data_17383 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17383 _Entry.Title ; Crimean Congo Hemorrhagic Fever Gn zinc finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-27 _Entry.Accession_date 2010-12-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'solution nmr structure of the crimean congo hemorrhagic fever cytoplasmic tail' _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 David Estrada . F. . 17383 2 Roberto 'De Guzman' . N. . 17383 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 1 'not applicable' 'not applicable' . 17383 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CRIMEAN CONGO' . 17383 'CYTOPLASMIC TAIL' . 17383 NMR . 17383 'ZINC FINGER' . 17383 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17383 heteronucl_NOEs 1 17383 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 148 17383 '15N chemical shifts' 70 17383 '1H chemical shifts' 154 17383 'heteronuclear NOE values' 67 17383 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 2 . . 2011-06-24 2010-12-27 update BMRB 'update entry citation' 17383 1 . . 2011-05-03 2010-12-27 original author 'original release' 17383 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L7X 'BMRB Entry Tracking System' 17383 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17383 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21507948 _Citation.Full_citation . _Citation.Title 'Structural characterization of the crimean-congo hemorrhagic Fever virus gn tail provides insight into virus assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 24 _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 21678 _Citation.Page_last 21686 _Citation.Year 2011 _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 'D. Fernando' Estrada . . . 17383 1 2 Roberto 'De Guzman' . N. . 17383 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17383 _Assembly.ID 1 _Assembly.Name 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' _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 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 $CRIMEAN_CONGO_GN_ZINC_FINGER A . yes native no no . . . 17383 1 2 'ZINC ION 1' 2 $ZN B . no native no no . . . 17383 1 3 'ZINC ION 2' 2 $ZN B . no native no no . . . 17383 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 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 CYS 8 8 SG . 2 'ZINC ION 1' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 2 coordination single . 1 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 CYS 11 11 SG . 2 'ZINC ION 1' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 3 coordination single . 1 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 HIS 24 24 ND1 . 2 'ZINC ION 1' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 4 coordination single . 1 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 CYS 28 28 SG . 2 'ZINC ION 1' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 5 coordination single . 1 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 CYS 33 33 SG . 3 'ZINC ION 2' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 6 coordination single . 1 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 CYS 36 36 SG . 3 'ZINC ION 2' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 7 coordination single . 1 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 HIS 48 48 NE2 . 3 'ZINC ION 2' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 8 coordination single . 1 'Crimean Congo Hemorrhagic Fever Virus Cytoplasmic Gn Tail' 1 CYS 52 52 SG . 3 'ZINC ION 2' 2 ZN 1 1 ZN . . . . . . . . . . 17383 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRIMEAN_CONGO_GN_ZINC_FINGER _Entity.Sf_category entity _Entity.Sf_framecode CRIMEAN_CONGO_GN_ZINC_FINGER _Entity.Entry_ID 17383 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CRIMEAN_CONGO_GN_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 ; RELKPQTCTICETTPVNAID AEMHDLNCSYNICPYCASRL TSDGLARHVTQCPKRKEKVE ETELYLNLERIPWVVRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8936.340 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2L7X . "Crimean Congo Hemorrhagic Fever Gn Zinc Finger" . . . . . 100.00 77 100.00 100.00 1.80e-48 . . . . 17383 1 2 no DBJ BAB84574 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1689 98.70 98.70 1.00e-43 . . . . 17383 1 3 no DBJ BAB84575 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1689 98.70 98.70 9.35e-44 . . . . 17383 1 4 no DBJ BAB84577 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1689 97.40 98.70 1.49e-43 . . . . 17383 1 5 no DBJ BAB84578 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1689 97.40 98.70 1.47e-43 . . . . 17383 1 6 no EMBL CAD61343 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1689 100.00 100.00 2.30e-44 . . . . 17383 1 7 no EMBL CAD61345 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1685 98.70 100.00 5.59e-44 . . . . 17383 1 8 no GB AAA86616 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1684 98.70 98.70 1.72e-43 . . . . 17383 1 9 no GB AAK18286 . "envelope glycoprotein precursor [Crimean-Congo hemorrhagic fever virus strain BA88166]" . . . . . 100.00 1689 97.40 98.70 1.53e-43 . . . . 17383 1 10 no GB AAM48106 . "glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1684 98.70 98.70 1.73e-43 . . . . 17383 1 11 no GB AAM48107 . "glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1689 97.40 98.70 1.67e-43 . . . . 17383 1 12 no GB AAP29978 . "polyprotein [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1689 97.40 98.70 1.40e-43 . . . . 17383 1 13 no REF NP_950235 . "glycoprotein precursor [Crimean-Congo hemorrhagic fever virus]" . . . . . 100.00 1684 98.70 98.70 1.73e-43 . . . . 17383 1 14 no SP Q8JSZ3 . "RecName: Full=Envelope glycoprotein; Short=GP; AltName: Full=M polyprotein; Contains: RecName: Full=Mucin-like variable region;" . . . . . 100.00 1684 98.70 98.70 1.73e-43 . . . . 17383 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 29 ARG . 17383 1 2 30 GLU . 17383 1 3 31 LEU . 17383 1 4 32 LYS . 17383 1 5 33 PRO . 17383 1 6 34 GLN . 17383 1 7 35 THR . 17383 1 8 36 CYS . 17383 1 9 37 THR . 17383 1 10 38 ILE . 17383 1 11 39 CYS . 17383 1 12 40 GLU . 17383 1 13 41 THR . 17383 1 14 42 THR . 17383 1 15 43 PRO . 17383 1 16 44 VAL . 17383 1 17 45 ASN . 17383 1 18 46 ALA . 17383 1 19 47 ILE . 17383 1 20 48 ASP . 17383 1 21 49 ALA . 17383 1 22 50 GLU . 17383 1 23 51 MET . 17383 1 24 52 HIS . 17383 1 25 53 ASP . 17383 1 26 54 LEU . 17383 1 27 55 ASN . 17383 1 28 56 CYS . 17383 1 29 57 SER . 17383 1 30 58 TYR . 17383 1 31 59 ASN . 17383 1 32 60 ILE . 17383 1 33 61 CYS . 17383 1 34 62 PRO . 17383 1 35 63 TYR . 17383 1 36 64 CYS . 17383 1 37 65 ALA . 17383 1 38 66 SER . 17383 1 39 67 ARG . 17383 1 40 68 LEU . 17383 1 41 69 THR . 17383 1 42 70 SER . 17383 1 43 71 ASP . 17383 1 44 72 GLY . 17383 1 45 73 LEU . 17383 1 46 74 ALA . 17383 1 47 75 ARG . 17383 1 48 76 HIS . 17383 1 49 77 VAL . 17383 1 50 78 THR . 17383 1 51 79 GLN . 17383 1 52 80 CYS . 17383 1 53 81 PRO . 17383 1 54 82 LYS . 17383 1 55 83 ARG . 17383 1 56 84 LYS . 17383 1 57 85 GLU . 17383 1 58 86 LYS . 17383 1 59 87 VAL . 17383 1 60 88 GLU . 17383 1 61 89 GLU . 17383 1 62 90 THR . 17383 1 63 91 GLU . 17383 1 64 92 LEU . 17383 1 65 93 TYR . 17383 1 66 94 LEU . 17383 1 67 95 ASN . 17383 1 68 96 LEU . 17383 1 69 97 GLU . 17383 1 70 98 ARG . 17383 1 71 99 ILE . 17383 1 72 100 PRO . 17383 1 73 101 TRP . 17383 1 74 102 VAL . 17383 1 75 103 VAL . 17383 1 76 104 ARG . 17383 1 77 105 LYS . 17383 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 . ARG 1 1 17383 1 . GLU 2 2 17383 1 . LEU 3 3 17383 1 . LYS 4 4 17383 1 . PRO 5 5 17383 1 . GLN 6 6 17383 1 . THR 7 7 17383 1 . CYS 8 8 17383 1 . THR 9 9 17383 1 . ILE 10 10 17383 1 . CYS 11 11 17383 1 . GLU 12 12 17383 1 . THR 13 13 17383 1 . THR 14 14 17383 1 . PRO 15 15 17383 1 . VAL 16 16 17383 1 . ASN 17 17 17383 1 . ALA 18 18 17383 1 . ILE 19 19 17383 1 . ASP 20 20 17383 1 . ALA 21 21 17383 1 . GLU 22 22 17383 1 . MET 23 23 17383 1 . HIS 24 24 17383 1 . ASP 25 25 17383 1 . LEU 26 26 17383 1 . ASN 27 27 17383 1 . CYS 28 28 17383 1 . SER 29 29 17383 1 . TYR 30 30 17383 1 . ASN 31 31 17383 1 . ILE 32 32 17383 1 . CYS 33 33 17383 1 . PRO 34 34 17383 1 . TYR 35 35 17383 1 . CYS 36 36 17383 1 . ALA 37 37 17383 1 . SER 38 38 17383 1 . ARG 39 39 17383 1 . LEU 40 40 17383 1 . THR 41 41 17383 1 . SER 42 42 17383 1 . ASP 43 43 17383 1 . GLY 44 44 17383 1 . LEU 45 45 17383 1 . ALA 46 46 17383 1 . ARG 47 47 17383 1 . HIS 48 48 17383 1 . VAL 49 49 17383 1 . THR 50 50 17383 1 . GLN 51 51 17383 1 . CYS 52 52 17383 1 . PRO 53 53 17383 1 . LYS 54 54 17383 1 . ARG 55 55 17383 1 . LYS 56 56 17383 1 . GLU 57 57 17383 1 . LYS 58 58 17383 1 . VAL 59 59 17383 1 . GLU 60 60 17383 1 . GLU 61 61 17383 1 . THR 62 62 17383 1 . GLU 63 63 17383 1 . LEU 64 64 17383 1 . TYR 65 65 17383 1 . LEU 66 66 17383 1 . ASN 67 67 17383 1 . LEU 68 68 17383 1 . GLU 69 69 17383 1 . ARG 70 70 17383 1 . ILE 71 71 17383 1 . PRO 72 72 17383 1 . TRP 73 73 17383 1 . VAL 74 74 17383 1 . VAL 75 75 17383 1 . ARG 76 76 17383 1 . LYS 77 77 17383 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17383 _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 . 17383 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 17383 _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 $CRIMEAN_CONGO_GN_ZINC_FINGER . 11593 virus . 'nairovirus, bunyaviridae' 'Crimean-Congo hemorrhagic fever virus' CCHFV 00.011.0.03.002. viruses . nairovirus 'Crimean-Congo hemorrhagic fever virus' SPU103/87 . . . . . . . . . . . . . . . . . . . . 17383 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 17383 _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 $CRIMEAN_CONGO_GN_ZINC_FINGER . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli BL21 . . . . . . . . . . . . . . . pET21a . . . 'modified to include GB1 solubility enhancement tag at N terminus' . . 17383 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 17383 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 11:09:24 2011 ; _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=1S/Zn/q+2 InChI InChI 1.03 17383 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17383 ZN [Zn++] SMILES CACTVS 3.341 17383 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17383 ZN [Zn+2] SMILES ACDLabs 10.04 17383 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17383 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17383 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 17383 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17383 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17383 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_cchfv_gn_729-805_n15 _Sample.Sf_category sample _Sample.Sf_framecode cchfv_gn_729-805_n15 _Sample.Entry_ID 17383 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 ul' _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 'CRIMEAN CONGO GN ZINC FINGER' '[U-99% 15N]' . . 1 $CRIMEAN_CONGO_GN_ZINC_FINGER . . .7 . . mM . . . . 17383 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17383 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 17383 1 4 'zinc sulfate' 'natural abundance' . . . . . . 0.1 . . mM . . . . 17383 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17383 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17383 1 stop_ save_ save_cchfv_gn_729-805_n15_c13 _Sample.Sf_category sample _Sample.Sf_framecode cchfv_gn_729-805_n15_c13 _Sample.Entry_ID 17383 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 ul' _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 'CRIMEAN CONGO GN ZINC FINGER' '[U-99% 13C; U-99% 15N]' . . 1 $CRIMEAN_CONGO_GN_ZINC_FINGER . . .5 . . mM . . . . 17383 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17383 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 17383 2 4 'zinc sulfate' 'natural abundance' . . . . . . 0.1 . . mM . . . . 17383 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17383 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17383 2 stop_ save_ save_cchfv_gn_729-805_n15_c13_D2O _Sample.Sf_category sample _Sample.Sf_framecode cchfv_gn_729-805_n15_c13_D2O _Sample.Entry_ID 17383 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 ul' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'CRIMEAN CONGO GN ZINC FINGER' '[U-99% 13C; U-99% 15N]' . . 1 $CRIMEAN_CONGO_GN_ZINC_FINGER . . .7 . . mM . . . . 17383 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17383 3 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 17383 3 4 'zinc sulfate' 'natural abundance' . . . . . . 0.1 . . mM . . . . 17383 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17383 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17383 _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 pH 6.9 . pH 17383 1 pressure 1 . atm 17383 1 temperature 273 . K 17383 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17383 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 17383 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17383 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17383 _Software.ID 2 _Software.Name AMBER _Software.Version 7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17383 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17383 2 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 17383 _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 17383 _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 . . . 17383 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 17383 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $cchfv_gn_729-805_n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 2 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $cchfv_gn_729-805_n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $cchfv_gn_729-805_n15_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $cchfv_gn_729-805_n15_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 5 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $cchfv_gn_729-805_n15_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $cchfv_gn_729-805_n15_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 7 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $cchfv_gn_729-805_n15_c13_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 8 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $cchfv_gn_729-805_n15_c13_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 9 '2D 1H-15N HeteroNuclear NOE' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $cchfv_gn_729-805_n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17383 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17383 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17383 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17383 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17383 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17383 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17383 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 2 '3D 1H-15N NOESY' . . . 17383 1 3 '3D HNCA' . . . 17383 1 4 '3D HNCACB' . . . 17383 1 6 '3D CBCA(CO)NH' . . . 17383 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 1 1 ARG H H 1 8.539 . . 1 . . . . 29 ARG HN . 17383 1 2 . 1 1 1 1 ARG HA H 1 4.251 . . 1 . . . . 29 ARG HA . 17383 1 3 . 1 1 1 1 ARG CA C 13 56.423 . . 1 . . . . 29 ARG CA . 17383 1 4 . 1 1 1 1 ARG CB C 13 30.601 . . 1 . . . . 29 ARG CB . 17383 1 5 . 1 1 1 1 ARG N N 15 122.619 . . 1 . . . . 29 ARG N . 17383 1 6 . 1 1 2 2 GLU H H 1 8.404 . . 1 . . . . 30 GLU HN . 17383 1 7 . 1 1 2 2 GLU HA H 1 4.251 . . 1 . . . . 30 GLU HA . 17383 1 8 . 1 1 2 2 GLU CA C 13 56.474 . . 1 . . . . 30 GLU CA . 17383 1 9 . 1 1 2 2 GLU CB C 13 30.388 . . 1 . . . . 30 GLU CB . 17383 1 10 . 1 1 2 2 GLU N N 15 121.916 . . 1 . . . . 30 GLU N . 17383 1 11 . 1 1 3 3 LEU H H 1 8.177 . . 1 . . . . 31 LEU HN . 17383 1 12 . 1 1 3 3 LEU HA H 1 4.289 . . 1 . . . . 31 LEU HA . 17383 1 13 . 1 1 3 3 LEU CA C 13 55.085 . . 1 . . . . 31 LEU CA . 17383 1 14 . 1 1 3 3 LEU CB C 13 42.411 . . 1 . . . . 31 LEU CB . 17383 1 15 . 1 1 3 3 LEU N N 15 123.439 . . 1 . . . . 31 LEU N . 17383 1 16 . 1 1 4 4 LYS H H 1 8.228 . . 1 . . . . 32 LYS HN . 17383 1 17 . 1 1 4 4 LYS HA H 1 4.520 . . 1 . . . . 32 LYS HA . 17383 1 18 . 1 1 4 4 LYS CA C 13 53.895 . . 1 . . . . 32 LYS CA . 17383 1 19 . 1 1 4 4 LYS CB C 13 32.404 . . 1 . . . . 32 LYS CB . 17383 1 20 . 1 1 4 4 LYS N N 15 123.645 . . 1 . . . . 32 LYS N . 17383 1 21 . 1 1 5 5 PRO HA H 1 4.289 . . 1 . . . . 33 PRO HA . 17383 1 22 . 1 1 5 5 PRO CA C 13 62.794 . . 1 . . . . 33 PRO CA . 17383 1 23 . 1 1 5 5 PRO CB C 13 32.542 . . 1 . . . . 33 PRO CB . 17383 1 24 . 1 1 6 6 GLN H H 1 8.278 . . 1 . . . . 34 GLN HN . 17383 1 25 . 1 1 6 6 GLN HA H 1 4.206 . . 1 . . . . 34 GLN HA . 17383 1 26 . 1 1 6 6 GLN CA C 13 55.153 . . 1 . . . . 34 GLN CA . 17383 1 27 . 1 1 6 6 GLN CB C 13 29.843 . . 1 . . . . 34 GLN CB . 17383 1 28 . 1 1 6 6 GLN N N 15 119.956 . . 1 . . . . 34 GLN N . 17383 1 29 . 1 1 7 7 THR H H 1 8.102 . . 1 . . . . 35 THR HN . 17383 1 30 . 1 1 7 7 THR HA H 1 3.726 . . 1 . . . . 35 THR HA . 17383 1 31 . 1 1 7 7 THR CA C 13 64.131 . . 1 . . . . 35 THR CA . 17383 1 32 . 1 1 7 7 THR CB C 13 70.033 . . 1 . . . . 35 THR CB . 17383 1 33 . 1 1 7 7 THR N N 15 116.865 . . 1 . . . . 35 THR N . 17383 1 34 . 1 1 8 8 CYS H H 1 8.160 . . 1 . . . . 36 CYS HN . 17383 1 35 . 1 1 8 8 CYS HA H 1 4.439 . . 1 . . . . 36 CYS HA . 17383 1 36 . 1 1 8 8 CYS CA C 13 59.591 . . 1 . . . . 36 CYS CA . 17383 1 37 . 1 1 8 8 CYS CB C 13 30.329 . . 1 . . . . 36 CYS CB . 17383 1 38 . 1 1 8 8 CYS N N 15 128.681 . . 1 . . . . 36 CYS N . 17383 1 39 . 1 1 9 9 THR H H 1 9.553 . . 1 . . . . 37 THR HN . 17383 1 40 . 1 1 9 9 THR HB H 1 4.064 . . 1 . . . . 37 THR HB . 17383 1 41 . 1 1 9 9 THR CA C 13 63.839 . . 1 . . . . 37 THR CA . 17383 1 42 . 1 1 9 9 THR CB C 13 69.111 . . 1 . . . . 37 THR CB . 17383 1 43 . 1 1 9 9 THR N N 15 121.780 . . 1 . . . . 37 THR N . 17383 1 44 . 1 1 10 10 ILE H H 1 8.434 . . 1 . . . . 38 ILE HN . 17383 1 45 . 1 1 10 10 ILE HA H 1 4.101 . . 1 . . . . 38 ILE HA . 17383 1 46 . 1 1 10 10 ILE HB H 1 1.776 . . 1 . . . . 38 ILE HB . 17383 1 47 . 1 1 10 10 ILE CA C 13 63.370 . . 1 . . . . 38 ILE CA . 17383 1 48 . 1 1 10 10 ILE CB C 13 38.176 . . 1 . . . . 38 ILE CB . 17383 1 49 . 1 1 10 10 ILE N N 15 122.421 . . 1 . . . . 38 ILE N . 17383 1 50 . 1 1 11 11 CYS H H 1 8.240 . . 1 . . . . 39 CYS HN . 17383 1 51 . 1 1 11 11 CYS HA H 1 4.589 . . 1 . . . . 39 CYS HA . 17383 1 52 . 1 1 11 11 CYS CA C 13 59.322 . . 1 . . . . 39 CYS CA . 17383 1 53 . 1 1 11 11 CYS CB C 13 31.036 . . 1 . . . . 39 CYS CB . 17383 1 54 . 1 1 11 11 CYS N N 15 117.943 . . 1 . . . . 39 CYS N . 17383 1 55 . 1 1 12 12 GLU H H 1 7.496 . . 1 . . . . 40 GLU HN . 17383 1 56 . 1 1 12 12 GLU HA H 1 3.914 . . 1 . . . . 40 GLU HA . 17383 1 57 . 1 1 12 12 GLU CA C 13 58.070 . . 1 . . . . 40 GLU CA . 17383 1 58 . 1 1 12 12 GLU CB C 13 26.699 . . 1 . . . . 40 GLU CB . 17383 1 59 . 1 1 12 12 GLU N N 15 113.915 . . 1 . . . . 40 GLU N . 17383 1 60 . 1 1 13 13 THR H H 1 8.463 . . 1 . . . . 41 THR HN . 17383 1 61 . 1 1 13 13 THR HA H 1 4.251 . . 1 . . . . 41 THR HA . 17383 1 62 . 1 1 13 13 THR HB H 1 4.626 . . 1 . . . . 41 THR HB . 17383 1 63 . 1 1 13 13 THR CA C 13 62.208 . . 1 . . . . 41 THR CA . 17383 1 64 . 1 1 13 13 THR CB C 13 70.690 . . 1 . . . . 41 THR CB . 17383 1 65 . 1 1 13 13 THR N N 15 115.758 . . 1 . . . . 41 THR N . 17383 1 66 . 1 1 14 14 THR H H 1 8.791 . . 1 . . . . 42 THR HN . 17383 1 67 . 1 1 14 14 THR HA H 1 4.422 . . 1 . . . . 42 THR HA . 17383 1 68 . 1 1 14 14 THR CA C 13 60.862 . . 1 . . . . 42 THR CA . 17383 1 69 . 1 1 14 14 THR N N 15 121.689 . . 1 . . . . 42 THR N . 17383 1 70 . 1 1 15 15 PRO HA H 1 4.326 . . 1 . . . . 43 PRO HA . 17383 1 71 . 1 1 15 15 PRO CA C 13 61.956 . . 1 . . . . 43 PRO CA . 17383 1 72 . 1 1 16 16 VAL H H 1 9.959 . . 1 . . . . 44 VAL HN . 17383 1 73 . 1 1 16 16 VAL HA H 1 4.026 . . 1 . . . . 44 VAL HA . 17383 1 74 . 1 1 16 16 VAL HB H 1 2.301 . . 1 . . . . 44 VAL HB . 17383 1 75 . 1 1 16 16 VAL CA C 13 63.696 . . 1 . . . . 44 VAL CA . 17383 1 76 . 1 1 16 16 VAL CB C 13 32.182 . . 1 . . . . 44 VAL CB . 17383 1 77 . 1 1 16 16 VAL N N 15 115.711 . . 1 . . . . 44 VAL N . 17383 1 78 . 1 1 17 17 ASN H H 1 7.442 . . 1 . . . . 45 ASN HN . 17383 1 79 . 1 1 17 17 ASN HA H 1 4.514 . . 1 . . . . 45 ASN HA . 17383 1 80 . 1 1 17 17 ASN CA C 13 52.236 . . 1 . . . . 45 ASN CA . 17383 1 81 . 1 1 17 17 ASN CB C 13 39.547 . . 1 . . . . 45 ASN CB . 17383 1 82 . 1 1 17 17 ASN N N 15 112.059 . . 1 . . . . 45 ASN N . 17383 1 83 . 1 1 18 18 ALA H H 1 8.841 . . 1 . . . . 46 ALA HN . 17383 1 84 . 1 1 18 18 ALA HA H 1 4.176 . . 1 . . . . 46 ALA HA . 17383 1 85 . 1 1 18 18 ALA CA C 13 55.854 . . 1 . . . . 46 ALA CA . 17383 1 86 . 1 1 18 18 ALA CB C 13 18.389 . . 1 . . . . 46 ALA CB . 17383 1 87 . 1 1 18 18 ALA N N 15 121.144 . . 1 . . . . 46 ALA N . 17383 1 88 . 1 1 19 19 ILE H H 1 7.816 . . 1 . . . . 47 ILE HN . 17383 1 89 . 1 1 19 19 ILE HA H 1 3.914 . . 1 . . . . 47 ILE HA . 17383 1 90 . 1 1 19 19 ILE HB H 1 1.851 . . 1 . . . . 47 ILE HB . 17383 1 91 . 1 1 19 19 ILE CA C 13 64.077 . . 1 . . . . 47 ILE CA . 17383 1 92 . 1 1 19 19 ILE CB C 13 37.537 . . 1 . . . . 47 ILE CB . 17383 1 93 . 1 1 19 19 ILE N N 15 120.643 . . 1 . . . . 47 ILE N . 17383 1 94 . 1 1 20 20 ASP H H 1 8.261 . . 1 . . . . 48 ASP HN . 17383 1 95 . 1 1 20 20 ASP HA H 1 4.694 . . 1 . . . . 48 ASP HA . 17383 1 96 . 1 1 20 20 ASP CA C 13 56.461 . . 1 . . . . 48 ASP CA . 17383 1 97 . 1 1 20 20 ASP CB C 13 41.389 . . 1 . . . . 48 ASP CB . 17383 1 98 . 1 1 20 20 ASP N N 15 120.423 . . 1 . . . . 48 ASP N . 17383 1 99 . 1 1 21 21 ALA HA H 1 3.839 . . 1 . . . . 49 ALA HA . 17383 1 100 . 1 1 21 21 ALA CA C 13 56.109 . . 1 . . . . 49 ALA CA . 17383 1 101 . 1 1 21 21 ALA CB C 13 17.850 . . 1 . . . . 49 ALA CB . 17383 1 102 . 1 1 22 22 GLU H H 1 7.715 . . 1 . . . . 50 GLU HN . 17383 1 103 . 1 1 22 22 GLU HA H 1 4.214 . . 1 . . . . 50 GLU HA . 17383 1 104 . 1 1 22 22 GLU CA C 13 59.496 . . 1 . . . . 50 GLU CA . 17383 1 105 . 1 1 22 22 GLU CB C 13 29.367 . . 1 . . . . 50 GLU CB . 17383 1 106 . 1 1 22 22 GLU N N 15 119.591 . . 1 . . . . 50 GLU N . 17383 1 107 . 1 1 23 23 MET H H 1 7.992 . . 1 . . . . 51 MET HN . 17383 1 108 . 1 1 23 23 MET HA H 1 4.269 . . 1 . . . . 51 MET HA . 17383 1 109 . 1 1 23 23 MET CA C 13 58.283 . . 1 . . . . 51 MET CA . 17383 1 110 . 1 1 23 23 MET CB C 13 31.891 . . 1 . . . . 51 MET CB . 17383 1 111 . 1 1 23 23 MET N N 15 118.274 . . 1 . . . . 51 MET N . 17383 1 112 . 1 1 24 24 HIS H H 1 8.068 . . 1 . . . . 52 HIS HN . 17383 1 113 . 1 1 24 24 HIS HA H 1 4.739 . . 1 . . . . 52 HIS HA . 17383 1 114 . 1 1 24 24 HIS CA C 13 60.871 . . 1 . . . . 52 HIS CA . 17383 1 115 . 1 1 24 24 HIS CB C 13 29.995 . . 1 . . . . 52 HIS CB . 17383 1 116 . 1 1 24 24 HIS N N 15 120.999 . . 1 . . . . 52 HIS N . 17383 1 117 . 1 1 25 25 ASP H H 1 8.068 . . 1 . . . . 53 ASP HN . 17383 1 118 . 1 1 25 25 ASP HA H 1 4.476 . . 1 . . . . 53 ASP HA . 17383 1 119 . 1 1 25 25 ASP CA C 13 57.838 . . 1 . . . . 53 ASP CA . 17383 1 120 . 1 1 25 25 ASP CB C 13 40.828 . . 1 . . . . 53 ASP CB . 17383 1 121 . 1 1 25 25 ASP N N 15 120.713 . . 1 . . . . 53 ASP N . 17383 1 122 . 1 1 26 26 LEU H H 1 7.939 . . 1 . . . . 54 LEU HN . 17383 1 123 . 1 1 26 26 LEU HA H 1 4.364 . . 1 . . . . 54 LEU HA . 17383 1 124 . 1 1 26 26 LEU CA C 13 56.467 . . 1 . . . . 54 LEU CA . 17383 1 125 . 1 1 26 26 LEU CB C 13 43.880 . . 1 . . . . 54 LEU CB . 17383 1 126 . 1 1 26 26 LEU N N 15 116.467 . . 1 . . . . 54 LEU N . 17383 1 127 . 1 1 27 27 ASN H H 1 7.547 . . 1 . . . . 55 ASN HN . 17383 1 128 . 1 1 27 27 ASN HA H 1 5.001 . . 1 . . . . 55 ASN HA . 17383 1 129 . 1 1 27 27 ASN CA C 13 56.913 . . 1 . . . . 55 ASN CA . 17383 1 130 . 1 1 27 27 ASN CB C 13 41.143 . . 1 . . . . 55 ASN CB . 17383 1 131 . 1 1 27 27 ASN N N 15 114.750 . . 1 . . . . 55 ASN N . 17383 1 132 . 1 1 28 28 CYS H H 1 9.048 . . 1 . . . . 56 CYS HN . 17383 1 133 . 1 1 28 28 CYS HA H 1 4.064 . . 1 . . . . 56 CYS HA . 17383 1 134 . 1 1 28 28 CYS CA C 13 66.429 . . 1 . . . . 56 CYS CA . 17383 1 135 . 1 1 28 28 CYS CB C 13 28.008 . . 1 . . . . 56 CYS CB . 17383 1 136 . 1 1 28 28 CYS N N 15 124.595 . . 1 . . . . 56 CYS N . 17383 1 137 . 1 1 29 29 SER H H 1 8.261 . . 1 . . . . 57 SER HN . 17383 1 138 . 1 1 29 29 SER HA H 1 3.914 . . 1 . . . . 57 SER HA . 17383 1 139 . 1 1 29 29 SER CA C 13 60.916 . . 1 . . . . 57 SER CA . 17383 1 140 . 1 1 29 29 SER CB C 13 62.228 . . 1 . . . . 57 SER CB . 17383 1 141 . 1 1 29 29 SER N N 15 112.566 . . 1 . . . . 57 SER N . 17383 1 142 . 1 1 30 30 TYR H H 1 7.530 . . 1 . . . . 58 TYR HN . 17383 1 143 . 1 1 30 30 TYR HA H 1 4.551 . . 1 . . . . 58 TYR HA . 17383 1 144 . 1 1 30 30 TYR CA C 13 57.310 . . 1 . . . . 58 TYR CA . 17383 1 145 . 1 1 30 30 TYR CB C 13 38.507 . . 1 . . . . 58 TYR CB . 17383 1 146 . 1 1 30 30 TYR N N 15 119.570 . . 1 . . . . 58 TYR N . 17383 1 147 . 1 1 31 31 ASN H H 1 8.169 . . 1 . . . . 59 ASN HN . 17383 1 148 . 1 1 31 31 ASN HA H 1 4.139 . . 1 . . . . 59 ASN HA . 17383 1 149 . 1 1 31 31 ASN CA C 13 55.159 . . 1 . . . . 59 ASN CA . 17383 1 150 . 1 1 31 31 ASN CB C 13 36.838 . . 1 . . . . 59 ASN CB . 17383 1 151 . 1 1 31 31 ASN N N 15 114.116 . . 1 . . . . 59 ASN N . 17383 1 152 . 1 1 32 32 ILE H H 1 7.328 . . 1 . . . . 60 ILE HN . 17383 1 153 . 1 1 32 32 ILE HA H 1 4.502 . . 1 . . . . 60 ILE HA . 17383 1 154 . 1 1 32 32 ILE CA C 13 58.937 . . 1 . . . . 60 ILE CA . 17383 1 155 . 1 1 32 32 ILE CB C 13 40.207 . . 1 . . . . 60 ILE CB . 17383 1 156 . 1 1 32 32 ILE N N 15 119.165 . . 1 . . . . 60 ILE N . 17383 1 157 . 1 1 33 33 CYS HA H 1 4.373 . . 1 . . . . 61 CYS HA . 17383 1 158 . 1 1 33 33 CYS CA C 13 58.960 . . 1 . . . . 61 CYS CA . 17383 1 159 . 1 1 33 33 CYS CB C 13 40.229 . . 1 . . . . 61 CYS CB . 17383 1 160 . 1 1 34 34 PRO HA H 1 3.951 . . 1 . . . . 62 PRO HA . 17383 1 161 . 1 1 34 34 PRO CA C 13 60.274 . . 1 . . . . 62 PRO CA . 17383 1 162 . 1 1 34 34 PRO CB C 13 31.579 . . 1 . . . . 62 PRO CB . 17383 1 163 . 1 1 35 35 TYR H H 1 9.245 . . 1 . . . . 63 TYR HN . 17383 1 164 . 1 1 35 35 TYR HA H 1 4.551 . . 1 . . . . 63 TYR HA . 17383 1 165 . 1 1 35 35 TYR CA C 13 59.625 . . 1 . . . . 63 TYR CA . 17383 1 166 . 1 1 35 35 TYR CB C 13 39.249 . . 1 . . . . 63 TYR CB . 17383 1 167 . 1 1 35 35 TYR N N 15 120.011 . . 1 . . . . 63 TYR N . 17383 1 168 . 1 1 36 36 CYS H H 1 8.505 . . 1 . . . . 64 CYS HN . 17383 1 169 . 1 1 36 36 CYS HA H 1 5.001 . . 1 . . . . 64 CYS HA . 17383 1 170 . 1 1 36 36 CYS CA C 13 58.158 . . 1 . . . . 64 CYS CA . 17383 1 171 . 1 1 36 36 CYS CB C 13 32.484 . . 1 . . . . 64 CYS CB . 17383 1 172 . 1 1 36 36 CYS N N 15 117.569 . . 1 . . . . 64 CYS N . 17383 1 173 . 1 1 37 37 ALA H H 1 7.774 . . 1 . . . . 65 ALA HN . 17383 1 174 . 1 1 37 37 ALA HA H 1 4.064 . . 1 . . . . 65 ALA HA . 17383 1 175 . 1 1 37 37 ALA CA C 13 53.975 . . 1 . . . . 65 ALA CA . 17383 1 176 . 1 1 37 37 ALA CB C 13 16.705 . . 1 . . . . 65 ALA CB . 17383 1 177 . 1 1 37 37 ALA N N 15 121.088 . . 1 . . . . 65 ALA N . 17383 1 178 . 1 1 38 38 SER H H 1 8.131 . . 1 . . . . 66 SER HN . 17383 1 179 . 1 1 38 38 SER HA H 1 4.214 . . 1 . . . . 66 SER HA . 17383 1 180 . 1 1 38 38 SER CA C 13 60.741 . . 1 . . . . 66 SER CA . 17383 1 181 . 1 1 38 38 SER CB C 13 62.814 . . 1 . . . . 66 SER CB . 17383 1 182 . 1 1 38 38 SER N N 15 117.192 . . 1 . . . . 66 SER N . 17383 1 183 . 1 1 39 39 ARG H H 1 8.425 . . 1 . . . . 67 ARG HN . 17383 1 184 . 1 1 39 39 ARG HA H 1 4.514 . . 1 . . . . 67 ARG HA . 17383 1 185 . 1 1 39 39 ARG CA C 13 56.361 . . 1 . . . . 67 ARG CA . 17383 1 186 . 1 1 39 39 ARG CB C 13 30.086 . . 1 . . . . 67 ARG CB . 17383 1 187 . 1 1 39 39 ARG N N 15 123.723 . . 1 . . . . 67 ARG N . 17383 1 188 . 1 1 40 40 LEU H H 1 8.555 . . 1 . . . . 68 LEU HN . 17383 1 189 . 1 1 40 40 LEU HA H 1 4.712 . . 1 . . . . 68 LEU HA . 17383 1 190 . 1 1 40 40 LEU CA C 13 52.718 . . 1 . . . . 68 LEU CA . 17383 1 191 . 1 1 40 40 LEU CB C 13 43.474 . . 1 . . . . 68 LEU CB . 17383 1 192 . 1 1 40 40 LEU N N 15 129.550 . . 1 . . . . 68 LEU N . 17383 1 193 . 1 1 41 41 THR H H 1 7.544 . . 1 . . . . 69 THR HN . 17383 1 194 . 1 1 41 41 THR HA H 1 4.551 . . 1 . . . . 69 THR HA . 17383 1 195 . 1 1 41 41 THR CA C 13 60.455 . . 1 . . . . 69 THR CA . 17383 1 196 . 1 1 41 41 THR CB C 13 70.951 . . 1 . . . . 69 THR CB . 17383 1 197 . 1 1 41 41 THR N N 15 108.645 . . 1 . . . . 69 THR N . 17383 1 198 . 1 1 42 42 SER H H 1 8.934 . . 1 . . . . 70 SER HN . 17383 1 199 . 1 1 42 42 SER HA H 1 4.139 . . 1 . . . . 70 SER HA . 17383 1 200 . 1 1 42 42 SER CA C 13 61.501 . . 1 . . . . 70 SER CA . 17383 1 201 . 1 1 42 42 SER CB C 13 62.535 . . 1 . . . . 70 SER CB . 17383 1 202 . 1 1 42 42 SER N N 15 117.320 . . 1 . . . . 70 SER N . 17383 1 203 . 1 1 43 43 ASP H H 1 8.354 . . 1 . . . . 71 ASP HN . 17383 1 204 . 1 1 43 43 ASP HA H 1 4.589 . . 1 . . . . 71 ASP HA . 17383 1 205 . 1 1 43 43 ASP CA C 13 55.178 . . 1 . . . . 71 ASP CA . 17383 1 206 . 1 1 43 43 ASP CB C 13 40.374 . . 1 . . . . 71 ASP CB . 17383 1 207 . 1 1 43 43 ASP N N 15 117.899 . . 1 . . . . 71 ASP N . 17383 1 208 . 1 1 44 44 GLY H H 1 7.715 . . 1 . . . . 72 GLY HN . 17383 1 209 . 1 1 44 44 GLY HA2 H 1 3.714 . . 2 . . . . 72 GLY HA2 . 17383 1 210 . 1 1 44 44 GLY HA3 H 1 4.278 . . 2 . . . . 72 GLY HA3 . 17383 1 211 . 1 1 44 44 GLY CA C 13 45.266 . . 1 . . . . 72 GLY CA . 17383 1 212 . 1 1 44 44 GLY N N 15 106.453 . . 1 . . . . 72 GLY N . 17383 1 213 . 1 1 45 45 LEU H H 1 7.702 . . 1 . . . . 73 LEU HN . 17383 1 214 . 1 1 45 45 LEU HA H 1 4.026 . . 1 . . . . 73 LEU HA . 17383 1 215 . 1 1 45 45 LEU CA C 13 59.430 . . 1 . . . . 73 LEU CA . 17383 1 216 . 1 1 45 45 LEU CB C 13 41.957 . . 1 . . . . 73 LEU CB . 17383 1 217 . 1 1 45 45 LEU N N 15 123.902 . . 1 . . . . 73 LEU N . 17383 1 218 . 1 1 46 46 ALA H H 1 8.732 . . 1 . . . . 74 ALA HN . 17383 1 219 . 1 1 46 46 ALA HA H 1 4.289 . . 1 . . . . 74 ALA HA . 17383 1 220 . 1 1 46 46 ALA CA C 13 56.229 . . 1 . . . . 74 ALA CA . 17383 1 221 . 1 1 46 46 ALA CB C 13 18.007 . . 1 . . . . 74 ALA CB . 17383 1 222 . 1 1 46 46 ALA N N 15 121.273 . . 1 . . . . 74 ALA N . 17383 1 223 . 1 1 47 47 ARG H H 1 8.287 . . 1 . . . . 75 ARG HN . 17383 1 224 . 1 1 47 47 ARG HA H 1 4.064 . . 1 . . . . 75 ARG HA . 17383 1 225 . 1 1 47 47 ARG CA C 13 58.343 . . 1 . . . . 75 ARG CA . 17383 1 226 . 1 1 47 47 ARG CB C 13 30.122 . . 1 . . . . 75 ARG CB . 17383 1 227 . 1 1 47 47 ARG N N 15 117.070 . . 1 . . . . 75 ARG N . 17383 1 228 . 1 1 48 48 HIS H H 1 7.799 . . 1 . . . . 76 HIS HN . 17383 1 229 . 1 1 48 48 HIS HA H 1 4.251 . . 1 . . . . 76 HIS HA . 17383 1 230 . 1 1 48 48 HIS CA C 13 59.690 . . 1 . . . . 76 HIS CA . 17383 1 231 . 1 1 48 48 HIS CB C 13 29.060 . . 1 . . . . 76 HIS CB . 17383 1 232 . 1 1 48 48 HIS N N 15 116.129 . . 1 . . . . 76 HIS N . 17383 1 233 . 1 1 49 49 VAL H H 1 8.869 . . 1 . . . . 77 VAL HN . 17383 1 234 . 1 1 49 49 VAL HA H 1 3.576 . . 1 . . . . 77 VAL HA . 17383 1 235 . 1 1 49 49 VAL HB H 1 2.263 . . 1 . . . . 77 VAL HB . 17383 1 236 . 1 1 49 49 VAL CA C 13 67.776 . . 1 . . . . 77 VAL CA . 17383 1 237 . 1 1 49 49 VAL CB C 13 32.400 . . 1 . . . . 77 VAL CB . 17383 1 238 . 1 1 49 49 VAL N N 15 119.033 . . 1 . . . . 77 VAL N . 17383 1 239 . 1 1 50 50 THR H H 1 7.723 . . 1 . . . . 78 THR HN . 17383 1 240 . 1 1 50 50 THR HA H 1 3.870 . . 1 . . . . 78 THR HA . 17383 1 241 . 1 1 50 50 THR CA C 13 65.714 . . 1 . . . . 78 THR CA . 17383 1 242 . 1 1 50 50 THR CB C 13 69.058 . . 1 . . . . 78 THR CB . 17383 1 243 . 1 1 50 50 THR N N 15 110.079 . . 1 . . . . 78 THR N . 17383 1 244 . 1 1 51 51 GLN H H 1 7.017 . . 1 . . . . 79 GLN HN . 17383 1 245 . 1 1 51 51 GLN HA H 1 4.476 . . 1 . . . . 79 GLN HA . 17383 1 246 . 1 1 51 51 GLN CA C 13 54.277 . . 1 . . . . 79 GLN CA . 17383 1 247 . 1 1 51 51 GLN CB C 13 29.278 . . 1 . . . . 79 GLN CB . 17383 1 248 . 1 1 51 51 GLN N N 15 116.322 . . 1 . . . . 79 GLN N . 17383 1 249 . 1 1 52 52 CYS H H 1 7.253 . . 1 . . . . 80 CYS HN . 17383 1 250 . 1 1 52 52 CYS HA H 1 3.973 . . 1 . . . . 80 CYS HA . 17383 1 251 . 1 1 52 52 CYS CA C 13 58.624 . . 1 . . . . 80 CYS CA . 17383 1 252 . 1 1 52 52 CYS N N 15 127.046 . . 1 . . . . 80 CYS N . 17383 1 253 . 1 1 53 53 PRO HA H 1 4.326 . . 1 . . . . 81 PRO HA . 17383 1 254 . 1 1 53 53 PRO CA C 13 65.023 . . 1 . . . . 81 PRO CA . 17383 1 255 . 1 1 54 54 LYS H H 1 8.163 . . 1 . . . . 82 LYS HN . 17383 1 256 . 1 1 54 54 LYS HA H 1 4.289 . . 1 . . . . 82 LYS HA . 17383 1 257 . 1 1 54 54 LYS CA C 13 56.558 . . 1 . . . . 82 LYS CA . 17383 1 258 . 1 1 54 54 LYS CB C 13 32.063 . . 1 . . . . 82 LYS CB . 17383 1 259 . 1 1 54 54 LYS N N 15 117.973 . . 1 . . . . 82 LYS N . 17383 1 260 . 1 1 55 55 ARG H H 1 7.152 . . 1 . . . . 83 ARG HN . 17383 1 261 . 1 1 55 55 ARG HA H 1 3.089 . . 1 . . . . 83 ARG HA . 17383 1 262 . 1 1 55 55 ARG CA C 13 59.477 . . 1 . . . . 83 ARG CA . 17383 1 263 . 1 1 55 55 ARG CB C 13 29.781 . . 1 . . . . 83 ARG CB . 17383 1 264 . 1 1 55 55 ARG N N 15 123.340 . . 1 . . . . 83 ARG N . 17383 1 265 . 1 1 56 56 LYS H H 1 7.499 . . 1 . . . . 84 LYS HN . 17383 1 266 . 1 1 56 56 LYS HA H 1 3.764 . . 1 . . . . 84 LYS HA . 17383 1 267 . 1 1 56 56 LYS CA C 13 59.641 . . 1 . . . . 84 LYS CA . 17383 1 268 . 1 1 56 56 LYS CB C 13 31.826 . . 1 . . . . 84 LYS CB . 17383 1 269 . 1 1 56 56 LYS N N 15 118.510 . . 1 . . . . 84 LYS N . 17383 1 270 . 1 1 57 57 GLU H H 1 7.698 . . 1 . . . . 85 GLU HN . 17383 1 271 . 1 1 57 57 GLU HA H 1 4.345 . . 1 . . . . 85 GLU HA . 17383 1 272 . 1 1 57 57 GLU CA C 13 59.048 . . 1 . . . . 85 GLU CA . 17383 1 273 . 1 1 57 57 GLU CB C 13 30.156 . . 1 . . . . 85 GLU CB . 17383 1 274 . 1 1 57 57 GLU N N 15 116.424 . . 1 . . . . 85 GLU N . 17383 1 275 . 1 1 58 58 LYS H H 1 7.906 . . 1 . . . . 86 LYS HN . 17383 1 276 . 1 1 58 58 LYS HA H 1 4.289 . . 1 . . . . 86 LYS HA . 17383 1 277 . 1 1 58 58 LYS CA C 13 57.794 . . 1 . . . . 86 LYS CA . 17383 1 278 . 1 1 58 58 LYS CB C 13 30.924 . . 1 . . . . 86 LYS CB . 17383 1 279 . 1 1 58 58 LYS N N 15 120.976 . . 1 . . . . 86 LYS N . 17383 1 280 . 1 1 59 59 VAL H H 1 8.491 . . 1 . . . . 87 VAL HN . 17383 1 281 . 1 1 59 59 VAL HA H 1 3.651 . . 1 . . . . 87 VAL HA . 17383 1 282 . 1 1 59 59 VAL HB H 1 2.113 . . 1 . . . . 87 VAL HB . 17383 1 283 . 1 1 59 59 VAL CA C 13 66.372 . . 1 . . . . 87 VAL CA . 17383 1 284 . 1 1 59 59 VAL CB C 13 31.782 . . 1 . . . . 87 VAL CB . 17383 1 285 . 1 1 59 59 VAL N N 15 121.284 . . 1 . . . . 87 VAL N . 17383 1 286 . 1 1 60 60 GLU H H 1 8.144 . . 1 . . . . 88 GLU HN . 17383 1 287 . 1 1 60 60 GLU HA H 1 4.064 . . 1 . . . . 88 GLU HA . 17383 1 288 . 1 1 60 60 GLU CA C 13 59.269 . . 1 . . . . 88 GLU CA . 17383 1 289 . 1 1 60 60 GLU CB C 13 29.217 . . 1 . . . . 88 GLU CB . 17383 1 290 . 1 1 60 60 GLU N N 15 120.018 . . 1 . . . . 88 GLU N . 17383 1 291 . 1 1 61 61 GLU H H 1 7.976 . . 1 . . . . 89 GLU HN . 17383 1 292 . 1 1 61 61 GLU HA H 1 4.139 . . 1 . . . . 89 GLU HA . 17383 1 293 . 1 1 61 61 GLU CA C 13 58.888 . . 1 . . . . 89 GLU CA . 17383 1 294 . 1 1 61 61 GLU CB C 13 30.041 . . 1 . . . . 89 GLU CB . 17383 1 295 . 1 1 61 61 GLU N N 15 119.297 . . 1 . . . . 89 GLU N . 17383 1 296 . 1 1 62 62 THR H H 1 7.816 . . 1 . . . . 90 THR HN . 17383 1 297 . 1 1 62 62 THR HA H 1 4.326 . . 1 . . . . 90 THR HA . 17383 1 298 . 1 1 62 62 THR HB H 1 4.176 . . 1 . . . . 90 THR HB . 17383 1 299 . 1 1 62 62 THR CA C 13 65.117 . . 1 . . . . 90 THR CA . 17383 1 300 . 1 1 62 62 THR CB C 13 69.298 . . 1 . . . . 90 THR CB . 17383 1 301 . 1 1 62 62 THR N N 15 112.852 . . 1 . . . . 90 THR N . 17383 1 302 . 1 1 63 63 GLU H H 1 7.925 . . 1 . . . . 91 GLU HN . 17383 1 303 . 1 1 63 63 GLU HA H 1 4.101 . . 1 . . . . 91 GLU HA . 17383 1 304 . 1 1 63 63 GLU CA C 13 58.274 . . 1 . . . . 91 GLU CA . 17383 1 305 . 1 1 63 63 GLU CB C 13 29.733 . . 1 . . . . 91 GLU CB . 17383 1 306 . 1 1 63 63 GLU N N 15 121.224 . . 1 . . . . 91 GLU N . 17383 1 307 . 1 1 64 64 LEU H H 1 7.806 . . 1 . . . . 92 LEU HN . 17383 1 308 . 1 1 64 64 LEU HA H 1 4.139 . . 1 . . . . 92 LEU HA . 17383 1 309 . 1 1 64 64 LEU CA C 13 56.862 . . 1 . . . . 92 LEU CA . 17383 1 310 . 1 1 64 64 LEU CB C 13 41.952 . . 1 . . . . 92 LEU CB . 17383 1 311 . 1 1 64 64 LEU N N 15 120.317 . . 1 . . . . 92 LEU N . 17383 1 312 . 1 1 65 65 TYR H H 1 7.782 . . 1 . . . . 93 TYR HN . 17383 1 313 . 1 1 65 65 TYR HA H 1 4.364 . . 1 . . . . 93 TYR HA . 17383 1 314 . 1 1 65 65 TYR CA C 13 59.157 . . 1 . . . . 93 TYR CA . 17383 1 315 . 1 1 65 65 TYR CB C 13 38.141 . . 1 . . . . 93 TYR CB . 17383 1 316 . 1 1 65 65 TYR N N 15 118.117 . . 1 . . . . 93 TYR N . 17383 1 317 . 1 1 66 66 LEU H H 1 7.880 . . 1 . . . . 94 LEU HN . 17383 1 318 . 1 1 66 66 LEU HA H 1 4.176 . . 1 . . . . 94 LEU HA . 17383 1 319 . 1 1 66 66 LEU CA C 13 56.315 . . 1 . . . . 94 LEU CA . 17383 1 320 . 1 1 66 66 LEU CB C 13 42.259 . . 1 . . . . 94 LEU CB . 17383 1 321 . 1 1 66 66 LEU N N 15 120.907 . . 1 . . . . 94 LEU N . 17383 1 322 . 1 1 67 67 ASN H H 1 8.079 . . 1 . . . . 95 ASN HN . 17383 1 323 . 1 1 67 67 ASN HA H 1 4.626 . . 1 . . . . 95 ASN HA . 17383 1 324 . 1 1 67 67 ASN CA C 13 53.874 . . 1 . . . . 95 ASN CA . 17383 1 325 . 1 1 67 67 ASN CB C 13 38.588 . . 1 . . . . 95 ASN CB . 17383 1 326 . 1 1 67 67 ASN N N 15 117.450 . . 1 . . . . 95 ASN N . 17383 1 327 . 1 1 68 68 LEU H H 1 7.946 . . 1 . . . . 96 LEU HN . 17383 1 328 . 1 1 68 68 LEU HA H 1 4.251 . . 1 . . . . 96 LEU HA . 17383 1 329 . 1 1 68 68 LEU CA C 13 55.975 . . 1 . . . . 96 LEU CA . 17383 1 330 . 1 1 68 68 LEU CB C 13 42.263 . . 1 . . . . 96 LEU CB . 17383 1 331 . 1 1 68 68 LEU N N 15 121.130 . . 1 . . . . 96 LEU N . 17383 1 332 . 1 1 69 69 GLU H H 1 8.127 . . 1 . . . . 97 GLU HN . 17383 1 333 . 1 1 69 69 GLU HA H 1 4.176 . . 1 . . . . 97 GLU HA . 17383 1 334 . 1 1 69 69 GLU CA C 13 56.969 . . 1 . . . . 97 GLU CA . 17383 1 335 . 1 1 69 69 GLU CB C 13 29.997 . . 1 . . . . 97 GLU CB . 17383 1 336 . 1 1 69 69 GLU N N 15 119.590 . . 1 . . . . 97 GLU N . 17383 1 337 . 1 1 70 70 ARG H H 1 7.950 . . 1 . . . . 98 ARG HN . 17383 1 338 . 1 1 70 70 ARG HA H 1 4.251 . . 1 . . . . 98 ARG HA . 17383 1 339 . 1 1 70 70 ARG CA C 13 56.022 . . 1 . . . . 98 ARG CA . 17383 1 340 . 1 1 70 70 ARG CB C 13 30.536 . . 1 . . . . 98 ARG CB . 17383 1 341 . 1 1 70 70 ARG N N 15 120.021 . . 1 . . . . 98 ARG N . 17383 1 342 . 1 1 71 71 ILE H H 1 7.976 . . 1 . . . . 99 ILE HN . 17383 1 343 . 1 1 71 71 ILE CA C 13 58.954 . . 1 . . . . 99 ILE CA . 17383 1 344 . 1 1 71 71 ILE CB C 13 38.288 . . 1 . . . . 99 ILE CB . 17383 1 345 . 1 1 71 71 ILE N N 15 122.825 . . 1 . . . . 99 ILE N . 17383 1 346 . 1 1 72 72 PRO HA H 1 4.364 . . 1 . . . . 100 PRO HA . 17383 1 347 . 1 1 72 72 PRO CA C 13 63.604 . . 1 . . . . 100 PRO CA . 17383 1 348 . 1 1 72 72 PRO CB C 13 31.793 . . 1 . . . . 100 PRO CB . 17383 1 349 . 1 1 73 73 TRP H H 1 7.849 . . 1 . . . . 101 TRP HN . 17383 1 350 . 1 1 73 73 TRP HA H 1 4.626 . . 1 . . . . 101 TRP HA . 17383 1 351 . 1 1 73 73 TRP CA C 13 57.052 . . 1 . . . . 101 TRP CA . 17383 1 352 . 1 1 73 73 TRP CB C 13 29.368 . . 1 . . . . 101 TRP CB . 17383 1 353 . 1 1 73 73 TRP N N 15 120.483 . . 1 . . . . 101 TRP N . 17383 1 354 . 1 1 74 74 VAL H H 1 7.690 . . 1 . . . . 102 VAL HN . 17383 1 355 . 1 1 74 74 VAL HA H 1 3.989 . . 1 . . . . 102 VAL HA . 17383 1 356 . 1 1 74 74 VAL HB H 1 1.888 . . 1 . . . . 102 VAL HB . 17383 1 357 . 1 1 74 74 VAL CA C 13 62.197 . . 1 . . . . 102 VAL CA . 17383 1 358 . 1 1 74 74 VAL N N 15 122.073 . . 1 . . . . 102 VAL N . 17383 1 359 . 1 1 75 75 VAL H H 1 8.068 . . 1 . . . . 103 VAL HN . 17383 1 360 . 1 1 75 75 VAL HA H 1 3.951 . . 1 . . . . 103 VAL HA . 17383 1 361 . 1 1 75 75 VAL HB H 1 1.963 . . 1 . . . . 103 VAL HB . 17383 1 362 . 1 1 75 75 VAL CA C 13 62.279 . . 1 . . . . 103 VAL CA . 17383 1 363 . 1 1 75 75 VAL CB C 13 32.627 . . 1 . . . . 103 VAL CB . 17383 1 364 . 1 1 75 75 VAL N N 15 124.564 . . 1 . . . . 103 VAL N . 17383 1 365 . 1 1 76 76 ARG H H 1 8.299 . . 1 . . . . 104 ARG HN . 17383 1 366 . 1 1 76 76 ARG HA H 1 4.326 . . 1 . . . . 104 ARG HA . 17383 1 367 . 1 1 76 76 ARG CA C 13 55.977 . . 1 . . . . 104 ARG CA . 17383 1 368 . 1 1 76 76 ARG CB C 13 30.803 . . 1 . . . . 104 ARG CB . 17383 1 369 . 1 1 76 76 ARG N N 15 126.441 . . 1 . . . . 104 ARG N . 17383 1 370 . 1 1 77 77 LYS H H 1 7.967 . . 1 . . . . 105 LYS HN . 17383 1 371 . 1 1 77 77 LYS CA C 13 57.824 . . 1 . . . . 105 LYS CA . 17383 1 372 . 1 1 77 77 LYS CB C 13 33.685 . . 1 . . . . 105 LYS CB . 17383 1 373 . 1 1 77 77 LYS N N 15 128.702 . . 1 . . . . 105 LYS N . 17383 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17383 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 2.00E+07 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 9 '2D 1H-15N HeteroNuclear NOE' . . . 17383 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 GLU N N 15 . 1 1 2 2 GLU H H 1 0.314885 0.007791 . . . 30 GLU N . 30 GLU H 17383 1 2 . 1 1 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 0.337778 0.005238 . . . 31 LEU N . 31 LEU H 17383 1 3 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.397146 0.005006 . . . 32 LYS N . 32 LYS H 17383 1 4 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 0.558482 0.007782 . . . 34 GLN N . 34 GLN H 17383 1 5 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.671959 0.008726 . . . 35 THR N . 35 THR H 17383 1 6 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.818975 0.016732 . . . 36 CYS N . 36 CYS H 17383 1 7 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.778902 0.009333 . . . 37 THR N . 37 THR H 17383 1 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.730622 0.011674 . . . 38 ILE N . 38 ILE H 17383 1 9 . 1 1 11 11 CYS N N 15 . 1 1 11 11 CYS H H 1 0.791074 0.013573 . . . 39 CYS N . 39 CYS H 17383 1 10 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.761765 0.013422 . . . 40 GLU N . 40 GLU H 17383 1 11 . 1 1 13 13 THR N N 15 . 1 1 13 13 THR H H 1 0.779868 0.015543 . . . 41 THR N . 41 THR H 17383 1 12 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 0.736633 0.029155 . . . 44 VAL N . 44 VAL H 17383 1 13 . 1 1 17 17 ASN N N 15 . 1 1 17 17 ASN H H 1 0.811933 0.014242 . . . 45 ASN N . 45 ASN H 17383 1 14 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.728276 0.01076 . . . 47 ILE N . 47 ILE H 17383 1 15 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.76649 0.010817 . . . 48 ASP N . 48 ASP H 17383 1 16 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.814764 0.01176 . . . 49 ALA N . 49 ALA H 17383 1 17 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.773142 0.010276 . . . 50 GLU N . 50 GLU H 17383 1 18 . 1 1 23 23 MET N N 15 . 1 1 23 23 MET H H 1 0.797691 0.012848 . . . 51 MET N . 51 MET H 17383 1 19 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.816631 0.014389 . . . 53 ASP N . 53 ASP H 17383 1 20 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.822705 0.013212 . . . 54 LEU N . 54 LEU H 17383 1 21 . 1 1 27 27 ASN N N 15 . 1 1 27 27 ASN H H 1 0.773483 0.012679 . . . 55 ASN N . 55 ASN H 17383 1 22 . 1 1 28 28 CYS N N 15 . 1 1 28 28 CYS H H 1 0.779951 0.017274 . . . 56 CYS N . 56 CYS H 17383 1 23 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.771414 0.01183 . . . 57 SER N . 57 SER H 17383 1 24 . 1 1 30 30 TYR N N 15 . 1 1 30 30 TYR H H 1 0.780715 0.01268 . . . 58 TYR N . 58 TYR H 17383 1 25 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.72397 0.014195 . . . 59 ASN N . 59 ASN H 17383 1 26 . 1 1 32 32 ILE N N 15 . 1 1 32 32 ILE H H 1 0.78879 0.010844 . . . 60 ILE N . 60 ILE H 17383 1 27 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.842718 0.013762 . . . 61 CYS N . 61 CYS H 17383 1 28 . 1 1 35 35 TYR N N 15 . 1 1 35 35 TYR H H 1 0.816215 0.013358 . . . 63 TYR N . 63 TYR H 17383 1 29 . 1 1 36 36 CYS N N 15 . 1 1 36 36 CYS H H 1 0.836264 0.011898 . . . 64 CYS N . 64 CYS H 17383 1 30 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.81586 0.011043 . . . 65 ALA N . 65 ALA H 17383 1 31 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.817122 0.009395 . . . 66 SER N . 66 SER H 17383 1 32 . 1 1 39 39 ARG N N 15 . 1 1 39 39 ARG H H 1 0.79502 0.008619 . . . 67 ARG N . 67 ARG H 17383 1 33 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.759687 0.012027 . . . 68 LEU N . 68 LEU H 17383 1 34 . 1 1 41 41 THR N N 15 . 1 1 41 41 THR H H 1 0.751378 0.013473 . . . 69 THR N . 69 THR H 17383 1 35 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.674545 0.020752 . . . 71 ASP N . 71 ASP H 17383 1 36 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.725566 0.011542 . . . 72 GLY N . 72 GLY H 17383 1 37 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.823391 0.014815 . . . 73 LEU N . 73 LEU H 17383 1 38 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.75771 0.012877 . . . 74 ALA N . 74 ALA H 17383 1 39 . 1 1 47 47 ARG N N 15 . 1 1 47 47 ARG H H 1 0.735292 0.012662 . . . 75 ARG N . 75 ARG H 17383 1 40 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.806306 0.009634 . . . 76 HIS N . 76 HIS H 17383 1 41 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.824354 0.018479 . . . 77 VAL N . 77 VAL H 17383 1 42 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.770478 0.011537 . . . 78 THR N . 78 THR H 17383 1 43 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.791531 0.011549 . . . 79 GLN N . 79 GLN H 17383 1 44 . 1 1 52 52 CYS N N 15 . 1 1 52 52 CYS H H 1 0.793321 0.007436 . . . 80 CYS N . 80 CYS H 17383 1 45 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.843007 0.011807 . . . 82 LYS N . 82 LYS H 17383 1 46 . 1 1 55 55 ARG N N 15 . 1 1 55 55 ARG H H 1 0.839926 0.014041 . . . 83 ARG N . 83 ARG H 17383 1 47 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.757106 0.014241 . . . 84 LYS N . 84 LYS H 17383 1 48 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.814679 0.017352 . . . 85 GLU N . 85 GLU H 17383 1 49 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.77497 0.012919 . . . 86 LYS N . 86 LYS H 17383 1 50 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.765967 0.009342 . . . 87 VAL N . 87 VAL H 17383 1 51 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.734194 0.012866 . . . 88 GLU N . 88 GLU H 17383 1 52 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.70307 0.012823 . . . 89 GLU N . 89 GLU H 17383 1 53 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.723212 0.012905 . . . 90 THR N . 90 THR H 17383 1 54 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.811846 0.01424 . . . 91 GLU N . 91 GLU H 17383 1 55 . 1 1 64 64 LEU N N 15 . 1 1 64 64 LEU H H 1 0.193892 0.019365 . . . 92 LEU N . 92 LEU H 17383 1 56 . 1 1 65 65 TYR N N 15 . 1 1 65 65 TYR H H 1 0.653802 0.010594 . . . 93 TYR N . 93 TYR H 17383 1 57 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.597994 0.009817 . . . 94 LEU N . 94 LEU H 17383 1 58 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.541111 0.012202 . . . 95 ASN N . 95 ASN H 17383 1 59 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.551411 0.00749 . . . 96 LEU N . 96 LEU H 17383 1 60 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.484799 0.00736 . . . 97 GLU N . 97 GLU H 17383 1 61 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.486439 0.011045 . . . 98 ARG N . 98 ARG H 17383 1 62 . 1 1 71 71 ILE N N 15 . 1 1 71 71 ILE H H 1 0.495516 0.007756 . . . 99 ILE N . 99 ILE H 17383 1 63 . 1 1 73 73 TRP N N 15 . 1 1 73 73 TRP H H 1 0.552648 0.005686 . . . 101 TRP N . 101 TRP H 17383 1 64 . 1 1 74 74 VAL N N 15 . 1 1 74 74 VAL H H 1 0.380906 0.005748 . . . 102 VAL N . 102 VAL H 17383 1 65 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.303109 0.00482 . . . 103 VAL N . 103 VAL H 17383 1 66 . 1 1 76 76 ARG N N 15 . 1 1 76 76 ARG H H 1 0.149804 0.006955 . . . 104 ARG N . 104 ARG H 17383 1 67 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 -0.1513 -0.003044 . . . 105 LYS N . 105 LYS H 17383 1 stop_ save_