data_11164 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11164 _Entry.Title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of TNF receptor-associated factor 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _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 H. Abe . . . 11164 2 K. Miyamoto . . . 11164 3 N. Tochio . . . 11164 4 M. Yoneyama . . . 11164 5 T. Kigawa . . . 11164 6 S. Yokoyama . . . 11164 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)' . 11164 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11164 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 11164 '15N chemical shifts' 59 11164 '1H chemical shifts' 413 11164 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 . . 2011-05-05 2010-04-15 original author . 11164 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECY 'BMRB Entry Tracking System' 11164 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11164 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of TNF receptor-associated factor 3 ; _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 H. Abe . . . 11164 1 2 K. Miyamoto . . . 11164 1 3 N. Tochio . . . 11164 1 4 M. Yoneyama . . . 11164 1 5 T. Kigawa . . . 11164 1 6 S. Yokoyama . . . 11164 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11164 _Assembly.ID 1 _Assembly.Name 'TNF receptor-associated factor 3' _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, residues 8-66' 1 $entity_1 A . yes native no no . . . 11164 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11164 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11164 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, residues 8-66' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11164 1 2 coordination single . 1 'RING-type, residues 8-66' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11164 1 3 coordination single . 1 'RING-type, residues 8-66' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11164 1 4 coordination single . 1 'RING-type, residues 8-66' 1 HIS 35 35 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 35 HIS ND1 . . . . ZN 11164 1 5 coordination single . 1 'RING-type, residues 8-66' 1 CYS 38 38 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11164 1 6 coordination single . 1 'RING-type, residues 8-66' 1 CYS 41 41 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11164 1 7 coordination single . 1 'RING-type, residues 8-66' 1 CYS 53 53 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 53 CYS SG . . . . ZN 11164 1 8 coordination single . 1 'RING-type, residues 8-66' 1 CYS 56 56 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 56 CYS SG . . . . ZN 11164 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 53 53 HG . 53 CYS HG 11164 1 . . 1 1 CYS 56 56 HG . 56 CYS HG 11164 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11164 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11164 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11164 1 . . 1 1 HIS 35 35 HD1 . 35 HIS HD1 11164 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11164 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11164 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 2ecy . . . . . . 11164 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11164 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING-type, residues 8-66' _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 ; GSSGSSGFVKTVEDKYKCEK CHLVLCSPKQTECGHRFCES CMAALLSSSSPKCTACQESI VKDKVF ; _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 66 _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 2ECY . 'Solution Structure Of The Zinc Finger, C3hc4 Type (Ring Finger)" Domain Of Tnf Receptor-Associated Factor 3' . . . . . 100.00 66 100.00 100.00 9.78e-38 . . . . 11164 1 2 no DBJ BAH13910 . "unnamed protein product [Homo sapiens]" . . . . . 89.39 485 100.00 100.00 2.15e-31 . . . . 11164 1 3 no DBJ BAI45792 . "TNF receptor-associated factor 3 [synthetic construct]" . . . . . 89.39 568 100.00 100.00 5.50e-31 . . . . 11164 1 4 no EMBL CAD62311 . "unnamed protein product [Homo sapiens]" . . . . . 89.39 568 100.00 100.00 5.50e-31 . . . . 11164 1 5 no GB AAA56753 . "CD40 binding protein [Homo sapiens]" . . . . . 89.39 567 100.00 100.00 5.68e-31 . . . . 11164 1 6 no GB AAA65732 . "LMP1 associated protein [Homo sapiens]" . . . . . 89.39 568 100.00 100.00 5.50e-31 . . . . 11164 1 7 no GB AAA68195 . "CD40-associated protein [Homo sapiens]" . . . . . 89.39 543 100.00 100.00 3.16e-31 . . . . 11164 1 8 no GB AAC50112 . "CD40 receptor associated factor 1 [Homo sapiens]" . . . . . 89.39 568 100.00 100.00 5.56e-31 . . . . 11164 1 9 no GB AAH75086 . "TNF receptor-associated factor 3 [Homo sapiens]" . . . . . 89.39 568 100.00 100.00 5.50e-31 . . . . 11164 1 10 no REF NP_001186356 . "TNF receptor-associated factor 3 isoform 3 [Homo sapiens]" . . . . . 89.39 485 100.00 100.00 2.00e-31 . . . . 11164 1 11 no REF NP_003291 . "TNF receptor-associated factor 3 isoform 1 [Homo sapiens]" . . . . . 89.39 568 100.00 100.00 5.50e-31 . . . . 11164 1 12 no REF NP_663777 . "TNF receptor-associated factor 3 isoform 1 [Homo sapiens]" . . . . . 89.39 568 100.00 100.00 5.50e-31 . . . . 11164 1 13 no REF NP_663778 . "TNF receptor-associated factor 3 isoform 2 [Homo sapiens]" . . . . . 89.39 543 100.00 100.00 3.25e-31 . . . . 11164 1 14 no REF XP_004055781 . "PREDICTED: TNF receptor-associated factor 3 isoform 1 [Gorilla gorilla gorilla]" . . . . . 89.39 568 98.31 98.31 7.18e-30 . . . . 11164 1 15 no SP Q13114 . "RecName: Full=TNF receptor-associated factor 3; AltName: Full=CAP-1; AltName: Full=CD40 receptor-associated factor 1; Short=CRA" . . . . . 89.39 568 100.00 100.00 5.50e-31 . . . . 11164 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING-type, residues 8-66' . 11164 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 . 11164 1 2 . SER . 11164 1 3 . SER . 11164 1 4 . GLY . 11164 1 5 . SER . 11164 1 6 . SER . 11164 1 7 . GLY . 11164 1 8 . PHE . 11164 1 9 . VAL . 11164 1 10 . LYS . 11164 1 11 . THR . 11164 1 12 . VAL . 11164 1 13 . GLU . 11164 1 14 . ASP . 11164 1 15 . LYS . 11164 1 16 . TYR . 11164 1 17 . LYS . 11164 1 18 . CYS . 11164 1 19 . GLU . 11164 1 20 . LYS . 11164 1 21 . CYS . 11164 1 22 . HIS . 11164 1 23 . LEU . 11164 1 24 . VAL . 11164 1 25 . LEU . 11164 1 26 . CYS . 11164 1 27 . SER . 11164 1 28 . PRO . 11164 1 29 . LYS . 11164 1 30 . GLN . 11164 1 31 . THR . 11164 1 32 . GLU . 11164 1 33 . CYS . 11164 1 34 . GLY . 11164 1 35 . HIS . 11164 1 36 . ARG . 11164 1 37 . PHE . 11164 1 38 . CYS . 11164 1 39 . GLU . 11164 1 40 . SER . 11164 1 41 . CYS . 11164 1 42 . MET . 11164 1 43 . ALA . 11164 1 44 . ALA . 11164 1 45 . LEU . 11164 1 46 . LEU . 11164 1 47 . SER . 11164 1 48 . SER . 11164 1 49 . SER . 11164 1 50 . SER . 11164 1 51 . PRO . 11164 1 52 . LYS . 11164 1 53 . CYS . 11164 1 54 . THR . 11164 1 55 . ALA . 11164 1 56 . CYS . 11164 1 57 . GLN . 11164 1 58 . GLU . 11164 1 59 . SER . 11164 1 60 . ILE . 11164 1 61 . VAL . 11164 1 62 . LYS . 11164 1 63 . ASP . 11164 1 64 . LYS . 11164 1 65 . VAL . 11164 1 66 . PHE . 11164 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 11164 1 . SER 2 2 11164 1 . SER 3 3 11164 1 . GLY 4 4 11164 1 . SER 5 5 11164 1 . SER 6 6 11164 1 . GLY 7 7 11164 1 . PHE 8 8 11164 1 . VAL 9 9 11164 1 . LYS 10 10 11164 1 . THR 11 11 11164 1 . VAL 12 12 11164 1 . GLU 13 13 11164 1 . ASP 14 14 11164 1 . LYS 15 15 11164 1 . TYR 16 16 11164 1 . LYS 17 17 11164 1 . CYS 18 18 11164 1 . GLU 19 19 11164 1 . LYS 20 20 11164 1 . CYS 21 21 11164 1 . HIS 22 22 11164 1 . LEU 23 23 11164 1 . VAL 24 24 11164 1 . LEU 25 25 11164 1 . CYS 26 26 11164 1 . SER 27 27 11164 1 . PRO 28 28 11164 1 . LYS 29 29 11164 1 . GLN 30 30 11164 1 . THR 31 31 11164 1 . GLU 32 32 11164 1 . CYS 33 33 11164 1 . GLY 34 34 11164 1 . HIS 35 35 11164 1 . ARG 36 36 11164 1 . PHE 37 37 11164 1 . CYS 38 38 11164 1 . GLU 39 39 11164 1 . SER 40 40 11164 1 . CYS 41 41 11164 1 . MET 42 42 11164 1 . ALA 43 43 11164 1 . ALA 44 44 11164 1 . LEU 45 45 11164 1 . LEU 46 46 11164 1 . SER 47 47 11164 1 . SER 48 48 11164 1 . SER 49 49 11164 1 . SER 50 50 11164 1 . PRO 51 51 11164 1 . LYS 52 52 11164 1 . CYS 53 53 11164 1 . THR 54 54 11164 1 . ALA 55 55 11164 1 . CYS 56 56 11164 1 . GLN 57 57 11164 1 . GLU 58 58 11164 1 . SER 59 59 11164 1 . ILE 60 60 11164 1 . VAL 61 61 11164 1 . LYS 62 62 11164 1 . ASP 63 63 11164 1 . LYS 64 64 11164 1 . VAL 65 65 11164 1 . PHE 66 66 11164 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11164 _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 . 11164 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 11164 _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 . . . . . . . . . . . . . . . . . . . . . 11164 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 11164 _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 . . . . . . . . . . . . . . . . P060515-13 . . . . . . 11164 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 11164 _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 11164 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11164 ZN [Zn++] SMILES CACTVS 3.341 11164 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11164 ZN [Zn+2] SMILES ACDLabs 10.04 11164 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11164 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11164 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 11164 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11164 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 . . 11164 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11164 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.10mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 50uM Zncl2+1mM {IDA;} 10% D2O, 90% H2O ; _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, residues 8-66' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.10 . . mM . . . . 11164 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11164 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11164 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11164 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11164 1 6 ZnCl2 'natural abundance' . . . . . salt 50 . . uM . . . . 11164 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11164 1 8 H2O . . . . . . solvent 90 . . % . . . . 11164 1 9 D2O . . . . . . solvent 10 . . % . . . . 11164 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 11164 _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 11164 1 pH 7.0 0.05 pH 11164 1 pressure 1 0.001 atm 11164 1 temperature 296 0.1 K 11164 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11164 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11164 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11164 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11164 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11164 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11164 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11164 _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.' . . 11164 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11164 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11164 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11164 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11164 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11164 _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.' . . 11164 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11164 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 11164 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11164 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11164 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 11164 _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 . . . . . . . . . . . . . . . . 11164 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11164 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 11164 _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 . . . . . . . . . 11164 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11164 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11164 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 11164 _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 11164 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11164 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11164 1 2 $NMRPipe . . 11164 1 3 $NMRView . . 11164 1 4 $Kujira . . 11164 1 5 $CYANA . . 11164 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 6 6 SER HA H 1 4.452 0.030 . 1 . . . . 6 SER HA . 11164 1 2 . 1 1 6 6 SER HB2 H 1 3.861 0.030 . 1 . . . . 6 SER HB2 . 11164 1 3 . 1 1 6 6 SER HB3 H 1 3.861 0.030 . 1 . . . . 6 SER HB3 . 11164 1 4 . 1 1 6 6 SER C C 13 174.916 0.300 . 1 . . . . 6 SER C . 11164 1 5 . 1 1 6 6 SER CA C 13 58.759 0.300 . 1 . . . . 6 SER CA . 11164 1 6 . 1 1 6 6 SER CB C 13 63.633 0.300 . 1 . . . . 6 SER CB . 11164 1 7 . 1 1 7 7 GLY H H 1 8.337 0.030 . 1 . . . . 7 GLY H . 11164 1 8 . 1 1 7 7 GLY HA2 H 1 3.895 0.030 . 2 . . . . 7 GLY HA2 . 11164 1 9 . 1 1 7 7 GLY HA3 H 1 3.885 0.030 . 2 . . . . 7 GLY HA3 . 11164 1 10 . 1 1 7 7 GLY C C 13 173.656 0.300 . 1 . . . . 7 GLY C . 11164 1 11 . 1 1 7 7 GLY CA C 13 45.210 0.300 . 1 . . . . 7 GLY CA . 11164 1 12 . 1 1 7 7 GLY N N 15 110.455 0.300 . 1 . . . . 7 GLY N . 11164 1 13 . 1 1 8 8 PHE H H 1 8.060 0.030 . 1 . . . . 8 PHE H . 11164 1 14 . 1 1 8 8 PHE HA H 1 4.623 0.030 . 1 . . . . 8 PHE HA . 11164 1 15 . 1 1 8 8 PHE HB2 H 1 3.025 0.030 . 2 . . . . 8 PHE HB2 . 11164 1 16 . 1 1 8 8 PHE HB3 H 1 3.081 0.030 . 2 . . . . 8 PHE HB3 . 11164 1 17 . 1 1 8 8 PHE HD1 H 1 7.222 0.030 . 1 . . . . 8 PHE HD1 . 11164 1 18 . 1 1 8 8 PHE HD2 H 1 7.222 0.030 . 1 . . . . 8 PHE HD2 . 11164 1 19 . 1 1 8 8 PHE HE1 H 1 7.258 0.030 . 1 . . . . 8 PHE HE1 . 11164 1 20 . 1 1 8 8 PHE HE2 H 1 7.258 0.030 . 1 . . . . 8 PHE HE2 . 11164 1 21 . 1 1 8 8 PHE HZ H 1 7.232 0.030 . 1 . . . . 8 PHE HZ . 11164 1 22 . 1 1 8 8 PHE C C 13 175.510 0.300 . 1 . . . . 8 PHE C . 11164 1 23 . 1 1 8 8 PHE CA C 13 57.766 0.300 . 1 . . . . 8 PHE CA . 11164 1 24 . 1 1 8 8 PHE CB C 13 39.650 0.300 . 1 . . . . 8 PHE CB . 11164 1 25 . 1 1 8 8 PHE CD1 C 13 131.723 0.300 . 1 . . . . 8 PHE CD1 . 11164 1 26 . 1 1 8 8 PHE CD2 C 13 131.723 0.300 . 1 . . . . 8 PHE CD2 . 11164 1 27 . 1 1 8 8 PHE CE1 C 13 130.903 0.300 . 1 . . . . 8 PHE CE1 . 11164 1 28 . 1 1 8 8 PHE CE2 C 13 130.903 0.300 . 1 . . . . 8 PHE CE2 . 11164 1 29 . 1 1 8 8 PHE CZ C 13 129.388 0.300 . 1 . . . . 8 PHE CZ . 11164 1 30 . 1 1 8 8 PHE N N 15 120.258 0.300 . 1 . . . . 8 PHE N . 11164 1 31 . 1 1 9 9 VAL H H 1 8.031 0.030 . 1 . . . . 9 VAL H . 11164 1 32 . 1 1 9 9 VAL HA H 1 4.030 0.030 . 1 . . . . 9 VAL HA . 11164 1 33 . 1 1 9 9 VAL HB H 1 1.943 0.030 . 1 . . . . 9 VAL HB . 11164 1 34 . 1 1 9 9 VAL HG11 H 1 0.862 0.030 . 1 . . . . 9 VAL HG1 . 11164 1 35 . 1 1 9 9 VAL HG12 H 1 0.862 0.030 . 1 . . . . 9 VAL HG1 . 11164 1 36 . 1 1 9 9 VAL HG13 H 1 0.862 0.030 . 1 . . . . 9 VAL HG1 . 11164 1 37 . 1 1 9 9 VAL HG21 H 1 0.891 0.030 . 1 . . . . 9 VAL HG2 . 11164 1 38 . 1 1 9 9 VAL HG22 H 1 0.891 0.030 . 1 . . . . 9 VAL HG2 . 11164 1 39 . 1 1 9 9 VAL HG23 H 1 0.891 0.030 . 1 . . . . 9 VAL HG2 . 11164 1 40 . 1 1 9 9 VAL C C 13 175.387 0.300 . 1 . . . . 9 VAL C . 11164 1 41 . 1 1 9 9 VAL CA C 13 62.030 0.300 . 1 . . . . 9 VAL CA . 11164 1 42 . 1 1 9 9 VAL CB C 13 32.976 0.300 . 1 . . . . 9 VAL CB . 11164 1 43 . 1 1 9 9 VAL CG1 C 13 21.045 0.300 . 2 . . . . 9 VAL CG1 . 11164 1 44 . 1 1 9 9 VAL CG2 C 13 20.770 0.300 . 2 . . . . 9 VAL CG2 . 11164 1 45 . 1 1 9 9 VAL N N 15 123.468 0.300 . 1 . . . . 9 VAL N . 11164 1 46 . 1 1 10 10 LYS H H 1 8.369 0.030 . 1 . . . . 10 LYS H . 11164 1 47 . 1 1 10 10 LYS HA H 1 4.327 0.030 . 1 . . . . 10 LYS HA . 11164 1 48 . 1 1 10 10 LYS HB2 H 1 1.740 0.030 . 2 . . . . 10 LYS HB2 . 11164 1 49 . 1 1 10 10 LYS HB3 H 1 1.816 0.030 . 2 . . . . 10 LYS HB3 . 11164 1 50 . 1 1 10 10 LYS HD2 H 1 1.702 0.030 . 1 . . . . 10 LYS HD2 . 11164 1 51 . 1 1 10 10 LYS HD3 H 1 1.702 0.030 . 1 . . . . 10 LYS HD3 . 11164 1 52 . 1 1 10 10 LYS HE2 H 1 2.995 0.030 . 1 . . . . 10 LYS HE2 . 11164 1 53 . 1 1 10 10 LYS HE3 H 1 2.995 0.030 . 1 . . . . 10 LYS HE3 . 11164 1 54 . 1 1 10 10 LYS HG2 H 1 1.448 0.030 . 2 . . . . 10 LYS HG2 . 11164 1 55 . 1 1 10 10 LYS HG3 H 1 1.395 0.030 . 2 . . . . 10 LYS HG3 . 11164 1 56 . 1 1 10 10 LYS C C 13 176.518 0.300 . 1 . . . . 10 LYS C . 11164 1 57 . 1 1 10 10 LYS CA C 13 56.286 0.300 . 1 . . . . 10 LYS CA . 11164 1 58 . 1 1 10 10 LYS CB C 13 33.190 0.300 . 1 . . . . 10 LYS CB . 11164 1 59 . 1 1 10 10 LYS CD C 13 29.363 0.300 . 1 . . . . 10 LYS CD . 11164 1 60 . 1 1 10 10 LYS CE C 13 42.133 0.300 . 1 . . . . 10 LYS CE . 11164 1 61 . 1 1 10 10 LYS CG C 13 24.840 0.300 . 1 . . . . 10 LYS CG . 11164 1 62 . 1 1 10 10 LYS N N 15 126.177 0.300 . 1 . . . . 10 LYS N . 11164 1 63 . 1 1 11 11 THR H H 1 8.295 0.030 . 1 . . . . 11 THR H . 11164 1 64 . 1 1 11 11 THR HA H 1 4.344 0.030 . 1 . . . . 11 THR HA . 11164 1 65 . 1 1 11 11 THR HB H 1 4.187 0.030 . 1 . . . . 11 THR HB . 11164 1 66 . 1 1 11 11 THR HG21 H 1 1.176 0.030 . 1 . . . . 11 THR HG2 . 11164 1 67 . 1 1 11 11 THR HG22 H 1 1.176 0.030 . 1 . . . . 11 THR HG2 . 11164 1 68 . 1 1 11 11 THR HG23 H 1 1.176 0.030 . 1 . . . . 11 THR HG2 . 11164 1 69 . 1 1 11 11 THR C C 13 174.465 0.300 . 1 . . . . 11 THR C . 11164 1 70 . 1 1 11 11 THR CA C 13 61.762 0.300 . 1 . . . . 11 THR CA . 11164 1 71 . 1 1 11 11 THR CB C 13 69.978 0.300 . 1 . . . . 11 THR CB . 11164 1 72 . 1 1 11 11 THR CG2 C 13 21.780 0.300 . 1 . . . . 11 THR CG2 . 11164 1 73 . 1 1 11 11 THR N N 15 117.141 0.300 . 1 . . . . 11 THR N . 11164 1 74 . 1 1 12 12 VAL H H 1 8.221 0.030 . 1 . . . . 12 VAL H . 11164 1 75 . 1 1 12 12 VAL HA H 1 4.124 0.030 . 1 . . . . 12 VAL HA . 11164 1 76 . 1 1 12 12 VAL HB H 1 2.057 0.030 . 1 . . . . 12 VAL HB . 11164 1 77 . 1 1 12 12 VAL HG11 H 1 0.919 0.030 . 1 . . . . 12 VAL HG1 . 11164 1 78 . 1 1 12 12 VAL HG12 H 1 0.919 0.030 . 1 . . . . 12 VAL HG1 . 11164 1 79 . 1 1 12 12 VAL HG13 H 1 0.919 0.030 . 1 . . . . 12 VAL HG1 . 11164 1 80 . 1 1 12 12 VAL HG21 H 1 0.918 0.030 . 1 . . . . 12 VAL HG2 . 11164 1 81 . 1 1 12 12 VAL HG22 H 1 0.918 0.030 . 1 . . . . 12 VAL HG2 . 11164 1 82 . 1 1 12 12 VAL HG23 H 1 0.918 0.030 . 1 . . . . 12 VAL HG2 . 11164 1 83 . 1 1 12 12 VAL C C 13 175.903 0.300 . 1 . . . . 12 VAL C . 11164 1 84 . 1 1 12 12 VAL CA C 13 62.243 0.300 . 1 . . . . 12 VAL CA . 11164 1 85 . 1 1 12 12 VAL CB C 13 32.889 0.300 . 1 . . . . 12 VAL CB . 11164 1 86 . 1 1 12 12 VAL CG1 C 13 21.209 0.300 . 2 . . . . 12 VAL CG1 . 11164 1 87 . 1 1 12 12 VAL CG2 C 13 21.208 0.300 . 2 . . . . 12 VAL CG2 . 11164 1 88 . 1 1 12 12 VAL N N 15 122.431 0.300 . 1 . . . . 12 VAL N . 11164 1 89 . 1 1 13 13 GLU H H 1 8.466 0.030 . 1 . . . . 13 GLU H . 11164 1 90 . 1 1 13 13 GLU HA H 1 4.267 0.030 . 1 . . . . 13 GLU HA . 11164 1 91 . 1 1 13 13 GLU HB2 H 1 2.017 0.030 . 2 . . . . 13 GLU HB2 . 11164 1 92 . 1 1 13 13 GLU HB3 H 1 1.871 0.030 . 2 . . . . 13 GLU HB3 . 11164 1 93 . 1 1 13 13 GLU HG2 H 1 2.227 0.030 . 1 . . . . 13 GLU HG2 . 11164 1 94 . 1 1 13 13 GLU HG3 H 1 2.227 0.030 . 1 . . . . 13 GLU HG3 . 11164 1 95 . 1 1 13 13 GLU C C 13 175.936 0.300 . 1 . . . . 13 GLU C . 11164 1 96 . 1 1 13 13 GLU CA C 13 56.407 0.300 . 1 . . . . 13 GLU CA . 11164 1 97 . 1 1 13 13 GLU CB C 13 30.510 0.300 . 1 . . . . 13 GLU CB . 11164 1 98 . 1 1 13 13 GLU CG C 13 36.370 0.300 . 1 . . . . 13 GLU CG . 11164 1 99 . 1 1 13 13 GLU N N 15 124.654 0.300 . 1 . . . . 13 GLU N . 11164 1 100 . 1 1 14 14 ASP H H 1 8.293 0.030 . 1 . . . . 14 ASP H . 11164 1 101 . 1 1 14 14 ASP HA H 1 4.474 0.030 . 1 . . . . 14 ASP HA . 11164 1 102 . 1 1 14 14 ASP HB2 H 1 2.524 0.030 . 1 . . . . 14 ASP HB2 . 11164 1 103 . 1 1 14 14 ASP HB3 H 1 2.524 0.030 . 1 . . . . 14 ASP HB3 . 11164 1 104 . 1 1 14 14 ASP C C 13 175.403 0.300 . 1 . . . . 14 ASP C . 11164 1 105 . 1 1 14 14 ASP CA C 13 54.416 0.300 . 1 . . . . 14 ASP CA . 11164 1 106 . 1 1 14 14 ASP CB C 13 41.097 0.300 . 1 . . . . 14 ASP CB . 11164 1 107 . 1 1 14 14 ASP N N 15 122.071 0.300 . 1 . . . . 14 ASP N . 11164 1 108 . 1 1 15 15 LYS H H 1 7.849 0.030 . 1 . . . . 15 LYS H . 11164 1 109 . 1 1 15 15 LYS HA H 1 4.322 0.030 . 1 . . . . 15 LYS HA . 11164 1 110 . 1 1 15 15 LYS HB2 H 1 1.554 0.030 . 2 . . . . 15 LYS HB2 . 11164 1 111 . 1 1 15 15 LYS HB3 H 1 1.505 0.030 . 2 . . . . 15 LYS HB3 . 11164 1 112 . 1 1 15 15 LYS HD2 H 1 1.554 0.030 . 1 . . . . 15 LYS HD2 . 11164 1 113 . 1 1 15 15 LYS HD3 H 1 1.554 0.030 . 1 . . . . 15 LYS HD3 . 11164 1 114 . 1 1 15 15 LYS HE2 H 1 2.850 0.030 . 2 . . . . 15 LYS HE2 . 11164 1 115 . 1 1 15 15 LYS HE3 H 1 2.907 0.030 . 2 . . . . 15 LYS HE3 . 11164 1 116 . 1 1 15 15 LYS HG2 H 1 1.198 0.030 . 2 . . . . 15 LYS HG2 . 11164 1 117 . 1 1 15 15 LYS HG3 H 1 1.263 0.030 . 2 . . . . 15 LYS HG3 . 11164 1 118 . 1 1 15 15 LYS C C 13 175.691 0.300 . 1 . . . . 15 LYS C . 11164 1 119 . 1 1 15 15 LYS CA C 13 55.614 0.300 . 1 . . . . 15 LYS CA . 11164 1 120 . 1 1 15 15 LYS CB C 13 34.009 0.300 . 1 . . . . 15 LYS CB . 11164 1 121 . 1 1 15 15 LYS CD C 13 29.071 0.300 . 1 . . . . 15 LYS CD . 11164 1 122 . 1 1 15 15 LYS CE C 13 41.929 0.300 . 1 . . . . 15 LYS CE . 11164 1 123 . 1 1 15 15 LYS CG C 13 24.797 0.300 . 1 . . . . 15 LYS CG . 11164 1 124 . 1 1 15 15 LYS N N 15 119.787 0.300 . 1 . . . . 15 LYS N . 11164 1 125 . 1 1 16 16 TYR H H 1 8.472 0.030 . 1 . . . . 16 TYR H . 11164 1 126 . 1 1 16 16 TYR HA H 1 4.657 0.030 . 1 . . . . 16 TYR HA . 11164 1 127 . 1 1 16 16 TYR HB2 H 1 2.599 0.030 . 2 . . . . 16 TYR HB2 . 11164 1 128 . 1 1 16 16 TYR HB3 H 1 3.030 0.030 . 2 . . . . 16 TYR HB3 . 11164 1 129 . 1 1 16 16 TYR HD1 H 1 7.046 0.030 . 1 . . . . 16 TYR HD1 . 11164 1 130 . 1 1 16 16 TYR HD2 H 1 7.046 0.030 . 1 . . . . 16 TYR HD2 . 11164 1 131 . 1 1 16 16 TYR HE1 H 1 6.745 0.030 . 1 . . . . 16 TYR HE1 . 11164 1 132 . 1 1 16 16 TYR HE2 H 1 6.745 0.030 . 1 . . . . 16 TYR HE2 . 11164 1 133 . 1 1 16 16 TYR C C 13 174.395 0.300 . 1 . . . . 16 TYR C . 11164 1 134 . 1 1 16 16 TYR CA C 13 56.875 0.300 . 1 . . . . 16 TYR CA . 11164 1 135 . 1 1 16 16 TYR CB C 13 40.949 0.300 . 1 . . . . 16 TYR CB . 11164 1 136 . 1 1 16 16 TYR CD1 C 13 133.065 0.300 . 1 . . . . 16 TYR CD1 . 11164 1 137 . 1 1 16 16 TYR CD2 C 13 133.065 0.300 . 1 . . . . 16 TYR CD2 . 11164 1 138 . 1 1 16 16 TYR CE1 C 13 118.128 0.300 . 1 . . . . 16 TYR CE1 . 11164 1 139 . 1 1 16 16 TYR CE2 C 13 118.128 0.300 . 1 . . . . 16 TYR CE2 . 11164 1 140 . 1 1 16 16 TYR N N 15 120.060 0.300 . 1 . . . . 16 TYR N . 11164 1 141 . 1 1 17 17 LYS H H 1 8.232 0.030 . 1 . . . . 17 LYS H . 11164 1 142 . 1 1 17 17 LYS HA H 1 4.822 0.030 . 1 . . . . 17 LYS HA . 11164 1 143 . 1 1 17 17 LYS HB2 H 1 1.493 0.030 . 2 . . . . 17 LYS HB2 . 11164 1 144 . 1 1 17 17 LYS HB3 H 1 1.450 0.030 . 2 . . . . 17 LYS HB3 . 11164 1 145 . 1 1 17 17 LYS HD2 H 1 1.525 0.030 . 2 . . . . 17 LYS HD2 . 11164 1 146 . 1 1 17 17 LYS HD3 H 1 1.578 0.030 . 2 . . . . 17 LYS HD3 . 11164 1 147 . 1 1 17 17 LYS HE2 H 1 2.850 0.030 . 1 . . . . 17 LYS HE2 . 11164 1 148 . 1 1 17 17 LYS HE3 H 1 2.850 0.030 . 1 . . . . 17 LYS HE3 . 11164 1 149 . 1 1 17 17 LYS HG2 H 1 1.217 0.030 . 2 . . . . 17 LYS HG2 . 11164 1 150 . 1 1 17 17 LYS HG3 H 1 1.134 0.030 . 2 . . . . 17 LYS HG3 . 11164 1 151 . 1 1 17 17 LYS C C 13 175.436 0.300 . 1 . . . . 17 LYS C . 11164 1 152 . 1 1 17 17 LYS CA C 13 54.740 0.300 . 1 . . . . 17 LYS CA . 11164 1 153 . 1 1 17 17 LYS CB C 13 35.048 0.300 . 1 . . . . 17 LYS CB . 11164 1 154 . 1 1 17 17 LYS CD C 13 29.410 0.300 . 1 . . . . 17 LYS CD . 11164 1 155 . 1 1 17 17 LYS CE C 13 41.886 0.300 . 1 . . . . 17 LYS CE . 11164 1 156 . 1 1 17 17 LYS CG C 13 24.888 0.300 . 1 . . . . 17 LYS CG . 11164 1 157 . 1 1 17 17 LYS N N 15 120.264 0.300 . 1 . . . . 17 LYS N . 11164 1 158 . 1 1 18 18 CYS H H 1 8.691 0.030 . 1 . . . . 18 CYS H . 11164 1 159 . 1 1 18 18 CYS HA H 1 4.084 0.030 . 1 . . . . 18 CYS HA . 11164 1 160 . 1 1 18 18 CYS HB2 H 1 2.867 0.030 . 2 . . . . 18 CYS HB2 . 11164 1 161 . 1 1 18 18 CYS HB3 H 1 3.388 0.030 . 2 . . . . 18 CYS HB3 . 11164 1 162 . 1 1 18 18 CYS C C 13 177.894 0.300 . 1 . . . . 18 CYS C . 11164 1 163 . 1 1 18 18 CYS CA C 13 59.262 0.300 . 1 . . . . 18 CYS CA . 11164 1 164 . 1 1 18 18 CYS CB C 13 31.230 0.300 . 1 . . . . 18 CYS CB . 11164 1 165 . 1 1 18 18 CYS N N 15 125.553 0.300 . 1 . . . . 18 CYS N . 11164 1 166 . 1 1 19 19 GLU H H 1 8.673 0.030 . 1 . . . . 19 GLU H . 11164 1 167 . 1 1 19 19 GLU HA H 1 3.950 0.030 . 1 . . . . 19 GLU HA . 11164 1 168 . 1 1 19 19 GLU HB2 H 1 1.294 0.030 . 2 . . . . 19 GLU HB2 . 11164 1 169 . 1 1 19 19 GLU HB3 H 1 1.755 0.030 . 2 . . . . 19 GLU HB3 . 11164 1 170 . 1 1 19 19 GLU HG2 H 1 1.965 0.030 . 2 . . . . 19 GLU HG2 . 11164 1 171 . 1 1 19 19 GLU HG3 H 1 2.366 0.030 . 2 . . . . 19 GLU HG3 . 11164 1 172 . 1 1 19 19 GLU C C 13 175.995 0.300 . 1 . . . . 19 GLU C . 11164 1 173 . 1 1 19 19 GLU CA C 13 58.177 0.300 . 1 . . . . 19 GLU CA . 11164 1 174 . 1 1 19 19 GLU CB C 13 28.995 0.300 . 1 . . . . 19 GLU CB . 11164 1 175 . 1 1 19 19 GLU CG C 13 35.625 0.300 . 1 . . . . 19 GLU CG . 11164 1 176 . 1 1 19 19 GLU N N 15 128.965 0.300 . 1 . . . . 19 GLU N . 11164 1 177 . 1 1 20 20 LYS H H 1 8.949 0.030 . 1 . . . . 20 LYS H . 11164 1 178 . 1 1 20 20 LYS HA H 1 4.586 0.030 . 1 . . . . 20 LYS HA . 11164 1 179 . 1 1 20 20 LYS HB2 H 1 1.955 0.030 . 2 . . . . 20 LYS HB2 . 11164 1 180 . 1 1 20 20 LYS HB3 H 1 2.893 0.030 . 2 . . . . 20 LYS HB3 . 11164 1 181 . 1 1 20 20 LYS HD2 H 1 1.725 0.030 . 2 . . . . 20 LYS HD2 . 11164 1 182 . 1 1 20 20 LYS HD3 H 1 1.852 0.030 . 2 . . . . 20 LYS HD3 . 11164 1 183 . 1 1 20 20 LYS HE2 H 1 3.018 0.030 . 1 . . . . 20 LYS HE2 . 11164 1 184 . 1 1 20 20 LYS HE3 H 1 3.018 0.030 . 1 . . . . 20 LYS HE3 . 11164 1 185 . 1 1 20 20 LYS HG2 H 1 1.559 0.030 . 2 . . . . 20 LYS HG2 . 11164 1 186 . 1 1 20 20 LYS HG3 H 1 1.428 0.030 . 2 . . . . 20 LYS HG3 . 11164 1 187 . 1 1 20 20 LYS C C 13 176.349 0.300 . 1 . . . . 20 LYS C . 11164 1 188 . 1 1 20 20 LYS CA C 13 58.448 0.300 . 1 . . . . 20 LYS CA . 11164 1 189 . 1 1 20 20 LYS CB C 13 33.228 0.300 . 1 . . . . 20 LYS CB . 11164 1 190 . 1 1 20 20 LYS CD C 13 29.036 0.300 . 1 . . . . 20 LYS CD . 11164 1 191 . 1 1 20 20 LYS CE C 13 42.626 0.300 . 1 . . . . 20 LYS CE . 11164 1 192 . 1 1 20 20 LYS CG C 13 25.744 0.300 . 1 . . . . 20 LYS CG . 11164 1 193 . 1 1 20 20 LYS N N 15 120.726 0.300 . 1 . . . . 20 LYS N . 11164 1 194 . 1 1 21 21 CYS H H 1 8.502 0.030 . 1 . . . . 21 CYS H . 11164 1 195 . 1 1 21 21 CYS HA H 1 4.702 0.030 . 1 . . . . 21 CYS HA . 11164 1 196 . 1 1 21 21 CYS HB2 H 1 2.611 0.030 . 2 . . . . 21 CYS HB2 . 11164 1 197 . 1 1 21 21 CYS HB3 H 1 3.218 0.030 . 2 . . . . 21 CYS HB3 . 11164 1 198 . 1 1 21 21 CYS C C 13 176.355 0.300 . 1 . . . . 21 CYS C . 11164 1 199 . 1 1 21 21 CYS CA C 13 59.379 0.300 . 1 . . . . 21 CYS CA . 11164 1 200 . 1 1 21 21 CYS CB C 13 32.178 0.300 . 1 . . . . 21 CYS CB . 11164 1 201 . 1 1 21 21 CYS N N 15 118.544 0.300 . 1 . . . . 21 CYS N . 11164 1 202 . 1 1 22 22 HIS H H 1 7.590 0.030 . 1 . . . . 22 HIS H . 11164 1 203 . 1 1 22 22 HIS HA H 1 4.544 0.030 . 1 . . . . 22 HIS HA . 11164 1 204 . 1 1 22 22 HIS HB2 H 1 3.345 0.030 . 2 . . . . 22 HIS HB2 . 11164 1 205 . 1 1 22 22 HIS HB3 H 1 3.590 0.030 . 2 . . . . 22 HIS HB3 . 11164 1 206 . 1 1 22 22 HIS HD2 H 1 7.049 0.030 . 1 . . . . 22 HIS HD2 . 11164 1 207 . 1 1 22 22 HIS HE1 H 1 8.192 0.030 . 1 . . . . 22 HIS HE1 . 11164 1 208 . 1 1 22 22 HIS C C 13 173.397 0.300 . 1 . . . . 22 HIS C . 11164 1 209 . 1 1 22 22 HIS CA C 13 57.207 0.300 . 1 . . . . 22 HIS CA . 11164 1 210 . 1 1 22 22 HIS CB C 13 26.974 0.300 . 1 . . . . 22 HIS CB . 11164 1 211 . 1 1 22 22 HIS CD2 C 13 119.192 0.300 . 1 . . . . 22 HIS CD2 . 11164 1 212 . 1 1 22 22 HIS CE1 C 13 137.128 0.300 . 1 . . . . 22 HIS CE1 . 11164 1 213 . 1 1 22 22 HIS N N 15 115.118 0.300 . 1 . . . . 22 HIS N . 11164 1 214 . 1 1 23 23 LEU H H 1 8.222 0.030 . 1 . . . . 23 LEU H . 11164 1 215 . 1 1 23 23 LEU HA H 1 4.454 0.030 . 1 . . . . 23 LEU HA . 11164 1 216 . 1 1 23 23 LEU HB2 H 1 1.466 0.030 . 2 . . . . 23 LEU HB2 . 11164 1 217 . 1 1 23 23 LEU HB3 H 1 1.970 0.030 . 2 . . . . 23 LEU HB3 . 11164 1 218 . 1 1 23 23 LEU HD11 H 1 1.024 0.030 . 1 . . . . 23 LEU HD1 . 11164 1 219 . 1 1 23 23 LEU HD12 H 1 1.024 0.030 . 1 . . . . 23 LEU HD1 . 11164 1 220 . 1 1 23 23 LEU HD13 H 1 1.024 0.030 . 1 . . . . 23 LEU HD1 . 11164 1 221 . 1 1 23 23 LEU HD21 H 1 0.960 0.030 . 1 . . . . 23 LEU HD2 . 11164 1 222 . 1 1 23 23 LEU HD22 H 1 0.960 0.030 . 1 . . . . 23 LEU HD2 . 11164 1 223 . 1 1 23 23 LEU HD23 H 1 0.960 0.030 . 1 . . . . 23 LEU HD2 . 11164 1 224 . 1 1 23 23 LEU HG H 1 1.867 0.030 . 1 . . . . 23 LEU HG . 11164 1 225 . 1 1 23 23 LEU C C 13 176.747 0.300 . 1 . . . . 23 LEU C . 11164 1 226 . 1 1 23 23 LEU CA C 13 55.480 0.300 . 1 . . . . 23 LEU CA . 11164 1 227 . 1 1 23 23 LEU CB C 13 43.287 0.300 . 1 . . . . 23 LEU CB . 11164 1 228 . 1 1 23 23 LEU CD1 C 13 24.825 0.300 . 2 . . . . 23 LEU CD1 . 11164 1 229 . 1 1 23 23 LEU CD2 C 13 23.843 0.300 . 2 . . . . 23 LEU CD2 . 11164 1 230 . 1 1 23 23 LEU CG C 13 26.795 0.300 . 1 . . . . 23 LEU CG . 11164 1 231 . 1 1 23 23 LEU N N 15 122.402 0.300 . 1 . . . . 23 LEU N . 11164 1 232 . 1 1 24 24 VAL H H 1 8.211 0.030 . 1 . . . . 24 VAL H . 11164 1 233 . 1 1 24 24 VAL HA H 1 4.186 0.030 . 1 . . . . 24 VAL HA . 11164 1 234 . 1 1 24 24 VAL HB H 1 1.957 0.030 . 1 . . . . 24 VAL HB . 11164 1 235 . 1 1 24 24 VAL HG11 H 1 0.983 0.030 . 1 . . . . 24 VAL HG1 . 11164 1 236 . 1 1 24 24 VAL HG12 H 1 0.983 0.030 . 1 . . . . 24 VAL HG1 . 11164 1 237 . 1 1 24 24 VAL HG13 H 1 0.983 0.030 . 1 . . . . 24 VAL HG1 . 11164 1 238 . 1 1 24 24 VAL HG21 H 1 0.860 0.030 . 1 . . . . 24 VAL HG2 . 11164 1 239 . 1 1 24 24 VAL HG22 H 1 0.860 0.030 . 1 . . . . 24 VAL HG2 . 11164 1 240 . 1 1 24 24 VAL HG23 H 1 0.860 0.030 . 1 . . . . 24 VAL HG2 . 11164 1 241 . 1 1 24 24 VAL C C 13 175.985 0.300 . 1 . . . . 24 VAL C . 11164 1 242 . 1 1 24 24 VAL CA C 13 63.332 0.300 . 1 . . . . 24 VAL CA . 11164 1 243 . 1 1 24 24 VAL CB C 13 31.538 0.300 . 1 . . . . 24 VAL CB . 11164 1 244 . 1 1 24 24 VAL CG1 C 13 22.019 0.300 . 2 . . . . 24 VAL CG1 . 11164 1 245 . 1 1 24 24 VAL CG2 C 13 21.586 0.300 . 2 . . . . 24 VAL CG2 . 11164 1 246 . 1 1 24 24 VAL N N 15 122.135 0.300 . 1 . . . . 24 VAL N . 11164 1 247 . 1 1 25 25 LEU H H 1 8.459 0.030 . 1 . . . . 25 LEU H . 11164 1 248 . 1 1 25 25 LEU HA H 1 4.603 0.030 . 1 . . . . 25 LEU HA . 11164 1 249 . 1 1 25 25 LEU HB2 H 1 1.351 0.030 . 2 . . . . 25 LEU HB2 . 11164 1 250 . 1 1 25 25 LEU HB3 H 1 1.675 0.030 . 2 . . . . 25 LEU HB3 . 11164 1 251 . 1 1 25 25 LEU HD11 H 1 0.722 0.030 . 1 . . . . 25 LEU HD1 . 11164 1 252 . 1 1 25 25 LEU HD12 H 1 0.722 0.030 . 1 . . . . 25 LEU HD1 . 11164 1 253 . 1 1 25 25 LEU HD13 H 1 0.722 0.030 . 1 . . . . 25 LEU HD1 . 11164 1 254 . 1 1 25 25 LEU HD21 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 11164 1 255 . 1 1 25 25 LEU HD22 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 11164 1 256 . 1 1 25 25 LEU HD23 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 11164 1 257 . 1 1 25 25 LEU HG H 1 1.544 0.030 . 1 . . . . 25 LEU HG . 11164 1 258 . 1 1 25 25 LEU C C 13 176.310 0.300 . 1 . . . . 25 LEU C . 11164 1 259 . 1 1 25 25 LEU CA C 13 54.282 0.300 . 1 . . . . 25 LEU CA . 11164 1 260 . 1 1 25 25 LEU CB C 13 44.532 0.300 . 1 . . . . 25 LEU CB . 11164 1 261 . 1 1 25 25 LEU CD1 C 13 26.742 0.300 . 2 . . . . 25 LEU CD1 . 11164 1 262 . 1 1 25 25 LEU CD2 C 13 24.023 0.300 . 2 . . . . 25 LEU CD2 . 11164 1 263 . 1 1 25 25 LEU CG C 13 26.721 0.300 . 1 . . . . 25 LEU CG . 11164 1 264 . 1 1 25 25 LEU N N 15 126.939 0.300 . 1 . . . . 25 LEU N . 11164 1 265 . 1 1 26 26 CYS H H 1 8.503 0.030 . 1 . . . . 26 CYS H . 11164 1 266 . 1 1 26 26 CYS HA H 1 4.697 0.030 . 1 . . . . 26 CYS HA . 11164 1 267 . 1 1 26 26 CYS HB2 H 1 3.013 0.030 . 2 . . . . 26 CYS HB2 . 11164 1 268 . 1 1 26 26 CYS HB3 H 1 2.938 0.030 . 2 . . . . 26 CYS HB3 . 11164 1 269 . 1 1 26 26 CYS C C 13 174.829 0.300 . 1 . . . . 26 CYS C . 11164 1 270 . 1 1 26 26 CYS CA C 13 59.428 0.300 . 1 . . . . 26 CYS CA . 11164 1 271 . 1 1 26 26 CYS CB C 13 28.401 0.300 . 1 . . . . 26 CYS CB . 11164 1 272 . 1 1 26 26 CYS N N 15 119.343 0.300 . 1 . . . . 26 CYS N . 11164 1 273 . 1 1 27 27 SER HA H 1 4.693 0.030 . 1 . . . . 27 SER HA . 11164 1 274 . 1 1 27 27 SER HB2 H 1 3.938 0.030 . 2 . . . . 27 SER HB2 . 11164 1 275 . 1 1 27 27 SER HB3 H 1 3.853 0.030 . 2 . . . . 27 SER HB3 . 11164 1 276 . 1 1 27 27 SER CA C 13 60.357 0.300 . 1 . . . . 27 SER CA . 11164 1 277 . 1 1 27 27 SER CB C 13 63.062 0.300 . 1 . . . . 27 SER CB . 11164 1 278 . 1 1 28 28 PRO HA H 1 4.397 0.030 . 1 . . . . 28 PRO HA . 11164 1 279 . 1 1 28 28 PRO HB2 H 1 1.848 0.030 . 1 . . . . 28 PRO HB2 . 11164 1 280 . 1 1 28 28 PRO HB3 H 1 1.848 0.030 . 1 . . . . 28 PRO HB3 . 11164 1 281 . 1 1 28 28 PRO HD2 H 1 3.727 0.030 . 2 . . . . 28 PRO HD2 . 11164 1 282 . 1 1 28 28 PRO HD3 H 1 3.465 0.030 . 2 . . . . 28 PRO HD3 . 11164 1 283 . 1 1 28 28 PRO HG2 H 1 1.748 0.030 . 2 . . . . 28 PRO HG2 . 11164 1 284 . 1 1 28 28 PRO HG3 H 1 1.868 0.030 . 2 . . . . 28 PRO HG3 . 11164 1 285 . 1 1 28 28 PRO C C 13 176.771 0.300 . 1 . . . . 28 PRO C . 11164 1 286 . 1 1 28 28 PRO CA C 13 63.094 0.300 . 1 . . . . 28 PRO CA . 11164 1 287 . 1 1 28 28 PRO CB C 13 32.499 0.300 . 1 . . . . 28 PRO CB . 11164 1 288 . 1 1 28 28 PRO CD C 13 50.290 0.300 . 1 . . . . 28 PRO CD . 11164 1 289 . 1 1 28 28 PRO CG C 13 26.848 0.300 . 1 . . . . 28 PRO CG . 11164 1 290 . 1 1 29 29 LYS H H 1 8.667 0.030 . 1 . . . . 29 LYS H . 11164 1 291 . 1 1 29 29 LYS HA H 1 4.557 0.030 . 1 . . . . 29 LYS HA . 11164 1 292 . 1 1 29 29 LYS HB2 H 1 1.665 0.030 . 2 . . . . 29 LYS HB2 . 11164 1 293 . 1 1 29 29 LYS HB3 H 1 1.791 0.030 . 2 . . . . 29 LYS HB3 . 11164 1 294 . 1 1 29 29 LYS HD2 H 1 1.704 0.030 . 2 . . . . 29 LYS HD2 . 11164 1 295 . 1 1 29 29 LYS HD3 H 1 1.617 0.030 . 2 . . . . 29 LYS HD3 . 11164 1 296 . 1 1 29 29 LYS HE2 H 1 2.995 0.030 . 1 . . . . 29 LYS HE2 . 11164 1 297 . 1 1 29 29 LYS HE3 H 1 2.995 0.030 . 1 . . . . 29 LYS HE3 . 11164 1 298 . 1 1 29 29 LYS HG2 H 1 1.468 0.030 . 2 . . . . 29 LYS HG2 . 11164 1 299 . 1 1 29 29 LYS HG3 H 1 1.400 0.030 . 2 . . . . 29 LYS HG3 . 11164 1 300 . 1 1 29 29 LYS C C 13 175.386 0.300 . 1 . . . . 29 LYS C . 11164 1 301 . 1 1 29 29 LYS CA C 13 54.697 0.300 . 1 . . . . 29 LYS CA . 11164 1 302 . 1 1 29 29 LYS CB C 13 33.187 0.300 . 1 . . . . 29 LYS CB . 11164 1 303 . 1 1 29 29 LYS CD C 13 28.231 0.300 . 1 . . . . 29 LYS CD . 11164 1 304 . 1 1 29 29 LYS CE C 13 42.216 0.300 . 1 . . . . 29 LYS CE . 11164 1 305 . 1 1 29 29 LYS CG C 13 24.338 0.300 . 1 . . . . 29 LYS CG . 11164 1 306 . 1 1 29 29 LYS N N 15 120.677 0.300 . 1 . . . . 29 LYS N . 11164 1 307 . 1 1 30 30 GLN H H 1 8.866 0.030 . 1 . . . . 30 GLN H . 11164 1 308 . 1 1 30 30 GLN HA H 1 5.167 0.030 . 1 . . . . 30 GLN HA . 11164 1 309 . 1 1 30 30 GLN HB2 H 1 1.609 0.030 . 2 . . . . 30 GLN HB2 . 11164 1 310 . 1 1 30 30 GLN HB3 H 1 1.795 0.030 . 2 . . . . 30 GLN HB3 . 11164 1 311 . 1 1 30 30 GLN HE21 H 1 7.461 0.030 . 2 . . . . 30 GLN HE21 . 11164 1 312 . 1 1 30 30 GLN HE22 H 1 6.754 0.030 . 2 . . . . 30 GLN HE22 . 11164 1 313 . 1 1 30 30 GLN HG2 H 1 1.983 0.030 . 2 . . . . 30 GLN HG2 . 11164 1 314 . 1 1 30 30 GLN HG3 H 1 2.288 0.030 . 2 . . . . 30 GLN HG3 . 11164 1 315 . 1 1 30 30 GLN C C 13 175.878 0.300 . 1 . . . . 30 GLN C . 11164 1 316 . 1 1 30 30 GLN CA C 13 54.518 0.300 . 1 . . . . 30 GLN CA . 11164 1 317 . 1 1 30 30 GLN CB C 13 32.076 0.300 . 1 . . . . 30 GLN CB . 11164 1 318 . 1 1 30 30 GLN CG C 13 34.212 0.300 . 1 . . . . 30 GLN CG . 11164 1 319 . 1 1 30 30 GLN N N 15 122.403 0.300 . 1 . . . . 30 GLN N . 11164 1 320 . 1 1 30 30 GLN NE2 N 15 111.702 0.300 . 1 . . . . 30 GLN NE2 . 11164 1 321 . 1 1 31 31 THR H H 1 8.813 0.030 . 1 . . . . 31 THR H . 11164 1 322 . 1 1 31 31 THR HA H 1 4.711 0.030 . 1 . . . . 31 THR HA . 11164 1 323 . 1 1 31 31 THR HB H 1 4.810 0.030 . 1 . . . . 31 THR HB . 11164 1 324 . 1 1 31 31 THR HG21 H 1 1.362 0.030 . 1 . . . . 31 THR HG2 . 11164 1 325 . 1 1 31 31 THR HG22 H 1 1.362 0.030 . 1 . . . . 31 THR HG2 . 11164 1 326 . 1 1 31 31 THR HG23 H 1 1.362 0.030 . 1 . . . . 31 THR HG2 . 11164 1 327 . 1 1 31 31 THR C C 13 177.729 0.300 . 1 . . . . 31 THR C . 11164 1 328 . 1 1 31 31 THR CA C 13 60.528 0.300 . 1 . . . . 31 THR CA . 11164 1 329 . 1 1 31 31 THR CB C 13 70.324 0.300 . 1 . . . . 31 THR CB . 11164 1 330 . 1 1 31 31 THR CG2 C 13 23.935 0.300 . 1 . . . . 31 THR CG2 . 11164 1 331 . 1 1 31 31 THR N N 15 114.130 0.300 . 1 . . . . 31 THR N . 11164 1 332 . 1 1 32 32 GLU H H 1 9.479 0.030 . 1 . . . . 32 GLU H . 11164 1 333 . 1 1 32 32 GLU HA H 1 4.113 0.030 . 1 . . . . 32 GLU HA . 11164 1 334 . 1 1 32 32 GLU HB2 H 1 2.157 0.030 . 1 . . . . 32 GLU HB2 . 11164 1 335 . 1 1 32 32 GLU HB3 H 1 2.157 0.030 . 1 . . . . 32 GLU HB3 . 11164 1 336 . 1 1 32 32 GLU HG2 H 1 2.346 0.030 . 2 . . . . 32 GLU HG2 . 11164 1 337 . 1 1 32 32 GLU HG3 H 1 2.427 0.030 . 2 . . . . 32 GLU HG3 . 11164 1 338 . 1 1 32 32 GLU C C 13 177.241 0.300 . 1 . . . . 32 GLU C . 11164 1 339 . 1 1 32 32 GLU CA C 13 59.486 0.300 . 1 . . . . 32 GLU CA . 11164 1 340 . 1 1 32 32 GLU CB C 13 29.819 0.300 . 1 . . . . 32 GLU CB . 11164 1 341 . 1 1 32 32 GLU CG C 13 37.023 0.300 . 1 . . . . 32 GLU CG . 11164 1 342 . 1 1 32 32 GLU N N 15 123.067 0.300 . 1 . . . . 32 GLU N . 11164 1 343 . 1 1 33 33 CYS H H 1 7.587 0.030 . 1 . . . . 33 CYS H . 11164 1 344 . 1 1 33 33 CYS HA H 1 4.565 0.030 . 1 . . . . 33 CYS HA . 11164 1 345 . 1 1 33 33 CYS HB2 H 1 2.763 0.030 . 2 . . . . 33 CYS HB2 . 11164 1 346 . 1 1 33 33 CYS HB3 H 1 3.365 0.030 . 2 . . . . 33 CYS HB3 . 11164 1 347 . 1 1 33 33 CYS C C 13 174.911 0.300 . 1 . . . . 33 CYS C . 11164 1 348 . 1 1 33 33 CYS CA C 13 57.596 0.300 . 1 . . . . 33 CYS CA . 11164 1 349 . 1 1 33 33 CYS CB C 13 29.934 0.300 . 1 . . . . 33 CYS CB . 11164 1 350 . 1 1 33 33 CYS N N 15 112.802 0.300 . 1 . . . . 33 CYS N . 11164 1 351 . 1 1 34 34 GLY H H 1 7.797 0.030 . 1 . . . . 34 GLY H . 11164 1 352 . 1 1 34 34 GLY HA2 H 1 3.912 0.030 . 2 . . . . 34 GLY HA2 . 11164 1 353 . 1 1 34 34 GLY HA3 H 1 3.560 0.030 . 2 . . . . 34 GLY HA3 . 11164 1 354 . 1 1 34 34 GLY C C 13 173.905 0.300 . 1 . . . . 34 GLY C . 11164 1 355 . 1 1 34 34 GLY CA C 13 45.368 0.300 . 1 . . . . 34 GLY CA . 11164 1 356 . 1 1 34 34 GLY N N 15 109.974 0.300 . 1 . . . . 34 GLY N . 11164 1 357 . 1 1 35 35 HIS H H 1 7.798 0.030 . 1 . . . . 35 HIS H . 11164 1 358 . 1 1 35 35 HIS HA H 1 4.752 0.030 . 1 . . . . 35 HIS HA . 11164 1 359 . 1 1 35 35 HIS HB2 H 1 2.754 0.030 . 2 . . . . 35 HIS HB2 . 11164 1 360 . 1 1 35 35 HIS HB3 H 1 3.318 0.030 . 2 . . . . 35 HIS HB3 . 11164 1 361 . 1 1 35 35 HIS HD2 H 1 7.181 0.030 . 1 . . . . 35 HIS HD2 . 11164 1 362 . 1 1 35 35 HIS HE1 H 1 7.743 0.030 . 1 . . . . 35 HIS HE1 . 11164 1 363 . 1 1 35 35 HIS C C 13 173.067 0.300 . 1 . . . . 35 HIS C . 11164 1 364 . 1 1 35 35 HIS CA C 13 59.101 0.300 . 1 . . . . 35 HIS CA . 11164 1 365 . 1 1 35 35 HIS CB C 13 32.971 0.300 . 1 . . . . 35 HIS CB . 11164 1 366 . 1 1 35 35 HIS CD2 C 13 119.140 0.300 . 1 . . . . 35 HIS CD2 . 11164 1 367 . 1 1 35 35 HIS CE1 C 13 138.489 0.300 . 1 . . . . 35 HIS CE1 . 11164 1 368 . 1 1 35 35 HIS N N 15 121.453 0.300 . 1 . . . . 35 HIS N . 11164 1 369 . 1 1 36 36 ARG H H 1 8.634 0.030 . 1 . . . . 36 ARG H . 11164 1 370 . 1 1 36 36 ARG HA H 1 5.075 0.030 . 1 . . . . 36 ARG HA . 11164 1 371 . 1 1 36 36 ARG HB2 H 1 1.321 0.030 . 2 . . . . 36 ARG HB2 . 11164 1 372 . 1 1 36 36 ARG HB3 H 1 1.707 0.030 . 2 . . . . 36 ARG HB3 . 11164 1 373 . 1 1 36 36 ARG HD2 H 1 2.603 0.030 . 2 . . . . 36 ARG HD2 . 11164 1 374 . 1 1 36 36 ARG HD3 H 1 2.738 0.030 . 2 . . . . 36 ARG HD3 . 11164 1 375 . 1 1 36 36 ARG HG2 H 1 1.417 0.030 . 2 . . . . 36 ARG HG2 . 11164 1 376 . 1 1 36 36 ARG HG3 H 1 1.237 0.030 . 2 . . . . 36 ARG HG3 . 11164 1 377 . 1 1 36 36 ARG C C 13 173.680 0.300 . 1 . . . . 36 ARG C . 11164 1 378 . 1 1 36 36 ARG CA C 13 55.199 0.300 . 1 . . . . 36 ARG CA . 11164 1 379 . 1 1 36 36 ARG CB C 13 32.708 0.300 . 1 . . . . 36 ARG CB . 11164 1 380 . 1 1 36 36 ARG CD C 13 43.349 0.300 . 1 . . . . 36 ARG CD . 11164 1 381 . 1 1 36 36 ARG CG C 13 28.457 0.300 . 1 . . . . 36 ARG CG . 11164 1 382 . 1 1 36 36 ARG N N 15 120.490 0.300 . 1 . . . . 36 ARG N . 11164 1 383 . 1 1 37 37 PHE H H 1 8.536 0.030 . 1 . . . . 37 PHE H . 11164 1 384 . 1 1 37 37 PHE HA H 1 5.944 0.030 . 1 . . . . 37 PHE HA . 11164 1 385 . 1 1 37 37 PHE HB2 H 1 3.252 0.030 . 2 . . . . 37 PHE HB2 . 11164 1 386 . 1 1 37 37 PHE HB3 H 1 2.552 0.030 . 2 . . . . 37 PHE HB3 . 11164 1 387 . 1 1 37 37 PHE HD1 H 1 7.136 0.030 . 1 . . . . 37 PHE HD1 . 11164 1 388 . 1 1 37 37 PHE HD2 H 1 7.136 0.030 . 1 . . . . 37 PHE HD2 . 11164 1 389 . 1 1 37 37 PHE HE1 H 1 7.388 0.030 . 1 . . . . 37 PHE HE1 . 11164 1 390 . 1 1 37 37 PHE HE2 H 1 7.388 0.030 . 1 . . . . 37 PHE HE2 . 11164 1 391 . 1 1 37 37 PHE HZ H 1 7.843 0.030 . 1 . . . . 37 PHE HZ . 11164 1 392 . 1 1 37 37 PHE C C 13 175.599 0.300 . 1 . . . . 37 PHE C . 11164 1 393 . 1 1 37 37 PHE CA C 13 56.065 0.300 . 1 . . . . 37 PHE CA . 11164 1 394 . 1 1 37 37 PHE CB C 13 45.275 0.300 . 1 . . . . 37 PHE CB . 11164 1 395 . 1 1 37 37 PHE CD1 C 13 131.863 0.300 . 1 . . . . 37 PHE CD1 . 11164 1 396 . 1 1 37 37 PHE CD2 C 13 131.863 0.300 . 1 . . . . 37 PHE CD2 . 11164 1 397 . 1 1 37 37 PHE CE1 C 13 131.884 0.300 . 1 . . . . 37 PHE CE1 . 11164 1 398 . 1 1 37 37 PHE CE2 C 13 131.884 0.300 . 1 . . . . 37 PHE CE2 . 11164 1 399 . 1 1 37 37 PHE CZ C 13 129.824 0.300 . 1 . . . . 37 PHE CZ . 11164 1 400 . 1 1 37 37 PHE N N 15 116.539 0.300 . 1 . . . . 37 PHE N . 11164 1 401 . 1 1 38 38 CYS H H 1 9.819 0.030 . 1 . . . . 38 CYS H . 11164 1 402 . 1 1 38 38 CYS HA H 1 4.872 0.030 . 1 . . . . 38 CYS HA . 11164 1 403 . 1 1 38 38 CYS HB2 H 1 3.005 0.030 . 2 . . . . 38 CYS HB2 . 11164 1 404 . 1 1 38 38 CYS HB3 H 1 3.475 0.030 . 2 . . . . 38 CYS HB3 . 11164 1 405 . 1 1 38 38 CYS C C 13 175.387 0.300 . 1 . . . . 38 CYS C . 11164 1 406 . 1 1 38 38 CYS CA C 13 57.736 0.300 . 1 . . . . 38 CYS CA . 11164 1 407 . 1 1 38 38 CYS CB C 13 31.605 0.300 . 1 . . . . 38 CYS CB . 11164 1 408 . 1 1 38 38 CYS N N 15 122.007 0.300 . 1 . . . . 38 CYS N . 11164 1 409 . 1 1 39 39 GLU H H 1 8.847 0.030 . 1 . . . . 39 GLU H . 11164 1 410 . 1 1 39 39 GLU HA H 1 3.913 0.030 . 1 . . . . 39 GLU HA . 11164 1 411 . 1 1 39 39 GLU HB2 H 1 2.098 0.030 . 2 . . . . 39 GLU HB2 . 11164 1 412 . 1 1 39 39 GLU HB3 H 1 2.149 0.030 . 2 . . . . 39 GLU HB3 . 11164 1 413 . 1 1 39 39 GLU HG2 H 1 2.390 0.030 . 2 . . . . 39 GLU HG2 . 11164 1 414 . 1 1 39 39 GLU HG3 H 1 2.321 0.030 . 2 . . . . 39 GLU HG3 . 11164 1 415 . 1 1 39 39 GLU C C 13 179.271 0.300 . 1 . . . . 39 GLU C . 11164 1 416 . 1 1 39 39 GLU CA C 13 60.359 0.300 . 1 . . . . 39 GLU CA . 11164 1 417 . 1 1 39 39 GLU CB C 13 29.647 0.300 . 1 . . . . 39 GLU CB . 11164 1 418 . 1 1 39 39 GLU CG C 13 36.614 0.300 . 1 . . . . 39 GLU CG . 11164 1 419 . 1 1 39 39 GLU N N 15 119.198 0.300 . 1 . . . . 39 GLU N . 11164 1 420 . 1 1 40 40 SER H H 1 8.368 0.030 . 1 . . . . 40 SER H . 11164 1 421 . 1 1 40 40 SER HA H 1 4.328 0.030 . 1 . . . . 40 SER HA . 11164 1 422 . 1 1 40 40 SER HB2 H 1 4.050 0.030 . 1 . . . . 40 SER HB2 . 11164 1 423 . 1 1 40 40 SER HB3 H 1 4.050 0.030 . 1 . . . . 40 SER HB3 . 11164 1 424 . 1 1 40 40 SER C C 13 178.153 0.300 . 1 . . . . 40 SER C . 11164 1 425 . 1 1 40 40 SER CA C 13 61.762 0.300 . 1 . . . . 40 SER CA . 11164 1 426 . 1 1 40 40 SER CB C 13 62.630 0.300 . 1 . . . . 40 SER CB . 11164 1 427 . 1 1 40 40 SER N N 15 115.493 0.300 . 1 . . . . 40 SER N . 11164 1 428 . 1 1 41 41 CYS H H 1 9.286 0.030 . 1 . . . . 41 CYS H . 11164 1 429 . 1 1 41 41 CYS HA H 1 4.039 0.030 . 1 . . . . 41 CYS HA . 11164 1 430 . 1 1 41 41 CYS HB2 H 1 2.856 0.030 . 2 . . . . 41 CYS HB2 . 11164 1 431 . 1 1 41 41 CYS HB3 H 1 3.318 0.030 . 2 . . . . 41 CYS HB3 . 11164 1 432 . 1 1 41 41 CYS C C 13 178.011 0.300 . 1 . . . . 41 CYS C . 11164 1 433 . 1 1 41 41 CYS CA C 13 65.469 0.300 . 1 . . . . 41 CYS CA . 11164 1 434 . 1 1 41 41 CYS CB C 13 29.867 0.300 . 1 . . . . 41 CYS CB . 11164 1 435 . 1 1 41 41 CYS N N 15 127.424 0.300 . 1 . . . . 41 CYS N . 11164 1 436 . 1 1 42 42 MET H H 1 8.897 0.030 . 1 . . . . 42 MET H . 11164 1 437 . 1 1 42 42 MET HA H 1 4.167 0.030 . 1 . . . . 42 MET HA . 11164 1 438 . 1 1 42 42 MET HB2 H 1 1.941 0.030 . 2 . . . . 42 MET HB2 . 11164 1 439 . 1 1 42 42 MET HB3 H 1 2.177 0.030 . 2 . . . . 42 MET HB3 . 11164 1 440 . 1 1 42 42 MET HE1 H 1 1.755 0.030 . 1 . . . . 42 MET HE . 11164 1 441 . 1 1 42 42 MET HE2 H 1 1.755 0.030 . 1 . . . . 42 MET HE . 11164 1 442 . 1 1 42 42 MET HE3 H 1 1.755 0.030 . 1 . . . . 42 MET HE . 11164 1 443 . 1 1 42 42 MET HG2 H 1 2.360 0.030 . 2 . . . . 42 MET HG2 . 11164 1 444 . 1 1 42 42 MET HG3 H 1 2.530 0.030 . 2 . . . . 42 MET HG3 . 11164 1 445 . 1 1 42 42 MET C C 13 177.418 0.300 . 1 . . . . 42 MET C . 11164 1 446 . 1 1 42 42 MET CA C 13 57.145 0.300 . 1 . . . . 42 MET CA . 11164 1 447 . 1 1 42 42 MET CB C 13 30.947 0.300 . 1 . . . . 42 MET CB . 11164 1 448 . 1 1 42 42 MET CE C 13 17.220 0.300 . 1 . . . . 42 MET CE . 11164 1 449 . 1 1 42 42 MET CG C 13 31.734 0.300 . 1 . . . . 42 MET CG . 11164 1 450 . 1 1 42 42 MET N N 15 118.944 0.300 . 1 . . . . 42 MET N . 11164 1 451 . 1 1 43 43 ALA H H 1 7.966 0.030 . 1 . . . . 43 ALA H . 11164 1 452 . 1 1 43 43 ALA HA H 1 3.996 0.030 . 1 . . . . 43 ALA HA . 11164 1 453 . 1 1 43 43 ALA HB1 H 1 1.483 0.030 . 1 . . . . 43 ALA HB . 11164 1 454 . 1 1 43 43 ALA HB2 H 1 1.483 0.030 . 1 . . . . 43 ALA HB . 11164 1 455 . 1 1 43 43 ALA HB3 H 1 1.483 0.030 . 1 . . . . 43 ALA HB . 11164 1 456 . 1 1 43 43 ALA C C 13 180.756 0.300 . 1 . . . . 43 ALA C . 11164 1 457 . 1 1 43 43 ALA CA C 13 55.096 0.300 . 1 . . . . 43 ALA CA . 11164 1 458 . 1 1 43 43 ALA CB C 13 17.625 0.300 . 1 . . . . 43 ALA CB . 11164 1 459 . 1 1 43 43 ALA N N 15 120.130 0.300 . 1 . . . . 43 ALA N . 11164 1 460 . 1 1 44 44 ALA H H 1 7.589 0.030 . 1 . . . . 44 ALA H . 11164 1 461 . 1 1 44 44 ALA HA H 1 4.096 0.030 . 1 . . . . 44 ALA HA . 11164 1 462 . 1 1 44 44 ALA HB1 H 1 1.495 0.030 . 1 . . . . 44 ALA HB . 11164 1 463 . 1 1 44 44 ALA HB2 H 1 1.495 0.030 . 1 . . . . 44 ALA HB . 11164 1 464 . 1 1 44 44 ALA HB3 H 1 1.495 0.030 . 1 . . . . 44 ALA HB . 11164 1 465 . 1 1 44 44 ALA C C 13 181.445 0.300 . 1 . . . . 44 ALA C . 11164 1 466 . 1 1 44 44 ALA CA C 13 54.842 0.300 . 1 . . . . 44 ALA CA . 11164 1 467 . 1 1 44 44 ALA CB C 13 17.803 0.300 . 1 . . . . 44 ALA CB . 11164 1 468 . 1 1 44 44 ALA N N 15 120.542 0.300 . 1 . . . . 44 ALA N . 11164 1 469 . 1 1 45 45 LEU H H 1 8.324 0.030 . 1 . . . . 45 LEU H . 11164 1 470 . 1 1 45 45 LEU HA H 1 3.977 0.030 . 1 . . . . 45 LEU HA . 11164 1 471 . 1 1 45 45 LEU HB2 H 1 1.033 0.030 . 2 . . . . 45 LEU HB2 . 11164 1 472 . 1 1 45 45 LEU HB3 H 1 1.877 0.030 . 2 . . . . 45 LEU HB3 . 11164 1 473 . 1 1 45 45 LEU HD11 H 1 0.201 0.030 . 1 . . . . 45 LEU HD1 . 11164 1 474 . 1 1 45 45 LEU HD12 H 1 0.201 0.030 . 1 . . . . 45 LEU HD1 . 11164 1 475 . 1 1 45 45 LEU HD13 H 1 0.201 0.030 . 1 . . . . 45 LEU HD1 . 11164 1 476 . 1 1 45 45 LEU HD21 H 1 0.704 0.030 . 1 . . . . 45 LEU HD2 . 11164 1 477 . 1 1 45 45 LEU HD22 H 1 0.704 0.030 . 1 . . . . 45 LEU HD2 . 11164 1 478 . 1 1 45 45 LEU HD23 H 1 0.704 0.030 . 1 . . . . 45 LEU HD2 . 11164 1 479 . 1 1 45 45 LEU HG H 1 1.639 0.030 . 1 . . . . 45 LEU HG . 11164 1 480 . 1 1 45 45 LEU C C 13 180.469 0.300 . 1 . . . . 45 LEU C . 11164 1 481 . 1 1 45 45 LEU CA C 13 58.257 0.300 . 1 . . . . 45 LEU CA . 11164 1 482 . 1 1 45 45 LEU CB C 13 41.796 0.300 . 1 . . . . 45 LEU CB . 11164 1 483 . 1 1 45 45 LEU CD1 C 13 24.503 0.300 . 2 . . . . 45 LEU CD1 . 11164 1 484 . 1 1 45 45 LEU CD2 C 13 22.909 0.300 . 2 . . . . 45 LEU CD2 . 11164 1 485 . 1 1 45 45 LEU CG C 13 26.652 0.300 . 1 . . . . 45 LEU CG . 11164 1 486 . 1 1 45 45 LEU N N 15 121.043 0.300 . 1 . . . . 45 LEU N . 11164 1 487 . 1 1 46 46 LEU H H 1 8.295 0.030 . 1 . . . . 46 LEU H . 11164 1 488 . 1 1 46 46 LEU HA H 1 3.963 0.030 . 1 . . . . 46 LEU HA . 11164 1 489 . 1 1 46 46 LEU HB2 H 1 1.492 0.030 . 2 . . . . 46 LEU HB2 . 11164 1 490 . 1 1 46 46 LEU HB3 H 1 1.813 0.030 . 2 . . . . 46 LEU HB3 . 11164 1 491 . 1 1 46 46 LEU HD11 H 1 0.811 0.030 . 1 . . . . 46 LEU HD1 . 11164 1 492 . 1 1 46 46 LEU HD12 H 1 0.811 0.030 . 1 . . . . 46 LEU HD1 . 11164 1 493 . 1 1 46 46 LEU HD13 H 1 0.811 0.030 . 1 . . . . 46 LEU HD1 . 11164 1 494 . 1 1 46 46 LEU HD21 H 1 0.705 0.030 . 1 . . . . 46 LEU HD2 . 11164 1 495 . 1 1 46 46 LEU HD22 H 1 0.705 0.030 . 1 . . . . 46 LEU HD2 . 11164 1 496 . 1 1 46 46 LEU HD23 H 1 0.705 0.030 . 1 . . . . 46 LEU HD2 . 11164 1 497 . 1 1 46 46 LEU HG H 1 1.760 0.030 . 1 . . . . 46 LEU HG . 11164 1 498 . 1 1 46 46 LEU C C 13 177.503 0.300 . 1 . . . . 46 LEU C . 11164 1 499 . 1 1 46 46 LEU CA C 13 56.700 0.300 . 1 . . . . 46 LEU CA . 11164 1 500 . 1 1 46 46 LEU CB C 13 41.390 0.300 . 1 . . . . 46 LEU CB . 11164 1 501 . 1 1 46 46 LEU CD1 C 13 25.792 0.300 . 2 . . . . 46 LEU CD1 . 11164 1 502 . 1 1 46 46 LEU CD2 C 13 22.370 0.300 . 2 . . . . 46 LEU CD2 . 11164 1 503 . 1 1 46 46 LEU CG C 13 26.610 0.300 . 1 . . . . 46 LEU CG . 11164 1 504 . 1 1 46 46 LEU N N 15 116.671 0.300 . 1 . . . . 46 LEU N . 11164 1 505 . 1 1 47 47 SER H H 1 7.495 0.030 . 1 . . . . 47 SER H . 11164 1 506 . 1 1 47 47 SER HA H 1 4.464 0.030 . 1 . . . . 47 SER HA . 11164 1 507 . 1 1 47 47 SER HB2 H 1 4.025 0.030 . 2 . . . . 47 SER HB2 . 11164 1 508 . 1 1 47 47 SER HB3 H 1 3.948 0.030 . 2 . . . . 47 SER HB3 . 11164 1 509 . 1 1 47 47 SER C C 13 174.369 0.300 . 1 . . . . 47 SER C . 11164 1 510 . 1 1 47 47 SER CA C 13 58.950 0.300 . 1 . . . . 47 SER CA . 11164 1 511 . 1 1 47 47 SER CB C 13 63.646 0.300 . 1 . . . . 47 SER CB . 11164 1 512 . 1 1 47 47 SER N N 15 112.891 0.300 . 1 . . . . 47 SER N . 11164 1 513 . 1 1 48 48 SER H H 1 7.320 0.030 . 1 . . . . 48 SER H . 11164 1 514 . 1 1 48 48 SER HA H 1 4.539 0.030 . 1 . . . . 48 SER HA . 11164 1 515 . 1 1 48 48 SER HB2 H 1 3.873 0.030 . 2 . . . . 48 SER HB2 . 11164 1 516 . 1 1 48 48 SER HB3 H 1 4.050 0.030 . 2 . . . . 48 SER HB3 . 11164 1 517 . 1 1 48 48 SER C C 13 173.829 0.300 . 1 . . . . 48 SER C . 11164 1 518 . 1 1 48 48 SER CA C 13 57.820 0.300 . 1 . . . . 48 SER CA . 11164 1 519 . 1 1 48 48 SER CB C 13 64.741 0.300 . 1 . . . . 48 SER CB . 11164 1 520 . 1 1 48 48 SER N N 15 117.270 0.300 . 1 . . . . 48 SER N . 11164 1 521 . 1 1 49 49 SER H H 1 8.590 0.030 . 1 . . . . 49 SER H . 11164 1 522 . 1 1 49 49 SER HA H 1 4.290 0.030 . 1 . . . . 49 SER HA . 11164 1 523 . 1 1 49 49 SER HB2 H 1 3.941 0.030 . 1 . . . . 49 SER HB2 . 11164 1 524 . 1 1 49 49 SER HB3 H 1 3.941 0.030 . 1 . . . . 49 SER HB3 . 11164 1 525 . 1 1 49 49 SER C C 13 175.092 0.300 . 1 . . . . 49 SER C . 11164 1 526 . 1 1 49 49 SER CA C 13 60.320 0.300 . 1 . . . . 49 SER CA . 11164 1 527 . 1 1 49 49 SER CB C 13 63.058 0.300 . 1 . . . . 49 SER CB . 11164 1 528 . 1 1 49 49 SER N N 15 116.367 0.300 . 1 . . . . 49 SER N . 11164 1 529 . 1 1 50 50 SER H H 1 8.137 0.030 . 1 . . . . 50 SER H . 11164 1 530 . 1 1 50 50 SER HA H 1 4.658 0.030 . 1 . . . . 50 SER HA . 11164 1 531 . 1 1 50 50 SER HB2 H 1 3.801 0.030 . 2 . . . . 50 SER HB2 . 11164 1 532 . 1 1 50 50 SER HB3 H 1 3.637 0.030 . 2 . . . . 50 SER HB3 . 11164 1 533 . 1 1 50 50 SER C C 13 175.145 0.300 . 1 . . . . 50 SER C . 11164 1 534 . 1 1 50 50 SER CA C 13 55.299 0.300 . 1 . . . . 50 SER CA . 11164 1 535 . 1 1 50 50 SER CB C 13 63.039 0.300 . 1 . . . . 50 SER CB . 11164 1 536 . 1 1 50 50 SER N N 15 114.984 0.300 . 1 . . . . 50 SER N . 11164 1 537 . 1 1 51 51 PRO HA H 1 4.278 0.030 . 1 . . . . 51 PRO HA . 11164 1 538 . 1 1 51 51 PRO HB2 H 1 1.959 0.030 . 2 . . . . 51 PRO HB2 . 11164 1 539 . 1 1 51 51 PRO HB3 H 1 2.038 0.030 . 2 . . . . 51 PRO HB3 . 11164 1 540 . 1 1 51 51 PRO HD2 H 1 3.536 0.030 . 2 . . . . 51 PRO HD2 . 11164 1 541 . 1 1 51 51 PRO HD3 H 1 3.520 0.030 . 2 . . . . 51 PRO HD3 . 11164 1 542 . 1 1 51 51 PRO HG2 H 1 2.028 0.030 . 2 . . . . 51 PRO HG2 . 11164 1 543 . 1 1 51 51 PRO HG3 H 1 2.091 0.030 . 2 . . . . 51 PRO HG3 . 11164 1 544 . 1 1 51 51 PRO C C 13 176.850 0.300 . 1 . . . . 51 PRO C . 11164 1 545 . 1 1 51 51 PRO CA C 13 63.231 0.300 . 1 . . . . 51 PRO CA . 11164 1 546 . 1 1 51 51 PRO CB C 13 31.734 0.300 . 1 . . . . 51 PRO CB . 11164 1 547 . 1 1 51 51 PRO CD C 13 50.101 0.300 . 1 . . . . 51 PRO CD . 11164 1 548 . 1 1 51 51 PRO CG C 13 27.475 0.300 . 1 . . . . 51 PRO CG . 11164 1 549 . 1 1 52 52 LYS H H 1 8.145 0.030 . 1 . . . . 52 LYS H . 11164 1 550 . 1 1 52 52 LYS HA H 1 4.721 0.030 . 1 . . . . 52 LYS HA . 11164 1 551 . 1 1 52 52 LYS HB2 H 1 1.462 0.030 . 2 . . . . 52 LYS HB2 . 11164 1 552 . 1 1 52 52 LYS HB3 H 1 1.359 0.030 . 2 . . . . 52 LYS HB3 . 11164 1 553 . 1 1 52 52 LYS HD2 H 1 1.549 0.030 . 2 . . . . 52 LYS HD2 . 11164 1 554 . 1 1 52 52 LYS HD3 H 1 1.633 0.030 . 2 . . . . 52 LYS HD3 . 11164 1 555 . 1 1 52 52 LYS HE2 H 1 2.940 0.030 . 1 . . . . 52 LYS HE2 . 11164 1 556 . 1 1 52 52 LYS HE3 H 1 2.940 0.030 . 1 . . . . 52 LYS HE3 . 11164 1 557 . 1 1 52 52 LYS HG2 H 1 1.187 0.030 . 2 . . . . 52 LYS HG2 . 11164 1 558 . 1 1 52 52 LYS HG3 H 1 1.310 0.030 . 2 . . . . 52 LYS HG3 . 11164 1 559 . 1 1 52 52 LYS C C 13 174.591 0.300 . 1 . . . . 52 LYS C . 11164 1 560 . 1 1 52 52 LYS CA C 13 54.417 0.300 . 1 . . . . 52 LYS CA . 11164 1 561 . 1 1 52 52 LYS CB C 13 36.399 0.300 . 1 . . . . 52 LYS CB . 11164 1 562 . 1 1 52 52 LYS CD C 13 29.034 0.300 . 1 . . . . 52 LYS CD . 11164 1 563 . 1 1 52 52 LYS CE C 13 42.234 0.300 . 1 . . . . 52 LYS CE . 11164 1 564 . 1 1 52 52 LYS CG C 13 24.784 0.300 . 1 . . . . 52 LYS CG . 11164 1 565 . 1 1 52 52 LYS N N 15 124.340 0.300 . 1 . . . . 52 LYS N . 11164 1 566 . 1 1 53 53 CYS H H 1 8.795 0.030 . 1 . . . . 53 CYS H . 11164 1 567 . 1 1 53 53 CYS HA H 1 3.841 0.030 . 1 . . . . 53 CYS HA . 11164 1 568 . 1 1 53 53 CYS HB2 H 1 2.985 0.030 . 2 . . . . 53 CYS HB2 . 11164 1 569 . 1 1 53 53 CYS HB3 H 1 3.152 0.030 . 2 . . . . 53 CYS HB3 . 11164 1 570 . 1 1 53 53 CYS C C 13 178.008 0.300 . 1 . . . . 53 CYS C . 11164 1 571 . 1 1 53 53 CYS CA C 13 60.584 0.300 . 1 . . . . 53 CYS CA . 11164 1 572 . 1 1 53 53 CYS CB C 13 30.982 0.300 . 1 . . . . 53 CYS CB . 11164 1 573 . 1 1 53 53 CYS N N 15 123.681 0.300 . 1 . . . . 53 CYS N . 11164 1 574 . 1 1 54 54 THR H H 1 6.926 0.030 . 1 . . . . 54 THR H . 11164 1 575 . 1 1 54 54 THR HA H 1 3.969 0.030 . 1 . . . . 54 THR HA . 11164 1 576 . 1 1 54 54 THR HB H 1 4.094 0.030 . 1 . . . . 54 THR HB . 11164 1 577 . 1 1 54 54 THR HG21 H 1 1.357 0.030 . 1 . . . . 54 THR HG2 . 11164 1 578 . 1 1 54 54 THR HG22 H 1 1.357 0.030 . 1 . . . . 54 THR HG2 . 11164 1 579 . 1 1 54 54 THR HG23 H 1 1.357 0.030 . 1 . . . . 54 THR HG2 . 11164 1 580 . 1 1 54 54 THR C C 13 174.684 0.300 . 1 . . . . 54 THR C . 11164 1 581 . 1 1 54 54 THR CA C 13 65.315 0.300 . 1 . . . . 54 THR CA . 11164 1 582 . 1 1 54 54 THR CB C 13 68.935 0.300 . 1 . . . . 54 THR CB . 11164 1 583 . 1 1 54 54 THR CG2 C 13 23.084 0.300 . 1 . . . . 54 THR CG2 . 11164 1 584 . 1 1 54 54 THR N N 15 121.066 0.300 . 1 . . . . 54 THR N . 11164 1 585 . 1 1 55 55 ALA H H 1 8.964 0.030 . 1 . . . . 55 ALA H . 11164 1 586 . 1 1 55 55 ALA HA H 1 4.332 0.030 . 1 . . . . 55 ALA HA . 11164 1 587 . 1 1 55 55 ALA HB1 H 1 0.539 0.030 . 1 . . . . 55 ALA HB . 11164 1 588 . 1 1 55 55 ALA HB2 H 1 0.539 0.030 . 1 . . . . 55 ALA HB . 11164 1 589 . 1 1 55 55 ALA HB3 H 1 0.539 0.030 . 1 . . . . 55 ALA HB . 11164 1 590 . 1 1 55 55 ALA C C 13 179.004 0.300 . 1 . . . . 55 ALA C . 11164 1 591 . 1 1 55 55 ALA CA C 13 53.979 0.300 . 1 . . . . 55 ALA CA . 11164 1 592 . 1 1 55 55 ALA CB C 13 17.909 0.300 . 1 . . . . 55 ALA CB . 11164 1 593 . 1 1 55 55 ALA N N 15 125.442 0.300 . 1 . . . . 55 ALA N . 11164 1 594 . 1 1 56 56 CYS H H 1 8.053 0.030 . 1 . . . . 56 CYS H . 11164 1 595 . 1 1 56 56 CYS HA H 1 5.035 0.030 . 1 . . . . 56 CYS HA . 11164 1 596 . 1 1 56 56 CYS HB2 H 1 3.408 0.030 . 2 . . . . 56 CYS HB2 . 11164 1 597 . 1 1 56 56 CYS HB3 H 1 2.626 0.030 . 2 . . . . 56 CYS HB3 . 11164 1 598 . 1 1 56 56 CYS C C 13 175.759 0.300 . 1 . . . . 56 CYS C . 11164 1 599 . 1 1 56 56 CYS CA C 13 58.730 0.300 . 1 . . . . 56 CYS CA . 11164 1 600 . 1 1 56 56 CYS CB C 13 32.857 0.300 . 1 . . . . 56 CYS CB . 11164 1 601 . 1 1 56 56 CYS N N 15 116.614 0.300 . 1 . . . . 56 CYS N . 11164 1 602 . 1 1 57 57 GLN H H 1 8.086 0.030 . 1 . . . . 57 GLN H . 11164 1 603 . 1 1 57 57 GLN HA H 1 4.043 0.030 . 1 . . . . 57 GLN HA . 11164 1 604 . 1 1 57 57 GLN HB2 H 1 2.427 0.030 . 2 . . . . 57 GLN HB2 . 11164 1 605 . 1 1 57 57 GLN HB3 H 1 2.367 0.030 . 2 . . . . 57 GLN HB3 . 11164 1 606 . 1 1 57 57 GLN HE21 H 1 7.238 0.030 . 2 . . . . 57 GLN HE21 . 11164 1 607 . 1 1 57 57 GLN HE22 H 1 6.565 0.030 . 2 . . . . 57 GLN HE22 . 11164 1 608 . 1 1 57 57 GLN HG2 H 1 2.302 0.030 . 2 . . . . 57 GLN HG2 . 11164 1 609 . 1 1 57 57 GLN HG3 H 1 2.204 0.030 . 2 . . . . 57 GLN HG3 . 11164 1 610 . 1 1 57 57 GLN C C 13 174.457 0.300 . 1 . . . . 57 GLN C . 11164 1 611 . 1 1 57 57 GLN CA C 13 58.102 0.300 . 1 . . . . 57 GLN CA . 11164 1 612 . 1 1 57 57 GLN CB C 13 25.828 0.300 . 1 . . . . 57 GLN CB . 11164 1 613 . 1 1 57 57 GLN CG C 13 34.026 0.300 . 1 . . . . 57 GLN CG . 11164 1 614 . 1 1 57 57 GLN N N 15 116.071 0.300 . 1 . . . . 57 GLN N . 11164 1 615 . 1 1 57 57 GLN NE2 N 15 113.112 0.300 . 1 . . . . 57 GLN NE2 . 11164 1 616 . 1 1 58 58 GLU H H 1 8.108 0.030 . 1 . . . . 58 GLU H . 11164 1 617 . 1 1 58 58 GLU HA H 1 4.298 0.030 . 1 . . . . 58 GLU HA . 11164 1 618 . 1 1 58 58 GLU HB2 H 1 2.109 0.030 . 2 . . . . 58 GLU HB2 . 11164 1 619 . 1 1 58 58 GLU HB3 H 1 2.178 0.030 . 2 . . . . 58 GLU HB3 . 11164 1 620 . 1 1 58 58 GLU HG2 H 1 2.497 0.030 . 1 . . . . 58 GLU HG2 . 11164 1 621 . 1 1 58 58 GLU HG3 H 1 2.497 0.030 . 1 . . . . 58 GLU HG3 . 11164 1 622 . 1 1 58 58 GLU C C 13 177.159 0.300 . 1 . . . . 58 GLU C . 11164 1 623 . 1 1 58 58 GLU CA C 13 57.201 0.300 . 1 . . . . 58 GLU CA . 11164 1 624 . 1 1 58 58 GLU CB C 13 30.452 0.300 . 1 . . . . 58 GLU CB . 11164 1 625 . 1 1 58 58 GLU CG C 13 37.468 0.300 . 1 . . . . 58 GLU CG . 11164 1 626 . 1 1 58 58 GLU N N 15 120.756 0.300 . 1 . . . . 58 GLU N . 11164 1 627 . 1 1 59 59 SER H H 1 8.835 0.030 . 1 . . . . 59 SER H . 11164 1 628 . 1 1 59 59 SER HA H 1 4.470 0.030 . 1 . . . . 59 SER HA . 11164 1 629 . 1 1 59 59 SER HB2 H 1 3.849 0.030 . 1 . . . . 59 SER HB2 . 11164 1 630 . 1 1 59 59 SER HB3 H 1 3.849 0.030 . 1 . . . . 59 SER HB3 . 11164 1 631 . 1 1 59 59 SER C C 13 174.768 0.300 . 1 . . . . 59 SER C . 11164 1 632 . 1 1 59 59 SER CA C 13 59.922 0.300 . 1 . . . . 59 SER CA . 11164 1 633 . 1 1 59 59 SER CB C 13 63.455 0.300 . 1 . . . . 59 SER CB . 11164 1 634 . 1 1 59 59 SER N N 15 118.332 0.300 . 1 . . . . 59 SER N . 11164 1 635 . 1 1 60 60 ILE H H 1 7.744 0.030 . 1 . . . . 60 ILE H . 11164 1 636 . 1 1 60 60 ILE HA H 1 4.227 0.030 . 1 . . . . 60 ILE HA . 11164 1 637 . 1 1 60 60 ILE HB H 1 1.468 0.030 . 1 . . . . 60 ILE HB . 11164 1 638 . 1 1 60 60 ILE HD11 H 1 0.463 0.030 . 1 . . . . 60 ILE HD1 . 11164 1 639 . 1 1 60 60 ILE HD12 H 1 0.463 0.030 . 1 . . . . 60 ILE HD1 . 11164 1 640 . 1 1 60 60 ILE HD13 H 1 0.463 0.030 . 1 . . . . 60 ILE HD1 . 11164 1 641 . 1 1 60 60 ILE HG12 H 1 1.352 0.030 . 2 . . . . 60 ILE HG12 . 11164 1 642 . 1 1 60 60 ILE HG13 H 1 0.883 0.030 . 2 . . . . 60 ILE HG13 . 11164 1 643 . 1 1 60 60 ILE HG21 H 1 0.750 0.030 . 1 . . . . 60 ILE HG2 . 11164 1 644 . 1 1 60 60 ILE HG22 H 1 0.750 0.030 . 1 . . . . 60 ILE HG2 . 11164 1 645 . 1 1 60 60 ILE HG23 H 1 0.750 0.030 . 1 . . . . 60 ILE HG2 . 11164 1 646 . 1 1 60 60 ILE C C 13 175.027 0.300 . 1 . . . . 60 ILE C . 11164 1 647 . 1 1 60 60 ILE CA C 13 60.853 0.300 . 1 . . . . 60 ILE CA . 11164 1 648 . 1 1 60 60 ILE CB C 13 39.335 0.300 . 1 . . . . 60 ILE CB . 11164 1 649 . 1 1 60 60 ILE CD1 C 13 14.083 0.300 . 1 . . . . 60 ILE CD1 . 11164 1 650 . 1 1 60 60 ILE CG1 C 13 27.217 0.300 . 1 . . . . 60 ILE CG1 . 11164 1 651 . 1 1 60 60 ILE CG2 C 13 17.707 0.300 . 1 . . . . 60 ILE CG2 . 11164 1 652 . 1 1 60 60 ILE N N 15 123.641 0.300 . 1 . . . . 60 ILE N . 11164 1 653 . 1 1 61 61 VAL H H 1 8.145 0.030 . 1 . . . . 61 VAL H . 11164 1 654 . 1 1 61 61 VAL HA H 1 4.131 0.030 . 1 . . . . 61 VAL HA . 11164 1 655 . 1 1 61 61 VAL HB H 1 2.009 0.030 . 1 . . . . 61 VAL HB . 11164 1 656 . 1 1 61 61 VAL HG11 H 1 0.949 0.030 . 1 . . . . 61 VAL HG1 . 11164 1 657 . 1 1 61 61 VAL HG12 H 1 0.949 0.030 . 1 . . . . 61 VAL HG1 . 11164 1 658 . 1 1 61 61 VAL HG13 H 1 0.949 0.030 . 1 . . . . 61 VAL HG1 . 11164 1 659 . 1 1 61 61 VAL HG21 H 1 0.925 0.030 . 1 . . . . 61 VAL HG2 . 11164 1 660 . 1 1 61 61 VAL HG22 H 1 0.925 0.030 . 1 . . . . 61 VAL HG2 . 11164 1 661 . 1 1 61 61 VAL HG23 H 1 0.925 0.030 . 1 . . . . 61 VAL HG2 . 11164 1 662 . 1 1 61 61 VAL C C 13 176.433 0.300 . 1 . . . . 61 VAL C . 11164 1 663 . 1 1 61 61 VAL CA C 13 61.536 0.300 . 1 . . . . 61 VAL CA . 11164 1 664 . 1 1 61 61 VAL CB C 13 32.848 0.300 . 1 . . . . 61 VAL CB . 11164 1 665 . 1 1 61 61 VAL CG1 C 13 21.548 0.300 . 2 . . . . 61 VAL CG1 . 11164 1 666 . 1 1 61 61 VAL CG2 C 13 20.738 0.300 . 2 . . . . 61 VAL CG2 . 11164 1 667 . 1 1 61 61 VAL N N 15 124.443 0.300 . 1 . . . . 61 VAL N . 11164 1 668 . 1 1 62 62 LYS H H 1 8.577 0.030 . 1 . . . . 62 LYS H . 11164 1 669 . 1 1 62 62 LYS HA H 1 4.019 0.030 . 1 . . . . 62 LYS HA . 11164 1 670 . 1 1 62 62 LYS HB2 H 1 1.820 0.030 . 1 . . . . 62 LYS HB2 . 11164 1 671 . 1 1 62 62 LYS HB3 H 1 1.820 0.030 . 1 . . . . 62 LYS HB3 . 11164 1 672 . 1 1 62 62 LYS HD2 H 1 1.695 0.030 . 1 . . . . 62 LYS HD2 . 11164 1 673 . 1 1 62 62 LYS HD3 H 1 1.695 0.030 . 1 . . . . 62 LYS HD3 . 11164 1 674 . 1 1 62 62 LYS HE2 H 1 2.993 0.030 . 1 . . . . 62 LYS HE2 . 11164 1 675 . 1 1 62 62 LYS HE3 H 1 2.993 0.030 . 1 . . . . 62 LYS HE3 . 11164 1 676 . 1 1 62 62 LYS HG2 H 1 1.446 0.030 . 2 . . . . 62 LYS HG2 . 11164 1 677 . 1 1 62 62 LYS HG3 H 1 1.395 0.030 . 2 . . . . 62 LYS HG3 . 11164 1 678 . 1 1 62 62 LYS C C 13 176.658 0.300 . 1 . . . . 62 LYS C . 11164 1 679 . 1 1 62 62 LYS CA C 13 58.454 0.300 . 1 . . . . 62 LYS CA . 11164 1 680 . 1 1 62 62 LYS CB C 13 32.907 0.300 . 1 . . . . 62 LYS CB . 11164 1 681 . 1 1 62 62 LYS CD C 13 29.363 0.300 . 1 . . . . 62 LYS CD . 11164 1 682 . 1 1 62 62 LYS CE C 13 42.298 0.300 . 1 . . . . 62 LYS CE . 11164 1 683 . 1 1 62 62 LYS CG C 13 24.745 0.300 . 1 . . . . 62 LYS CG . 11164 1 684 . 1 1 62 62 LYS N N 15 126.627 0.300 . 1 . . . . 62 LYS N . 11164 1 685 . 1 1 63 63 ASP H H 1 8.300 0.030 . 1 . . . . 63 ASP H . 11164 1 686 . 1 1 63 63 ASP HA H 1 4.548 0.030 . 1 . . . . 63 ASP HA . 11164 1 687 . 1 1 63 63 ASP HB2 H 1 2.683 0.030 . 2 . . . . 63 ASP HB2 . 11164 1 688 . 1 1 63 63 ASP HB3 H 1 2.625 0.030 . 2 . . . . 63 ASP HB3 . 11164 1 689 . 1 1 63 63 ASP C C 13 175.948 0.300 . 1 . . . . 63 ASP C . 11164 1 690 . 1 1 63 63 ASP CA C 13 54.814 0.300 . 1 . . . . 63 ASP CA . 11164 1 691 . 1 1 63 63 ASP CB C 13 40.638 0.300 . 1 . . . . 63 ASP CB . 11164 1 692 . 1 1 63 63 ASP N N 15 118.039 0.300 . 1 . . . . 63 ASP N . 11164 1 693 . 1 1 64 64 LYS H H 1 7.977 0.030 . 1 . . . . 64 LYS H . 11164 1 694 . 1 1 64 64 LYS HA H 1 4.363 0.030 . 1 . . . . 64 LYS HA . 11164 1 695 . 1 1 64 64 LYS HB2 H 1 1.709 0.030 . 2 . . . . 64 LYS HB2 . 11164 1 696 . 1 1 64 64 LYS HB3 H 1 1.904 0.030 . 2 . . . . 64 LYS HB3 . 11164 1 697 . 1 1 64 64 LYS HD2 H 1 1.662 0.030 . 2 . . . . 64 LYS HD2 . 11164 1 698 . 1 1 64 64 LYS HD3 H 1 1.605 0.030 . 2 . . . . 64 LYS HD3 . 11164 1 699 . 1 1 64 64 LYS HE2 H 1 2.939 0.030 . 1 . . . . 64 LYS HE2 . 11164 1 700 . 1 1 64 64 LYS HE3 H 1 2.939 0.030 . 1 . . . . 64 LYS HE3 . 11164 1 701 . 1 1 64 64 LYS HG2 H 1 1.366 0.030 . 2 . . . . 64 LYS HG2 . 11164 1 702 . 1 1 64 64 LYS HG3 H 1 1.266 0.030 . 2 . . . . 64 LYS HG3 . 11164 1 703 . 1 1 64 64 LYS C C 13 175.725 0.300 . 1 . . . . 64 LYS C . 11164 1 704 . 1 1 64 64 LYS CA C 13 55.515 0.300 . 1 . . . . 64 LYS CA . 11164 1 705 . 1 1 64 64 LYS CB C 13 33.123 0.300 . 1 . . . . 64 LYS CB . 11164 1 706 . 1 1 64 64 LYS CD C 13 28.839 0.300 . 1 . . . . 64 LYS CD . 11164 1 707 . 1 1 64 64 LYS CE C 13 42.216 0.300 . 1 . . . . 64 LYS CE . 11164 1 708 . 1 1 64 64 LYS CG C 13 24.717 0.300 . 1 . . . . 64 LYS CG . 11164 1 709 . 1 1 64 64 LYS N N 15 119.644 0.300 . 1 . . . . 64 LYS N . 11164 1 710 . 1 1 65 65 VAL H H 1 7.576 0.030 . 1 . . . . 65 VAL H . 11164 1 711 . 1 1 65 65 VAL HA H 1 4.229 0.030 . 1 . . . . 65 VAL HA . 11164 1 712 . 1 1 65 65 VAL HB H 1 1.994 0.030 . 1 . . . . 65 VAL HB . 11164 1 713 . 1 1 65 65 VAL HG11 H 1 0.875 0.030 . 1 . . . . 65 VAL HG1 . 11164 1 714 . 1 1 65 65 VAL HG12 H 1 0.875 0.030 . 1 . . . . 65 VAL HG1 . 11164 1 715 . 1 1 65 65 VAL HG13 H 1 0.875 0.030 . 1 . . . . 65 VAL HG1 . 11164 1 716 . 1 1 65 65 VAL HG21 H 1 0.889 0.030 . 1 . . . . 65 VAL HG2 . 11164 1 717 . 1 1 65 65 VAL HG22 H 1 0.889 0.030 . 1 . . . . 65 VAL HG2 . 11164 1 718 . 1 1 65 65 VAL HG23 H 1 0.889 0.030 . 1 . . . . 65 VAL HG2 . 11164 1 719 . 1 1 65 65 VAL C C 13 175.090 0.300 . 1 . . . . 65 VAL C . 11164 1 720 . 1 1 65 65 VAL CA C 13 62.409 0.300 . 1 . . . . 65 VAL CA . 11164 1 721 . 1 1 65 65 VAL CB C 13 32.738 0.300 . 1 . . . . 65 VAL CB . 11164 1 722 . 1 1 65 65 VAL CG1 C 13 21.519 0.300 . 2 . . . . 65 VAL CG1 . 11164 1 723 . 1 1 65 65 VAL CG2 C 13 21.357 0.300 . 2 . . . . 65 VAL CG2 . 11164 1 724 . 1 1 65 65 VAL N N 15 121.417 0.300 . 1 . . . . 65 VAL N . 11164 1 725 . 1 1 66 66 PHE H H 1 8.207 0.030 . 1 . . . . 66 PHE H . 11164 1 726 . 1 1 66 66 PHE HA H 1 4.549 0.030 . 1 . . . . 66 PHE HA . 11164 1 727 . 1 1 66 66 PHE HB2 H 1 2.963 0.030 . 2 . . . . 66 PHE HB2 . 11164 1 728 . 1 1 66 66 PHE HB3 H 1 3.093 0.030 . 2 . . . . 66 PHE HB3 . 11164 1 729 . 1 1 66 66 PHE HD1 H 1 7.239 0.030 . 1 . . . . 66 PHE HD1 . 11164 1 730 . 1 1 66 66 PHE HD2 H 1 7.239 0.030 . 1 . . . . 66 PHE HD2 . 11164 1 731 . 1 1 66 66 PHE HE1 H 1 7.343 0.030 . 1 . . . . 66 PHE HE1 . 11164 1 732 . 1 1 66 66 PHE HE2 H 1 7.343 0.030 . 1 . . . . 66 PHE HE2 . 11164 1 733 . 1 1 66 66 PHE HZ H 1 7.303 0.030 . 1 . . . . 66 PHE HZ . 11164 1 734 . 1 1 66 66 PHE C C 13 179.765 0.300 . 1 . . . . 66 PHE C . 11164 1 735 . 1 1 66 66 PHE CA C 13 58.859 0.300 . 1 . . . . 66 PHE CA . 11164 1 736 . 1 1 66 66 PHE CB C 13 40.854 0.300 . 1 . . . . 66 PHE CB . 11164 1 737 . 1 1 66 66 PHE CD1 C 13 132.286 0.300 . 1 . . . . 66 PHE CD1 . 11164 1 738 . 1 1 66 66 PHE CD2 C 13 132.286 0.300 . 1 . . . . 66 PHE CD2 . 11164 1 739 . 1 1 66 66 PHE CE1 C 13 131.585 0.300 . 1 . . . . 66 PHE CE1 . 11164 1 740 . 1 1 66 66 PHE CE2 C 13 131.585 0.300 . 1 . . . . 66 PHE CE2 . 11164 1 741 . 1 1 66 66 PHE CZ C 13 129.814 0.300 . 1 . . . . 66 PHE CZ . 11164 1 742 . 1 1 66 66 PHE N N 15 130.144 0.300 . 1 . . . . 66 PHE N . 11164 1 stop_ save_