . 34 VAL HG1 . 11234 1 358 . 1 1 34 34 VAL HG13 H 1 0.904 0.030 . 1 . . . . 34 VAL HG1 . 11234 1 359 . 1 1 34 34 VAL HG21 H 1 0.962 0.030 . 1 . . . . 34 VAL HG2 . 11234 1 360 . 1 1 34 34 VAL HG22 H 1 0.962 0.030 . 1 . . . . 34 VAL HG2 . 11234 1 361 . 1 1 34 34 VAL HG23 H 1 0.962 0.030 . 1 . . . . 34 VAL HG2 . 11234 1 362 . 1 1 34 34 VAL C C 13 174.750 0.300 . 1 . . . . 34 VAL C . 11234 1 363 . 1 1 34 34 VAL CA C 13 61.330 0.300 . 1 . . . . 34 VAL CA . 11234 1 364 . 1 1 34 34 VAL CB C 13 33.845 0.300 . 1 . . . . 34 VAL CB . 11234 1 365 . 1 1 34 34 VAL CG1 C 13 21.510 0.300 . 2 . . . . 34 VAL CG1 . 11234 1 366 . 1 1 34 34 VAL CG2 C 13 20.818 0.300 . 2 . . . . 34 VAL CG2 . 11234 1 367 . 1 1 34 34 VAL N N 15 122.033 0.300 . 1 . . . . 34 VAL N . 11234 1 368 . 1 1 35 35 THR H H 1 8.512 0.030 . 1 . . . . 35 THR H . 11234 1 369 . 1 1 35 35 THR HA H 1 4.924 0.030 . 1 . . . . 35 THR HA . 11234 1 370 . 1 1 35 35 THR HB H 1 3.860 0.030 . 1 . . . . 35 THR HB . 11234 1 371 . 1 1 35 35 THR HG21 H 1 1.213 0.030 . 1 . . . . 35 THR HG2 . 11234 1 372 . 1 1 35 35 THR HG22 H 1 1.213 0.030 . 1 . . . . 35 THR HG2 . 11234 1 373 . 1 1 35 35 THR HG23 H 1 1.213 0.030 . 1 . . . . 35 THR HG2 . 11234 1 374 . 1 1 35 35 THR C C 13 175.771 0.300 . 1 . . . . 35 THR C . 11234 1 375 . 1 1 35 35 THR CA C 13 61.696 0.300 . 1 . . . . 35 THR CA . 11234 1 376 . 1 1 35 35 THR CB C 13 69.667 0.300 . 1 . . . . 35 THR CB . 11234 1 377 . 1 1 35 35 THR CG2 C 13 22.002 0.300 . 1 . . . . 35 THR CG2 . 11234 1 378 . 1 1 35 35 THR N N 15 122.603 0.300 . 1 . . . . 35 THR N . 11234 1 379 . 1 1 36 36 ILE H H 1 8.432 0.030 . 1 . . . . 36 ILE H . 11234 1 380 . 1 1 36 36 ILE HA H 1 4.873 0.030 . 1 . . . . 36 ILE HA . 11234 1 381 . 1 1 36 36 ILE HB H 1 2.403 0.030 . 1 . . . . 36 ILE HB . 11234 1 382 . 1 1 36 36 ILE HD11 H 1 1.183 0.030 . 1 . . . . 36 ILE HD1 . 11234 1 383 . 1 1 36 36 ILE HD12 H 1 1.183 0.030 . 1 . . . . 36 ILE HD1 . 11234 1 384 . 1 1 36 36 ILE HD13 H 1 1.183 0.030 . 1 . . . . 36 ILE HD1 . 11234 1 385 . 1 1 36 36 ILE HG12 H 1 2.198 0.030 . 2 . . . . 36 ILE HG12 . 11234 1 386 . 1 1 36 36 ILE HG13 H 1 1.583 0.030 . 2 . . . . 36 ILE HG13 . 11234 1 387 . 1 1 36 36 ILE HG21 H 1 1.120 0.030 . 1 . . . . 36 ILE HG2 . 11234 1 388 . 1 1 36 36 ILE HG22 H 1 1.120 0.030 . 1 . . . . 36 ILE HG2 . 11234 1 389 . 1 1 36 36 ILE HG23 H 1 1.120 0.030 . 1 . . . . 36 ILE HG2 . 11234 1 390 . 1 1 36 36 ILE C C 13 179.121 0.300 . 1 . . . . 36 ILE C . 11234 1 391 . 1 1 36 36 ILE CA C 13 60.780 0.300 . 1 . . . . 36 ILE CA . 11234 1 392 . 1 1 36 36 ILE CB C 13 38.938 0.300 . 1 . . . . 36 ILE CB . 11234 1 393 . 1 1 36 36 ILE CD1 C 13 14.876 0.300 . 1 . . . . 36 ILE CD1 . 11234 1 394 . 1 1 36 36 ILE CG1 C 13 26.835 0.300 . 1 . . . . 36 ILE CG1 . 11234 1 395 . 1 1 36 36 ILE CG2 C 13 19.002 0.300 . 1 . . . . 36 ILE CG2 . 11234 1 396 . 1 1 36 36 ILE N N 15 121.616 0.300 . 1 . . . . 36 ILE N . 11234 1 397 . 1 1 37 37 ASP H H 1 8.439 0.030 . 1 . . . . 37 ASP H . 11234 1 398 . 1 1 37 37 ASP HA H 1 4.283 0.030 . 1 . . . . 37 ASP HA . 11234 1 399 . 1 1 37 37 ASP HB2 H 1 2.769 0.030 . 2 . . . . 37 ASP HB2 . 11234 1 400 . 1 1 37 37 ASP HB3 H 1 2.665 0.030 . 2 . . . . 37 ASP HB3 . 11234 1 401 . 1 1 37 37 ASP C C 13 176.214 0.300 . 1 . . . . 37 ASP C . 11234 1 402 . 1 1 37 37 ASP CA C 13 58.400 0.300 . 1 . . . . 37 ASP CA . 11234 1 403 . 1 1 37 37 ASP CB C 13 41.198 0.300 . 1 . . . . 37 ASP CB . 11234 1 404 . 1 1 37 37 ASP N N 15 118.781 0.300 . 1 . . . . 37 ASP N . 11234 1 405 . 1 1 38 38 CYS H H 1 7.557 0.030 . 1 . . . . 38 CYS H . 11234 1 406 . 1 1 38 38 CYS HA H 1 4.529 0.030 . 1 . . . . 38 CYS HA . 11234 1 407 . 1 1 38 38 CYS HB2 H 1 3.146 0.030 . 2 . . . . 38 CYS HB2 . 11234 1 408 . 1 1 38 38 CYS HB3 H 1 2.720 0.030 . 2 . . . . 38 CYS HB3 . 11234 1 409 . 1 1 38 38 CYS C C 13 176.193 0.300 . 1 . . . . 38 CYS C . 11234 1 410 . 1 1 38 38 CYS CA C 13 58.123 0.300 . 1 . . . . 38 CYS CA . 11234 1 411 . 1 1 38 38 CYS CB C 13 31.027 0.300 . 1 . . . . 38 CYS CB . 11234 1 412 . 1 1 38 38 CYS N N 15 114.567 0.300 . 1 . . . . 38 CYS N . 11234 1 413 . 1 1 39 39 GLY H H 1 8.492 0.030 . 1 . . . . 39 GLY H . 11234 1 414 . 1 1 39 39 GLY HA2 H 1 3.470 0.030 . 2 . . . . 39 GLY HA2 . 11234 1 415 . 1 1 39 39 GLY HA3 H 1 4.205 0.030 . 2 . . . . 39 GLY HA3 . 11234 1 416 . 1 1 39 39 GLY C C 13 174.002 0.300 . 1 . . . . 39 GLY C . 11234 1 417 . 1 1 39 39 GLY CA C 13 44.831 0.300 . 1 . . . . 39 GLY CA . 11234 1 418 . 1 1 39 39 GLY N N 15 111.307 0.300 . 1 . . . . 39 GLY N . 11234 1 419 . 1 1 40 40 HIS H H 1 8.108 0.030 . 1 . . . . 40 HIS H . 11234 1 420 . 1 1 40 40 HIS HA H 1 4.534 0.030 . 1 . . . . 40 HIS HA . 11234 1 421 . 1 1 40 40 HIS HB2 H 1 3.247 0.030 . 2 . . . . 40 HIS HB2 . 11234 1 422 . 1 1 40 40 HIS HB3 H 1 2.855 0.030 . 2 . . . . 40 HIS HB3 . 11234 1 423 . 1 1 40 40 HIS HD2 H 1 7.287 0.030 . 1 . . . . 40 HIS HD2 . 11234 1 424 . 1 1 40 40 HIS HE1 H 1 7.861 0.030 . 1 . . . . 40 HIS HE1 . 11234 1 425 . 1 1 40 40 HIS C C 13 172.521 0.300 . 1 . . . . 40 HIS C . 11234 1 426 . 1 1 40 40 HIS CA C 13 59.984 0.300 . 1 . . . . 40 HIS CA . 11234 1 427 . 1 1 40 40 HIS CB C 13 31.854 0.300 . 1 . . . . 40 HIS CB . 11234 1 428 . 1 1 40 40 HIS CD2 C 13 118.802 0.300 . 1 . . . . 40 HIS CD2 . 11234 1 429 . 1 1 40 40 HIS CE1 C 13 137.786 0.300 . 1 . . . . 40 HIS CE1 . 11234 1 430 . 1 1 40 40 HIS N N 15 121.770 0.300 . 1 . . . . 40 HIS N . 11234 1 431 . 1 1 41 41 ASN H H 1 7.948 0.030 . 1 . . . . 41 ASN H . 11234 1 432 . 1 1 41 41 ASN HA H 1 5.721 0.030 . 1 . . . . 41 ASN HA . 11234 1 433 . 1 1 41 41 ASN HB2 H 1 2.465 0.030 . 2 . . . . 41 ASN HB2 . 11234 1 434 . 1 1 41 41 ASN HB3 H 1 2.169 0.030 . 2 . . . . 41 ASN HB3 . 11234 1 435 . 1 1 41 41 ASN HD21 H 1 7.395 0.030 . 2 . . . . 41 ASN HD21 . 11234 1 436 . 1 1 41 41 ASN HD22 H 1 6.770 0.030 . 2 . . . . 41 ASN HD22 . 11234 1 437 . 1 1 41 41 ASN C C 13 173.447 0.300 . 1 . . . . 41 ASN C . 11234 1 438 . 1 1 41 41 ASN CA C 13 51.809 0.300 . 1 . . . . 41 ASN CA . 11234 1 439 . 1 1 41 41 ASN CB C 13 42.639 0.300 . 1 . . . . 41 ASN CB . 11234 1 440 . 1 1 41 41 ASN N N 15 117.055 0.300 . 1 . . . . 41 ASN N . 11234 1 441 . 1 1 41 41 ASN ND2 N 15 113.488 0.300 . 1 . . . . 41 ASN ND2 . 11234 1 442 . 1 1 42 42 PHE H H 1 8.445 0.030 . 1 . . . . 42 PHE H . 11234 1 443 . 1 1 42 42 PHE HA H 1 5.195 0.030 . 1 . . . . 42 PHE HA . 11234 1 444 . 1 1 42 42 PHE HB2 H 1 3.314 0.030 . 2 . . . . 42 PHE HB2 . 11234 1 445 . 1 1 42 42 PHE HB3 H 1 2.485 0.030 . 2 . . . . 42 PHE HB3 . 11234 1 446 . 1 1 42 42 PHE HD1 H 1 7.235 0.030 . 1 . . . . 42 PHE HD1 . 11234 1 447 . 1 1 42 42 PHE HD2 H 1 7.235 0.030 . 1 . . . . 42 PHE HD2 . 11234 1 448 . 1 1 42 42 PHE HE1 H 1 7.278 0.030 . 1 . . . . 42 PHE HE1 . 11234 1 449 . 1 1 42 42 PHE HE2 H 1 7.278 0.030 . 1 . . . . 42 PHE HE2 . 11234 1 450 . 1 1 42 42 PHE HZ H 1 7.604 0.030 . 1 . . . . 42 PHE HZ . 11234 1 451 . 1 1 42 42 PHE C C 13 174.639 0.300 . 1 . . . . 42 PHE C . 11234 1 452 . 1 1 42 42 PHE CA C 13 55.624 0.300 . 1 . . . . 42 PHE CA . 11234 1 453 . 1 1 42 42 PHE CB C 13 45.587 0.300 . 1 . . . . 42 PHE CB . 11234 1 454 . 1 1 42 42 PHE CD1 C 13 132.218 0.300 . 1 . . . . 42 PHE CD1 . 11234 1 455 . 1 1 42 42 PHE CD2 C 13 132.218 0.300 . 1 . . . . 42 PHE CD2 . 11234 1 456 . 1 1 42 42 PHE CE1 C 13 130.247 0.300 . 1 . . . . 42 PHE CE1 . 11234 1 457 . 1 1 42 42 PHE CE2 C 13 130.247 0.300 . 1 . . . . 42 PHE CE2 . 11234 1 458 . 1 1 42 42 PHE CZ C 13 129.884 0.300 . 1 . . . . 42 PHE CZ . 11234 1 459 . 1 1 42 42 PHE N N 15 115.701 0.300 . 1 . . . . 42 PHE N . 11234 1 460 . 1 1 43 43 CYS H H 1 8.974 0.030 . 1 . . . . 43 CYS H . 11234 1 461 . 1 1 43 43 CYS HA H 1 4.652 0.030 . 1 . . . . 43 CYS HA . 11234 1 462 . 1 1 43 43 CYS HB2 H 1 3.480 0.030 . 2 . . . . 43 CYS HB2 . 11234 1 463 . 1 1 43 43 CYS HB3 H 1 3.263 0.030 . 2 . . . . 43 CYS HB3 . 11234 1 464 . 1 1 43 43 CYS C C 13 176.563 0.300 . 1 . . . . 43 CYS C . 11234 1 465 . 1 1 43 43 CYS CA C 13 58.745 0.300 . 1 . . . . 43 CYS CA . 11234 1 466 . 1 1 43 43 CYS CB C 13 31.996 0.300 . 1 . . . . 43 CYS CB . 11234 1 467 . 1 1 43 43 CYS N N 15 121.821 0.300 . 1 . . . . 43 CYS N . 11234 1 468 . 1 1 44 44 LEU H H 1 8.350 0.030 . 1 . . . . 44 LEU H . 11234 1 469 . 1 1 44 44 LEU HA H 1 4.067 0.030 . 1 . . . . 44 LEU HA . 11234 1 470 . 1 1 44 44 LEU HB2 H 1 1.824 0.030 . 1 . . . . 44 LEU HB2 . 11234 1 471 . 1 1 44 44 LEU HB3 H 1 1.824 0.030 . 1 . . . . 44 LEU HB3 . 11234 1 472 . 1 1 44 44 LEU HD11 H 1 0.926 0.030 . 1 . . . . 44 LEU HD1 . 11234 1 473 . 1 1 44 44 LEU HD12 H 1 0.926 0.030 . 1 . . . . 44 LEU HD1 . 11234 1 474 . 1 1 44 44 LEU HD13 H 1 0.926 0.030 . 1 . . . . 44 LEU HD1 . 11234 1 475 . 1 1 44 44 LEU HD21 H 1 0.911 0.030 . 1 . . . . 44 LEU HD2 . 11234 1 476 . 1 1 44 44 LEU HD22 H 1 0.911 0.030 . 1 . . . . 44 LEU HD2 . 11234 1 477 . 1 1 44 44 LEU HD23 H 1 0.911 0.030 . 1 . . . . 44 LEU HD2 . 11234 1 478 . 1 1 44 44 LEU HG H 1 1.549 0.030 . 1 . . . . 44 LEU HG . 11234 1 479 . 1 1 44 44 LEU C C 13 179.905 0.300 . 1 . . . . 44 LEU C . 11234 1 480 . 1 1 44 44 LEU CA C 13 58.353 0.300 . 1 . . . . 44 LEU CA . 11234 1 481 . 1 1 44 44 LEU CB C 13 41.810 0.300 . 1 . . . . 44 LEU CB . 11234 1 482 . 1 1 44 44 LEU CD1 C 13 25.601 0.300 . 2 . . . . 44 LEU CD1 . 11234 1 483 . 1 1 44 44 LEU CD2 C 13 23.317 0.300 . 2 . . . . 44 LEU CD2 . 11234 1 484 . 1 1 44 44 LEU CG C 13 27.123 0.300 . 1 . . . . 44 LEU CG . 11234 1 485 . 1 1 44 44 LEU N N 15 122.305 0.300 . 1 . . . . 44 LEU N . 11234 1 486 . 1 1 45 45 LYS H H 1 8.632 0.030 . 1 . . . . 45 LYS H . 11234 1 487 . 1 1 45 45 LYS HA H 1 4.033 0.030 . 1 . . . . 45 LYS HA . 11234 1 488 . 1 1 45 45 LYS HB2 H 1 2.078 0.030 . 2 . . . . 45 LYS HB2 . 11234 1 489 . 1 1 45 45 LYS HB3 H 1 1.968 0.030 . 2 . . . . 45 LYS HB3 . 11234 1 490 . 1 1 45 45 LYS HD2 H 1 1.724 0.030 . 1 . . . . 45 LYS HD2 . 11234 1 491 . 1 1 45 45 LYS HD3 H 1 1.724 0.030 . 1 . . . . 45 LYS HD3 . 11234 1 492 . 1 1 45 45 LYS HE2 H 1 3.015 0.030 . 2 . . . . 45 LYS HE2 . 11234 1 493 . 1 1 45 45 LYS HE3 H 1 3.083 0.030 . 2 . . . . 45 LYS HE3 . 11234 1 494 . 1 1 45 45 LYS HG2 H 1 1.399 0.030 . 2 . . . . 45 LYS HG2 . 11234 1 495 . 1 1 45 45 LYS HG3 H 1 1.609 0.030 . 2 . . . . 45 LYS HG3 . 11234 1 496 . 1 1 45 45 LYS C C 13 178.773 0.300 . 1 . . . . 45 LYS C . 11234 1 497 . 1 1 45 45 LYS CA C 13 59.769 0.300 . 1 . . . . 45 LYS CA . 11234 1 498 . 1 1 45 45 LYS CB C 13 31.758 0.300 . 1 . . . . 45 LYS CB . 11234 1 499 . 1 1 45 45 LYS CD C 13 29.168 0.300 . 1 . . . . 45 LYS CD . 11234 1 500 . 1 1 45 45 LYS CE C 13 42.277 0.300 . 1 . . . . 45 LYS CE . 11234 1 501 . 1 1 45 45 LYS CG C 13 24.752 0.300 . 1 . . . . 45 LYS CG . 11234 1 502 . 1 1 45 45 LYS N N 15 120.634 0.300 . 1 . . . . 45 LYS N . 11234 1 503 . 1 1 46 46 CYS H H 1 8.363 0.030 . 1 . . . . 46 CYS H . 11234 1 504 . 1 1 46 46 CYS HA H 1 3.974 0.030 . 1 . . . . 46 CYS HA . 11234 1 505 . 1 1 46 46 CYS HB2 H 1 3.072 0.030 . 2 . . . . 46 CYS HB2 . 11234 1 506 . 1 1 46 46 CYS HB3 H 1 2.837 0.030 . 2 . . . . 46 CYS HB3 . 11234 1 507 . 1 1 46 46 CYS C C 13 178.197 0.300 . 1 . . . . 46 CYS C . 11234 1 508 . 1 1 46 46 CYS CA C 13 64.975 0.300 . 1 . . . . 46 CYS CA . 11234 1 509 . 1 1 46 46 CYS CB C 13 29.216 0.300 . 1 . . . . 46 CYS CB . 11234 1 510 . 1 1 47 47 ILE H H 1 8.029 0.030 . 1 . . . . 47 ILE H . 11234 1 511 . 1 1 47 47 ILE HA H 1 3.662 0.030 . 1 . . . . 47 ILE HA . 11234 1 512 . 1 1 47 47 ILE HB H 1 1.735 0.030 . 1 . . . . 47 ILE HB . 11234 1 513 . 1 1 47 47 ILE HD11 H 1 0.447 0.030 . 1 . . . . 47 ILE HD1 . 11234 1 514 . 1 1 47 47 ILE HD12 H 1 0.447 0.030 . 1 . . . . 47 ILE HD1 . 11234 1 515 . 1 1 47 47 ILE HD13 H 1 0.447 0.030 . 1 . . . . 47 ILE HD1 . 11234 1 516 . 1 1 47 47 ILE HG12 H 1 1.249 0.030 . 2 . . . . 47 ILE HG12 . 11234 1 517 . 1 1 47 47 ILE HG13 H 1 1.037 0.030 . 2 . . . . 47 ILE HG13 . 11234 1 518 . 1 1 47 47 ILE HG21 H 1 0.749 0.030 . 1 . . . . 47 ILE HG2 . 11234 1 519 . 1 1 47 47 ILE HG22 H 1 0.749 0.030 . 1 . . . . 47 ILE HG2 . 11234 1 520 . 1 1 47 47 ILE HG23 H 1 0.749 0.030 . 1 . . . . 47 ILE HG2 . 11234 1 521 . 1 1 47 47 ILE C C 13 177.860 0.300 . 1 . . . . 47 ILE C . 11234 1 522 . 1 1 47 47 ILE CA C 13 62.068 0.300 . 1 . . . . 47 ILE CA . 11234 1 523 . 1 1 47 47 ILE CB C 13 37.664 0.300 . 1 . . . . 47 ILE CB . 11234 1 524 . 1 1 47 47 ILE CD1 C 13 12.801 0.300 . 1 . . . . 47 ILE CD1 . 11234 1 525 . 1 1 47 47 ILE CG1 C 13 28.479 0.300 . 1 . . . . 47 ILE CG1 . 11234 1 526 . 1 1 47 47 ILE CG2 C 13 17.777 0.300 . 1 . . . . 47 ILE CG2 . 11234 1 527 . 1 1 47 47 ILE N N 15 118.205 0.300 . 1 . . . . 47 ILE N . 11234 1 528 . 1 1 48 48 THR H H 1 8.017 0.030 . 1 . . . . 48 THR H . 11234 1 529 . 1 1 48 48 THR HA H 1 3.913 0.030 . 1 . . . . 48 THR HA . 11234 1 530 . 1 1 48 48 THR HB H 1 4.283 0.030 . 1 . . . . 48 THR HB . 11234 1 531 . 1 1 48 48 THR HG21 H 1 1.241 0.030 . 1 . . . . 48 THR HG2 . 11234 1 532 . 1 1 48 48 THR HG22 H 1 1.241 0.030 . 1 . . . . 48 THR HG2 . 11234 1 533 . 1 1 48 48 THR HG23 H 1 1.241 0.030 . 1 . . . . 48 THR HG2 . 11234 1 534 . 1 1 48 48 THR C C 13 175.738 0.300 . 1 . . . . 48 THR C . 11234 1 535 . 1 1 48 48 THR CA C 13 65.691 0.300 . 1 . . . . 48 THR CA . 11234 1 536 . 1 1 48 48 THR CB C 13 68.967 0.300 . 1 . . . . 48 THR CB . 11234 1 537 . 1 1 48 48 THR CG2 C 13 21.285 0.300 . 1 . . . . 48 THR CG2 . 11234 1 538 . 1 1 48 48 THR N N 15 115.831 0.300 . 1 . . . . 48 THR N . 11234 1 539 . 1 1 49 49 GLN H H 1 7.589 0.030 . 1 . . . . 49 GLN H . 11234 1 540 . 1 1 49 49 GLN HA H 1 4.159 0.030 . 1 . . . . 49 GLN HA . 11234 1 541 . 1 1 49 49 GLN HB2 H 1 2.109 0.030 . 2 . . . . 49 GLN HB2 . 11234 1 542 . 1 1 49 49 GLN HB3 H 1 2.172 0.030 . 2 . . . . 49 GLN HB3 . 11234 1 543 . 1 1 49 49 GLN HE21 H 1 7.432 0.030 . 2 . . . . 49 GLN HE21 . 11234 1 544 . 1 1 49 49 GLN HE22 H 1 6.821 0.030 . 2 . . . . 49 GLN HE22 . 11234 1 545 . 1 1 49 49 GLN HG2 H 1 2.482 0.030 . 2 . . . . 49 GLN HG2 . 11234 1 546 . 1 1 49 49 GLN HG3 H 1 2.351 0.030 . 2 . . . . 49 GLN HG3 . 11234 1 547 . 1 1 49 49 GLN C C 13 177.448 0.300 . 1 . . . . 49 GLN C . 11234 1 548 . 1 1 49 49 GLN CA C 13 57.538 0.300 . 1 . . . . 49 GLN CA . 11234 1 549 . 1 1 49 49 GLN CB C 13 28.935 0.300 . 1 . . . . 49 GLN CB . 11234 1 550 . 1 1 49 49 GLN CG C 13 33.932 0.300 . 1 . . . . 49 GLN CG . 11234 1 551 . 1 1 49 49 GLN N N 15 119.677 0.300 . 1 . . . . 49 GLN N . 11234 1 552 . 1 1 49 49 GLN NE2 N 15 111.855 0.300 . 1 . . . . 49 GLN NE2 . 11234 1 553 . 1 1 50 50 ILE H H 1 7.655 0.030 . 1 . . . . 50 ILE H . 11234 1 554 . 1 1 50 50 ILE HA H 1 3.887 0.030 . 1 . . . . 50 ILE HA . 11234 1 555 . 1 1 50 50 ILE HB H 1 1.712 0.030 . 1 . . . . 50 ILE HB . 11234 1 556 . 1 1 50 50 ILE HD11 H 1 0.583 0.030 . 1 . . . . 50 ILE HD1 . 11234 1 557 . 1 1 50 50 ILE HD12 H 1 0.583 0.030 . 1 . . . . 50 ILE HD1 . 11234 1 558 . 1 1 50 50 ILE HD13 H 1 0.583 0.030 . 1 . . . . 50 ILE HD1 . 11234 1 559 . 1 1 50 50 ILE HG12 H 1 1.489 0.030 . 2 . . . . 50 ILE HG12 . 11234 1 560 . 1 1 50 50 ILE HG13 H 1 1.092 0.030 . 2 . . . . 50 ILE HG13 . 11234 1 561 . 1 1 50 50 ILE HG21 H 1 0.708 0.030 . 1 . . . . 50 ILE HG2 . 11234 1 562 . 1 1 50 50 ILE HG22 H 1 0.708 0.030 . 1 . . . . 50 ILE HG2 . 11234 1 563 . 1 1 50 50 ILE HG23 H 1 0.708 0.030 . 1 . . . . 50 ILE HG2 . 11234 1 564 . 1 1 50 50 ILE C C 13 177.412 0.300 . 1 . . . . 50 ILE C . 11234 1 565 . 1 1 50 50 ILE CA C 13 62.968 0.300 . 1 . . . . 50 ILE CA . 11234 1 566 . 1 1 50 50 ILE CB C 13 37.993 0.300 . 1 . . . . 50 ILE CB . 11234 1 567 . 1 1 50 50 ILE CD1 C 13 13.234 0.300 . 1 . . . . 50 ILE CD1 . 11234 1 568 . 1 1 50 50 ILE CG1 C 13 28.240 0.300 . 1 . . . . 50 ILE CG1 . 11234 1 569 . 1 1 50 50 ILE CG2 C 13 17.500 0.300 . 1 . . . . 50 ILE CG2 . 11234 1 570 . 1 1 50 50 ILE N N 15 119.344 0.300 . 1 . . . . 50 ILE N . 11234 1 571 . 1 1 51 51 GLY H H 1 8.095 0.030 . 1 . . . . 51 GLY H . 11234 1 572 . 1 1 51 51 GLY HA2 H 1 3.833 0.030 . 1 . . . . 51 GLY HA2 . 11234 1 573 . 1 1 51 51 GLY HA3 H 1 3.833 0.030 . 1 . . . . 51 GLY HA3 . 11234 1 574 . 1 1 51 51 GLY C C 13 174.304 0.300 . 1 . . . . 51 GLY C . 11234 1 575 . 1 1 51 51 GLY CA C 13 45.647 0.300 . 1 . . . . 51 GLY CA . 11234 1 576 . 1 1 51 51 GLY N N 15 110.093 0.300 . 1 . . . . 51 GLY N . 11234 1 577 . 1 1 52 52 GLU H H 1 8.108 0.030 . 1 . . . . 52 GLU H . 11234 1 578 . 1 1 52 52 GLU HA H 1 4.470 0.030 . 1 . . . . 52 GLU HA . 11234 1 579 . 1 1 52 52 GLU HB2 H 1 2.173 0.030 . 2 . . . . 52 GLU HB2 . 11234 1 580 . 1 1 52 52 GLU HB3 H 1 2.028 0.030 . 2 . . . . 52 GLU HB3 . 11234 1 581 . 1 1 52 52 GLU HG2 H 1 2.336 0.030 . 2 . . . . 52 GLU HG2 . 11234 1 582 . 1 1 52 52 GLU HG3 H 1 2.266 0.030 . 2 . . . . 52 GLU HG3 . 11234 1 583 . 1 1 52 52 GLU C C 13 177.721 0.300 . 1 . . . . 52 GLU C . 11234 1 584 . 1 1 52 52 GLU CA C 13 56.985 0.300 . 1 . . . . 52 GLU CA . 11234 1 585 . 1 1 52 52 GLU CB C 13 30.499 0.300 . 1 . . . . 52 GLU CB . 11234 1 586 . 1 1 52 52 GLU CG C 13 36.530 0.300 . 1 . . . . 52 GLU CG . 11234 1 587 . 1 1 52 52 GLU N N 15 120.609 0.300 . 1 . . . . 52 GLU N . 11234 1 588 . 1 1 53 53 THR H H 1 8.261 0.030 . 1 . . . . 53 THR H . 11234 1 589 . 1 1 53 53 THR HA H 1 4.444 0.030 . 1 . . . . 53 THR HA . 11234 1 590 . 1 1 53 53 THR HB H 1 4.373 0.030 . 1 . . . . 53 THR HB . 11234 1 591 . 1 1 53 53 THR HG21 H 1 1.239 0.030 . 1 . . . . 53 THR HG2 . 11234 1 592 . 1 1 53 53 THR HG22 H 1 1.239 0.030 . 1 . . . . 53 THR HG2 . 11234 1 593 . 1 1 53 53 THR HG23 H 1 1.239 0.030 . 1 . . . . 53 THR HG2 . 11234 1 594 . 1 1 53 53 THR C C 13 175.247 0.300 . 1 . . . . 53 THR C . 11234 1 595 . 1 1 53 53 THR CA C 13 61.953 0.300 . 1 . . . . 53 THR CA . 11234 1 596 . 1 1 53 53 THR CB C 13 69.584 0.300 . 1 . . . . 53 THR CB . 11234 1 597 . 1 1 53 53 THR CG2 C 13 21.958 0.300 . 1 . . . . 53 THR CG2 . 11234 1 598 . 1 1 53 53 THR N N 15 112.829 0.300 . 1 . . . . 53 THR N . 11234 1 599 . 1 1 54 54 SER H H 1 8.224 0.030 . 1 . . . . 54 SER H . 11234 1 600 . 1 1 54 54 SER HA H 1 4.702 0.030 . 1 . . . . 54 SER HA . 11234 1 601 . 1 1 54 54 SER HB2 H 1 3.725 0.030 . 1 . . . . 54 SER HB2 . 11234 1 602 . 1 1 54 54 SER HB3 H 1 3.725 0.030 . 1 . . . . 54 SER HB3 . 11234 1 603 . 1 1 54 54 SER C C 13 176.022 0.300 . 1 . . . . 54 SER C . 11234 1 604 . 1 1 54 54 SER CA C 13 58.733 0.300 . 1 . . . . 54 SER CA . 11234 1 605 . 1 1 54 54 SER CB C 13 63.334 0.300 . 1 . . . . 54 SER CB . 11234 1 606 . 1 1 54 54 SER N N 15 116.633 0.300 . 1 . . . . 54 SER N . 11234 1 607 . 1 1 55 55 CYS H H 1 8.532 0.030 . 1 . . . . 55 CYS H . 11234 1 608 . 1 1 55 55 CYS HA H 1 4.438 0.030 . 1 . . . . 55 CYS HA . 11234 1 609 . 1 1 55 55 CYS HB2 H 1 3.025 0.030 . 1 . . . . 55 CYS HB2 . 11234 1 610 . 1 1 55 55 CYS HB3 H 1 3.025 0.030 . 1 . . . . 55 CYS HB3 . 11234 1 611 . 1 1 55 55 CYS C C 13 175.402 0.300 . 1 . . . . 55 CYS C . 11234 1 612 . 1 1 55 55 CYS CA C 13 59.461 0.300 . 1 . . . . 55 CYS CA . 11234 1 613 . 1 1 55 55 CYS CB C 13 27.259 0.300 . 1 . . . . 55 CYS CB . 11234 1 614 . 1 1 56 56 GLY H H 1 8.878 0.030 . 1 . . . . 56 GLY H . 11234 1 615 . 1 1 56 56 GLY HA2 H 1 4.087 0.030 . 2 . . . . 56 GLY HA2 . 11234 1 616 . 1 1 56 56 GLY HA3 H 1 3.711 0.030 . 2 . . . . 56 GLY HA3 . 11234 1 617 . 1 1 56 56 GLY C C 13 173.598 0.300 . 1 . . . . 56 GLY C . 11234 1 618 . 1 1 56 56 GLY CA C 13 45.685 0.300 . 1 . . . . 56 GLY CA . 11234 1 619 . 1 1 57 57 PHE H H 1 8.019 0.030 . 1 . . . . 57 PHE H . 11234 1 620 . 1 1 57 57 PHE HA H 1 5.136 0.030 . 1 . . . . 57 PHE HA . 11234 1 621 . 1 1 57 57 PHE HB2 H 1 2.970 0.030 . 2 . . . . 57 PHE HB2 . 11234 1 622 . 1 1 57 57 PHE HB3 H 1 2.879 0.030 . 2 . . . . 57 PHE HB3 . 11234 1 623 . 1 1 57 57 PHE HD1 H 1 7.076 0.030 . 1 . . . . 57 PHE HD1 . 11234 1 624 . 1 1 57 57 PHE HD2 H 1 7.076 0.030 . 1 . . . . 57 PHE HD2 . 11234 1 625 . 1 1 57 57 PHE HE1 H 1 7.301 0.030 . 1 . . . . 57 PHE HE1 . 11234 1 626 . 1 1 57 57 PHE HE2 H 1 7.301 0.030 . 1 . . . . 57 PHE HE2 . 11234 1 627 . 1 1 57 57 PHE HZ H 1 7.305 0.030 . 1 . . . . 57 PHE HZ . 11234 1 628 . 1 1 57 57 PHE C C 13 174.649 0.300 . 1 . . . . 57 PHE C . 11234 1 629 . 1 1 57 57 PHE CA C 13 56.931 0.300 . 1 . . . . 57 PHE CA . 11234 1 630 . 1 1 57 57 PHE CB C 13 41.769 0.300 . 1 . . . . 57 PHE CB . 11234 1 631 . 1 1 57 57 PHE CD1 C 13 131.797 0.300 . 1 . . . . 57 PHE CD1 . 11234 1 632 . 1 1 57 57 PHE CD2 C 13 131.797 0.300 . 1 . . . . 57 PHE CD2 . 11234 1 633 . 1 1 57 57 PHE CE1 C 13 131.172 0.300 . 1 . . . . 57 PHE CE1 . 11234 1 634 . 1 1 57 57 PHE CE2 C 13 131.172 0.300 . 1 . . . . 57 PHE CE2 . 11234 1 635 . 1 1 57 57 PHE CZ C 13 131.118 0.300 . 1 . . . . 57 PHE CZ . 11234 1 636 . 1 1 57 57 PHE N N 15 119.843 0.300 . 1 . . . . 57 PHE N . 11234 1 637 . 1 1 58 58 PHE H H 1 8.904 0.030 . 1 . . . . 58 PHE H . 11234 1 638 . 1 1 58 58 PHE HA H 1 4.772 0.030 . 1 . . . . 58 PHE HA . 11234 1 639 . 1 1 58 58 PHE HB2 H 1 2.927 0.030 . 2 . . . . 58 PHE HB2 . 11234 1 640 . 1 1 58 58 PHE HB3 H 1 3.033 0.030 . 2 . . . . 58 PHE HB3 . 11234 1 641 . 1 1 58 58 PHE HD1 H 1 7.003 0.030 . 1 . . . . 58 PHE HD1 . 11234 1 642 . 1 1 58 58 PHE HD2 H 1 7.003 0.030 . 1 . . . . 58 PHE HD2 . 11234 1 643 . 1 1 58 58 PHE HE1 H 1 6.980 0.030 . 1 . . . . 58 PHE HE1 . 11234 1 644 . 1 1 58 58 PHE HE2 H 1 6.980 0.030 . 1 . . . . 58 PHE HE2 . 11234 1 645 . 1 1 58 58 PHE HZ H 1 6.798 0.030 . 1 . . . . 58 PHE HZ . 11234 1 646 . 1 1 58 58 PHE CA C 13 56.768 0.300 . 1 . . . . 58 PHE CA . 11234 1 647 . 1 1 58 58 PHE CB C 13 41.180 0.300 . 1 . . . . 58 PHE CB . 11234 1 648 . 1 1 58 58 PHE CD1 C 13 132.000 0.300 . 1 . . . . 58 PHE CD1 . 11234 1 649 . 1 1 58 58 PHE CD2 C 13 132.000 0.300 . 1 . . . . 58 PHE CD2 . 11234 1 650 . 1 1 58 58 PHE CE1 C 13 130.471 0.300 . 1 . . . . 58 PHE CE1 . 11234 1 651 . 1 1 58 58 PHE CE2 C 13 130.471 0.300 . 1 . . . . 58 PHE CE2 . 11234 1 652 . 1 1 58 58 PHE CZ C 13 129.105 0.300 . 1 . . . . 58 PHE CZ . 11234 1 653 . 1 1 58 58 PHE N N 15 120.093 0.300 . 1 . . . . 58 PHE N . 11234 1 654 . 1 1 59 59 LYS H H 1 8.136 0.030 . 1 . . . . 59 LYS H . 11234 1 655 . 1 1 59 59 LYS HA H 1 4.576 0.030 . 1 . . . . 59 LYS HA . 11234 1 656 . 1 1 59 59 LYS HB2 H 1 1.507 0.030 . 2 . . . . 59 LYS HB2 . 11234 1 657 . 1 1 59 59 LYS HB3 H 1 1.397 0.030 . 2 . . . . 59 LYS HB3 . 11234 1 658 . 1 1 59 59 LYS HD2 H 1 1.570 0.030 . 1 . . . . 59 LYS HD2 . 11234 1 659 . 1 1 59 59 LYS HD3 H 1 1.570 0.030 . 1 . . . . 59 LYS HD3 . 11234 1 660 . 1 1 59 59 LYS HE2 H 1 2.907 0.030 . 1 . . . . 59 LYS HE2 . 11234 1 661 . 1 1 59 59 LYS HE3 H 1 2.907 0.030 . 1 . . . . 59 LYS HE3 . 11234 1 662 . 1 1 59 59 LYS HG2 H 1 1.156 0.030 . 2 . . . . 59 LYS HG2 . 11234 1 663 . 1 1 59 59 LYS HG3 H 1 1.277 0.030 . 2 . . . . 59 LYS HG3 . 11234 1 664 . 1 1 59 59 LYS C C 13 174.972 0.300 . 1 . . . . 59 LYS C . 11234 1 665 . 1 1 59 59 LYS CA C 13 54.232 0.300 . 1 . . . . 59 LYS CA . 11234 1 666 . 1 1 59 59 LYS CB C 13 33.500 0.300 . 1 . . . . 59 LYS CB . 11234 1 667 . 1 1 59 59 LYS CD C 13 29.198 0.300 . 1 . . . . 59 LYS CD . 11234 1 668 . 1 1 59 59 LYS CE C 13 42.020 0.300 . 1 . . . . 59 LYS CE . 11234 1 669 . 1 1 59 59 LYS CG C 13 24.927 0.300 . 1 . . . . 59 LYS CG . 11234 1 670 . 1 1 60 60 CYS H H 1 8.532 0.030 . 1 . . . . 60 CYS H . 11234 1 671 . 1 1 60 60 CYS HA H 1 4.218 0.030 . 1 . . . . 60 CYS HA . 11234 1 672 . 1 1 60 60 CYS HB2 H 1 3.229 0.030 . 2 . . . . 60 CYS HB2 . 11234 1 673 . 1 1 60 60 CYS HB3 H 1 3.117 0.030 . 2 . . . . 60 CYS HB3 . 11234 1 674 . 1 1 60 60 CYS C C 13 176.474 0.300 . 1 . . . . 60 CYS C . 11234 1 675 . 1 1 60 60 CYS CA C 13 57.107 0.300 . 1 . . . . 60 CYS CA . 11234 1 676 . 1 1 60 60 CYS CB C 13 31.282 0.300 . 1 . . . . 60 CYS CB . 11234 1 677 . 1 1 60 60 CYS N N 15 127.539 0.300 . 1 . . . . 60 CYS N . 11234 1 678 . 1 1 61 61 PRO HA H 1 4.408 0.030 . 1 . . . . 61 PRO HA . 11234 1 679 . 1 1 61 61 PRO HB2 H 1 2.330 0.030 . 2 . . . . 61 PRO HB2 . 11234 1 680 . 1 1 61 61 PRO HB3 H 1 1.933 0.030 . 2 . . . . 61 PRO HB3 . 11234 1 681 . 1 1 61 61 PRO HD2 H 1 3.766 0.030 . 2 . . . . 61 PRO HD2 . 11234 1 682 . 1 1 61 61 PRO HD3 H 1 3.875 0.030 . 2 . . . . 61 PRO HD3 . 11234 1 683 . 1 1 61 61 PRO HG2 H 1 1.849 0.030 . 2 . . . . 61 PRO HG2 . 11234 1 684 . 1 1 61 61 PRO HG3 H 1 1.741 0.030 . 2 . . . . 61 PRO HG3 . 11234 1 685 . 1 1 61 61 PRO C C 13 177.030 0.300 . 1 . . . . 61 PRO C . 11234 1 686 . 1 1 61 61 PRO CA C 13 64.168 0.300 . 1 . . . . 61 PRO CA . 11234 1 687 . 1 1 61 61 PRO CB C 13 32.257 0.300 . 1 . . . . 61 PRO CB . 11234 1 688 . 1 1 61 61 PRO CD C 13 50.663 0.300 . 1 . . . . 61 PRO CD . 11234 1 689 . 1 1 61 61 PRO CG C 13 27.220 0.300 . 1 . . . . 61 PRO CG . 11234 1 690 . 1 1 62 62 LEU H H 1 9.012 0.030 . 1 . . . . 62 LEU H . 11234 1 691 . 1 1 62 62 LEU HA H 1 4.406 0.030 . 1 . . . . 62 LEU HA . 11234 1 692 . 1 1 62 62 LEU HB2 H 1 1.088 0.030 . 1 . . . . 62 LEU HB2 . 11234 1 693 . 1 1 62 62 LEU HB3 H 1 1.088 0.030 . 1 . . . . 62 LEU HB3 . 11234 1 694 . 1 1 62 62 LEU HD11 H 1 0.596 0.030 . 1 . . . . 62 LEU HD1 . 11234 1 695 . 1 1 62 62 LEU HD12 H 1 0.596 0.030 . 1 . . . . 62 LEU HD1 . 11234 1 696 . 1 1 62 62 LEU HD13 H 1 0.596 0.030 . 1 . . . . 62 LEU HD1 . 11234 1 697 . 1 1 62 62 LEU HD21 H 1 0.711 0.030 . 1 . . . . 62 LEU HD2 . 11234 1 698 . 1 1 62 62 LEU HD22 H 1 0.711 0.030 . 1 . . . . 62 LEU HD2 . 11234 1 699 . 1 1 62 62 LEU HD23 H 1 0.711 0.030 . 1 . . . . 62 LEU HD2 . 11234 1 700 . 1 1 62 62 LEU HG H 1 1.483 0.030 . 1 . . . . 62 LEU HG . 11234 1 701 . 1 1 62 62 LEU C C 13 178.341 0.300 . 1 . . . . 62 LEU C . 11234 1 702 . 1 1 62 62 LEU CA C 13 56.607 0.300 . 1 . . . . 62 LEU CA . 11234 1 703 . 1 1 62 62 LEU CB C 13 42.251 0.300 . 1 . . . . 62 LEU CB . 11234 1 704 . 1 1 62 62 LEU CD1 C 13 25.132 0.300 . 2 . . . . 62 LEU CD1 . 11234 1 705 . 1 1 62 62 LEU CD2 C 13 22.728 0.300 . 2 . . . . 62 LEU CD2 . 11234 1 706 . 1 1 62 62 LEU CG C 13 27.495 0.300 . 1 . . . . 62 LEU CG . 11234 1 707 . 1 1 62 62 LEU N N 15 121.375 0.300 . 1 . . . . 62 LEU N . 11234 1 708 . 1 1 63 63 CYS H H 1 8.744 0.030 . 1 . . . . 63 CYS H . 11234 1 709 . 1 1 63 63 CYS HA H 1 4.742 0.030 . 1 . . . . 63 CYS HA . 11234 1 710 . 1 1 63 63 CYS HB2 H 1 2.977 0.030 . 2 . . . . 63 CYS HB2 . 11234 1 711 . 1 1 63 63 CYS HB3 H 1 3.226 0.030 . 2 . . . . 63 CYS HB3 . 11234 1 712 . 1 1 63 63 CYS C C 13 175.678 0.300 . 1 . . . . 63 CYS C . 11234 1 713 . 1 1 63 63 CYS CA C 13 57.058 0.300 . 1 . . . . 63 CYS CA . 11234 1 714 . 1 1 63 63 CYS CB C 13 31.200 0.300 . 1 . . . . 63 CYS CB . 11234 1 715 . 1 1 64 64 LYS H H 1 8.168 0.030 . 1 . . . . 64 LYS H . 11234 1 716 . 1 1 64 64 LYS HA H 1 4.089 0.030 . 1 . . . . 64 LYS HA . 11234 1 717 . 1 1 64 64 LYS HB2 H 1 1.938 0.030 . 2 . . . . 64 LYS HB2 . 11234 1 718 . 1 1 64 64 LYS HB3 H 1 2.085 0.030 . 2 . . . . 64 LYS HB3 . 11234 1 719 . 1 1 64 64 LYS HD2 H 1 1.660 0.030 . 2 . . . . 64 LYS HD2 . 11234 1 720 . 1 1 64 64 LYS HD3 H 1 1.581 0.030 . 2 . . . . 64 LYS HD3 . 11234 1 721 . 1 1 64 64 LYS HE2 H 1 2.965 0.030 . 1 . . . . 64 LYS HE2 . 11234 1 722 . 1 1 64 64 LYS HE3 H 1 2.965 0.030 . 1 . . . . 64 LYS HE3 . 11234 1 723 . 1 1 64 64 LYS HG2 H 1 1.288 0.030 . 2 . . . . 64 LYS HG2 . 11234 1 724 . 1 1 64 64 LYS HG3 H 1 1.360 0.030 . 2 . . . . 64 LYS HG3 . 11234 1 725 . 1 1 64 64 LYS C C 13 172.792 0.300 . 1 . . . . 64 LYS C . 11234 1 726 . 1 1 64 64 LYS CA C 13 57.532 0.300 . 1 . . . . 64 LYS CA . 11234 1 727 . 1 1 64 64 LYS CB C 13 29.954 0.300 . 1 . . . . 64 LYS CB . 11234 1 728 . 1 1 64 64 LYS CD C 13 28.899 0.300 . 1 . . . . 64 LYS CD . 11234 1 729 . 1 1 64 64 LYS CE C 13 42.383 0.300 . 1 . . . . 64 LYS CE . 11234 1 730 . 1 1 64 64 LYS CG C 13 25.041 0.300 . 1 . . . . 64 LYS CG . 11234 1 731 . 1 1 64 64 LYS N N 15 117.415 0.300 . 1 . . . . 64 LYS N . 11234 1 732 . 1 1 65 65 THR H H 1 7.709 0.030 . 1 . . . . 65 THR H . 11234 1 733 . 1 1 65 65 THR HA H 1 4.247 0.030 . 1 . . . . 65 THR HA . 11234 1 734 . 1 1 65 65 THR HB H 1 4.063 0.030 . 1 . . . . 65 THR HB . 11234 1 735 . 1 1 65 65 THR HG21 H 1 1.201 0.030 . 1 . . . . 65 THR HG2 . 11234 1 736 . 1 1 65 65 THR HG22 H 1 1.201 0.030 . 1 . . . . 65 THR HG2 . 11234 1 737 . 1 1 65 65 THR HG23 H 1 1.201 0.030 . 1 . . . . 65 THR HG2 . 11234 1 738 . 1 1 65 65 THR C C 13 174.036 0.300 . 1 . . . . 65 THR C . 11234 1 739 . 1 1 65 65 THR CA C 13 62.838 0.300 . 1 . . . . 65 THR CA . 11234 1 740 . 1 1 65 65 THR CB C 13 69.504 0.300 . 1 . . . . 65 THR CB . 11234 1 741 . 1 1 65 65 THR CG2 C 13 21.242 0.300 . 1 . . . . 65 THR CG2 . 11234 1 742 . 1 1 65 65 THR N N 15 115.104 0.300 . 1 . . . . 65 THR N . 11234 1 743 . 1 1 66 66 SER H H 1 8.879 0.030 . 1 . . . . 66 SER H . 11234 1 744 . 1 1 66 66 SER HA H 1 4.533 0.030 . 1 . . . . 66 SER HA . 11234 1 745 . 1 1 66 66 SER HB2 H 1 3.952 0.030 . 1 . . . . 66 SER HB2 . 11234 1 746 . 1 1 66 66 SER HB3 H 1 3.952 0.030 . 1 . . . . 66 SER HB3 . 11234 1 747 . 1 1 66 66 SER CA C 13 58.504 0.300 . 1 . . . . 66 SER CA . 11234 1 748 . 1 1 66 66 SER CB C 13 63.832 0.300 . 1 . . . . 66 SER CB . 11234 1 749 . 1 1 66 66 SER N N 15 123.272 0.300 . 1 . . . . 66 SER N . 11234 1 750 . 1 1 67 67 VAL H H 1 8.400 0.030 . 1 . . . . 67 VAL H . 11234 1 751 . 1 1 67 67 VAL HA H 1 4.421 0.030 . 1 . . . . 67 VAL HA . 11234 1 752 . 1 1 67 67 VAL HB H 1 1.925 0.030 . 1 . . . . 67 VAL HB . 11234 1 753 . 1 1 67 67 VAL HG11 H 1 0.665 0.030 . 1 . . . . 67 VAL HG1 . 11234 1 754 . 1 1 67 67 VAL HG12 H 1 0.665 0.030 . 1 . . . . 67 VAL HG1 . 11234 1 755 . 1 1 67 67 VAL HG13 H 1 0.665 0.030 . 1 . . . . 67 VAL HG1 . 11234 1 756 . 1 1 67 67 VAL HG21 H 1 0.971 0.030 . 1 . . . . 67 VAL HG2 . 11234 1 757 . 1 1 67 67 VAL HG22 H 1 0.971 0.030 . 1 . . . . 67 VAL HG2 . 11234 1 758 . 1 1 67 67 VAL HG23 H 1 0.971 0.030 . 1 . . . . 67 VAL HG2 . 11234 1 759 . 1 1 67 67 VAL C C 13 174.841 0.300 . 1 . . . . 67 VAL C . 11234 1 760 . 1 1 67 67 VAL CA C 13 60.607 0.300 . 1 . . . . 67 VAL CA . 11234 1 761 . 1 1 67 67 VAL CB C 13 34.047 0.300 . 1 . . . . 67 VAL CB . 11234 1 762 . 1 1 67 67 VAL CG1 C 13 20.032 0.300 . 2 . . . . 67 VAL CG1 . 11234 1 763 . 1 1 67 67 VAL CG2 C 13 21.798 0.300 . 2 . . . . 67 VAL CG2 . 11234 1 764 . 1 1 68 68 ARG H H 1 8.396 0.030 . 1 . . . . 68 ARG H . 11234 1 765 . 1 1 68 68 ARG HA H 1 4.124 0.030 . 1 . . . . 68 ARG HA . 11234 1 766 . 1 1 68 68 ARG HB2 H 1 1.723 0.030 . 2 . . . . 68 ARG HB2 . 11234 1 767 . 1 1 68 68 ARG HB3 H 1 1.685 0.030 . 2 . . . . 68 ARG HB3 . 11234 1 768 . 1 1 68 68 ARG HD2 H 1 3.089 0.030 . 2 . . . . 68 ARG HD2 . 11234 1 769 . 1 1 68 68 ARG HD3 H 1 3.134 0.030 . 2 . . . . 68 ARG HD3 . 11234 1 770 . 1 1 68 68 ARG HG2 H 1 1.531 0.030 . 2 . . . . 68 ARG HG2 . 11234 1 771 . 1 1 68 68 ARG HG3 H 1 1.432 0.030 . 2 . . . . 68 ARG HG3 . 11234 1 772 . 1 1 68 68 ARG C C 13 176.751 0.300 . 1 . . . . 68 ARG C . 11234 1 773 . 1 1 68 68 ARG CA C 13 56.062 0.300 . 1 . . . . 68 ARG CA . 11234 1 774 . 1 1 68 68 ARG CB C 13 30.970 0.300 . 1 . . . . 68 ARG CB . 11234 1 775 . 1 1 68 68 ARG CD C 13 43.328 0.300 . 1 . . . . 68 ARG CD . 11234 1 776 . 1 1 68 68 ARG CG C 13 27.340 0.300 . 1 . . . . 68 ARG CG . 11234 1 777 . 1 1 68 68 ARG N N 15 123.251 0.300 . 1 . . . . 68 ARG N . 11234 1 778 . 1 1 69 69 LYS H H 1 8.288 0.030 . 1 . . . . 69 LYS H . 11234 1 779 . 1 1 69 69 LYS HA H 1 4.208 0.030 . 1 . . . . 69 LYS HA . 11234 1 780 . 1 1 69 69 LYS HB2 H 1 1.747 0.030 . 2 . . . . 69 LYS HB2 . 11234 1 781 . 1 1 69 69 LYS HB3 H 1 1.622 0.030 . 2 . . . . 69 LYS HB3 . 11234 1 782 . 1 1 69 69 LYS HD2 H 1 1.606 0.030 . 1 . . . . 69 LYS HD2 . 11234 1 783 . 1 1 69 69 LYS HD3 H 1 1.606 0.030 . 1 . . . . 69 LYS HD3 . 11234 1 784 . 1 1 69 69 LYS HE2 H 1 2.884 0.030 . 1 . . . . 69 LYS HE2 . 11234 1 785 . 1 1 69 69 LYS HE3 H 1 2.884 0.030 . 1 . . . . 69 LYS HE3 . 11234 1 786 . 1 1 69 69 LYS HG2 H 1 1.354 0.030 . 2 . . . . 69 LYS HG2 . 11234 1 787 . 1 1 69 69 LYS HG3 H 1 1.332 0.030 . 2 . . . . 69 LYS HG3 . 11234 1 788 . 1 1 69 69 LYS C C 13 176.171 0.300 . 1 . . . . 69 LYS C . 11234 1 789 . 1 1 69 69 LYS CA C 13 57.062 0.300 . 1 . . . . 69 LYS CA . 11234 1 790 . 1 1 69 69 LYS CB C 13 33.000 0.300 . 1 . . . . 69 LYS CB . 11234 1 791 . 1 1 69 69 LYS CD C 13 29.341 0.300 . 1 . . . . 69 LYS CD . 11234 1 792 . 1 1 69 69 LYS CE C 13 42.030 0.300 . 1 . . . . 69 LYS CE . 11234 1 793 . 1 1 69 69 LYS CG C 13 25.100 0.300 . 1 . . . . 69 LYS CG . 11234 1 794 . 1 1 69 69 LYS N N 15 123.015 0.300 . 1 . . . . 69 LYS N . 11234 1 795 . 1 1 70 70 ASN H H 1 8.390 0.030 . 1 . . . . 70 ASN H . 11234 1 796 . 1 1 70 70 ASN HA H 1 4.642 0.030 . 1 . . . . 70 ASN HA . 11234 1 797 . 1 1 70 70 ASN HB2 H 1 2.769 0.030 . 1 . . . . 70 ASN HB2 . 11234 1 798 . 1 1 70 70 ASN HB3 H 1 2.769 0.030 . 1 . . . . 70 ASN HB3 . 11234 1 799 . 1 1 70 70 ASN HD21 H 1 7.583 0.030 . 2 . . . . 70 ASN HD21 . 11234 1 800 . 1 1 70 70 ASN HD22 H 1 6.885 0.030 . 2 . . . . 70 ASN HD22 . 11234 1 801 . 1 1 70 70 ASN C C 13 174.673 0.300 . 1 . . . . 70 ASN C . 11234 1 802 . 1 1 70 70 ASN CA C 13 53.239 0.300 . 1 . . . . 70 ASN CA . 11234 1 803 . 1 1 70 70 ASN CB C 13 38.693 0.300 . 1 . . . . 70 ASN CB . 11234 1 804 . 1 1 70 70 ASN N N 15 118.921 0.300 . 1 . . . . 70 ASN N . 11234 1 805 . 1 1 70 70 ASN ND2 N 15 112.450 0.300 . 1 . . . . 70 ASN ND2 . 11234 1 806 . 1 1 71 71 ALA H H 1 8.059 0.030 . 1 . . . . 71 ALA H . 11234 1 807 . 1 1 71 71 ALA HA H 1 4.357 0.030 . 1 . . . . 71 ALA HA . 11234 1 808 . 1 1 71 71 ALA HB1 H 1 1.377 0.030 . 1 . . . . 71 ALA HB . 11234 1 809 . 1 1 71 71 ALA HB2 H 1 1.377 0.030 . 1 . . . . 71 ALA HB . 11234 1 810 . 1 1 71 71 ALA HB3 H 1 1.377 0.030 . 1 . . . . 71 ALA HB . 11234 1 811 . 1 1 71 71 ALA C C 13 177.204 0.300 . 1 . . . . 71 ALA C . 11234 1 812 . 1 1 71 71 ALA CA C 13 52.367 0.300 . 1 . . . . 71 ALA CA . 11234 1 813 . 1 1 71 71 ALA CB C 13 19.398 0.300 . 1 . . . . 71 ALA CB . 11234 1 814 . 1 1 71 71 ALA N N 15 123.839 0.300 . 1 . . . . 71 ALA N . 11234 1 815 . 1 1 72 72 ILE H H 1 7.994 0.030 . 1 . . . . 72 ILE H . 11234 1 816 . 1 1 72 72 ILE HA H 1 4.156 0.030 . 1 . . . . 72 ILE HA . 11234 1 817 . 1 1 72 72 ILE HB H 1 1.878 0.030 . 1 . . . . 72 ILE HB . 11234 1 818 . 1 1 72 72 ILE HD11 H 1 0.846 0.030 . 1 . . . . 72 ILE HD1 . 11234 1 819 . 1 1 72 72 ILE HD12 H 1 0.846 0.030 . 1 . . . . 72 ILE HD1 . 11234 1 820 . 1 1 72 72 ILE HD13 H 1 0.846 0.030 . 1 . . . . 72 ILE HD1 . 11234 1 821 . 1 1 72 72 ILE HG12 H 1 1.489 0.030 . 2 . . . . 72 ILE HG12 . 11234 1 822 . 1 1 72 72 ILE HG13 H 1 1.168 0.030 . 2 . . . . 72 ILE HG13 . 11234 1 823 . 1 1 72 72 ILE HG21 H 1 0.898 0.030 . 1 . . . . 72 ILE HG2 . 11234 1 824 . 1 1 72 72 ILE HG22 H 1 0.898 0.030 . 1 . . . . 72 ILE HG2 . 11234 1 825 . 1 1 72 72 ILE HG23 H 1 0.898 0.030 . 1 . . . . 72 ILE HG2 . 11234 1 826 . 1 1 72 72 ILE C C 13 175.225 0.300 . 1 . . . . 72 ILE C . 11234 1 827 . 1 1 72 72 ILE CA C 13 61.377 0.300 . 1 . . . . 72 ILE CA . 11234 1 828 . 1 1 72 72 ILE CB C 13 38.529 0.300 . 1 . . . . 72 ILE CB . 11234 1 829 . 1 1 72 72 ILE CD1 C 13 13.052 0.300 . 1 . . . . 72 ILE CD1 . 11234 1 830 . 1 1 72 72 ILE CG1 C 13 27.155 0.300 . 1 . . . . 72 ILE CG1 . 11234 1 831 . 1 1 72 72 ILE CG2 C 13 17.700 0.300 . 1 . . . . 72 ILE CG2 . 11234 1 832 . 1 1 72 72 ILE N N 15 120.170 0.300 . 1 . . . . 72 ILE N . 11234 1 833 . 1 1 73 73 ARG H H 1 7.932 0.030 . 1 . . . . 73 ARG H . 11234 1 834 . 1 1 73 73 ARG HA H 1 4.206 0.030 . 1 . . . . 73 ARG HA . 11234 1 835 . 1 1 73 73 ARG HB2 H 1 1.833 0.030 . 2 . . . . 73 ARG HB2 . 11234 1 836 . 1 1 73 73 ARG HB3 H 1 1.710 0.030 . 2 . . . . 73 ARG HB3 . 11234 1 837 . 1 1 73 73 ARG HD2 H 1 3.176 0.030 . 1 . . . . 73 ARG HD2 . 11234 1 838 . 1 1 73 73 ARG HD3 H 1 3.176 0.030 . 1 . . . . 73 ARG HD3 . 11234 1 839 . 1 1 73 73 ARG HG2 H 1 1.561 0.030 . 1 . . . . 73 ARG HG2 . 11234 1 840 . 1 1 73 73 ARG HG3 H 1 1.561 0.030 . 1 . . . . 73 ARG HG3 . 11234 1 841 . 1 1 73 73 ARG C C 13 180.571 0.300 . 1 . . . . 73 ARG C . 11234 1 842 . 1 1 73 73 ARG CA C 13 57.285 0.300 . 1 . . . . 73 ARG CA . 11234 1 843 . 1 1 73 73 ARG CB C 13 31.723 0.300 . 1 . . . . 73 ARG CB . 11234 1 844 . 1 1 73 73 ARG CD C 13 43.500 0.300 . 1 . . . . 73 ARG CD . 11234 1 845 . 1 1 73 73 ARG CG C 13 27.077 0.300 . 1 . . . . 73 ARG CG . 11234 1 846 . 1 1 73 73 ARG N N 15 129.890 0.300 . 1 . . . . 73 ARG N . 11234 1 stop_ save_