data_15364 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15364 _Entry.Title ; Solution Structure of Human Immunodificiency Virus Type-2 Nucleocapsid Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-05 _Entry.Accession_date 2007-07-05 _Entry.Last_release_date 2008-06-18 _Entry.Original_release_date 2008-06-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 T. Matsui T. . . 15364 2 Y. Kodera Y. . . 15364 3 T. Tanaka T. . . 15364 4 H. Endoh H. . . 15364 5 H. Tanaka H. . . 15364 6 E. Miyauchi E. . . 15364 7 H. Komatsu H. . . 15364 8 T. Kohno T. . . 15364 9 T. Maeda T. . . 15364 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 15364 'ZINC FINGER' 15364 'NUCLEOCAPSID PROTEIN, HIV-2' 15364 15364 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15364 heteronucl_NOEs 1 15364 heteronucl_T1_relaxation 1 15364 heteronucl_T2_relaxation 1 15364 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 163 15364 '15N chemical shifts' 54 15364 '1H chemical shifts' 300 15364 'heteronuclear NOE values' 45 15364 'T1 relaxation values' 46 15364 'T2 relaxation values' 46 15364 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 . . 2008-06-18 2007-07-05 original author . 15364 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1NC8 'NMR STRUCTURE OF THE HIV-2 NUCLEOCAPSID PROTEIN: FRAGMENT: RESIDUES 1-29' 15364 PDB 2DI2 'NMR STRUCTURE OF THE HIV-2 NUCLEOCAPSID PROTEIN N11A MUTANT (1NC8 MUTANT): FRAGMENT: RESIDUS 1-29' 15364 PDB 2E1X 'NMR STRUCTURE OF THE HIV-2 NUCLEOCAPSID PROTEIN: FRAGMENT: RESIDUES 23-49' 15364 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15364 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17202191 _Citation.Full_citation . _Citation.Title 'RNA recognition mechanism of the minimal active domain of the human immunodeficiency virus type-2 nucleocapsid protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 141 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 269 _Citation.Page_last 277 _Citation.Year 2007 _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 T. Matsui T. . . 15364 1 2 Y. Kodera Y. . . 15364 1 3 H. Endoh H. . . 15364 1 4 E. Miyauchi E. . . 15364 1 5 H. Komatsu H. . . 15364 1 6 K. Sato K. . . 15364 1 7 T. Tanaka T. . . 15364 1 8 T. Kohno T. . . 15364 1 9 T. Maeda T. . . 15364 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15364 _Assembly.ID 1 _Assembly.Name NCp8 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 NCp8 1 $Gag_polyprotein_(Pr55Gag) A . yes native no no . . . 15364 1 2 Zn1 2 $ZN B . no native no no . . . 15364 1 3 Zn2 2 $ZN C . no native no no . . . 15364 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 NCp8 1 CYS 9 9 SG . 2 Zn1 2 ZN 1 1 ZN . . 9 CYS SG . . . . ZN 15364 1 2 coordination single . 1 NCp8 1 CYS 12 12 SG . 2 Zn1 2 ZN 1 1 ZN . . 12 CYS SG . . . . ZN 15364 1 3 coordination single . 1 NCp8 1 HIS 17 17 NE2 . 2 Zn1 2 ZN 1 1 ZN . . 17 HIS NE2 . . . . ZN 15364 1 4 coordination single . 1 NCp8 1 CYS 22 22 SG . 2 Zn1 2 ZN 1 1 ZN . . 22 CYS SG . . . . ZN 15364 1 5 coordination single . 1 NCp8 1 CYS 30 30 SG . 3 Zn2 3 ZN 1 1 ZN . . 30 CYS SG . . . . ZN 15364 1 6 coordination single . 1 NCp8 1 CYS 33 33 SG . 3 Zn2 3 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 15364 1 7 coordination single . 1 NCp8 1 HIS 38 38 NG2 . 3 Zn2 3 ZN 1 1 ZN . . 38 HIS NG2 . . . . ZN 15364 1 8 coordination single . 1 NCp8 1 CYS 43 43 SG . 3 Zn2 3 ZN 1 1 ZN . . 43 CYS SG . . . . ZN 15364 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 38 38 HE2 . 38 HIS HE2 15364 1 . . 1 1 CYS 43 43 HG . 43 CYS HG 15364 1 . . 1 1 CYS 30 30 HG . 30 CYS HG 15364 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 15364 1 . . 1 1 HIS 17 17 HE2 . 17 HIS HE2 15364 1 . . 1 1 CYS 22 22 HG . 22 CYS HG 15364 1 . . 1 1 CYS 9 9 HG . 9 CYS HG 15364 1 . . 1 1 CYS 12 12 HG . 12 CYS HG 15364 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gag_polyprotein_(Pr55Gag) _Entity.Sf_category entity _Entity.Sf_framecode Gag_polyprotein_(Pr55Gag) _Entity.Entry_ID 15364 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gag_polyprotein_(Pr55Gag) _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 ; AQQRKVIRCWNCGKEGHSAR QCRAPRRQGCWKCGKTGHVM AKCPERQAG ; _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 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'CCHC-type 1, CCHC-type 2' _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 BMRB 15196 . Gag-Pol_polyprotein_(Pr160Gag-Pol) . . . . . 55.10 27 100.00 100.00 3.96e-09 . . . . 15364 1 2 no PDB 1NC8 . "High-Resolution Solution Nmr Structure Of The Minimal Active Domain Of The Human Immunodeficiency Virus Type-2 Nucleocapsid Pro" . . . . . 59.18 29 100.00 100.00 5.75e-10 . . . . 15364 1 3 no PDB 2E1X . "Nmr Structure Of The Hiv-2 Nucleocapsid Protein" . . . . . 55.10 27 100.00 100.00 3.96e-09 . . . . 15364 1 4 no PDB 2EC7 . "Solution Structure Of Human Immunodificiency Virus Type-2 Nucleocapsid Protein" . . . . . 100.00 49 100.00 100.00 4.01e-25 . . . . 15364 1 5 no PDB 2IWJ . "Solution Structure Of The Zn Complex Of Hiv-2 Ncp(23-49) Peptide, Encompassing Protein Cchc-Linker, Distal Cchc Zn- Binding Mot" . . . . . 55.10 27 100.00 100.00 3.96e-09 . . . . 15364 1 6 no GB AAA43932 . "gag protein [Human immunodeficiency virus 2]" . . . . . 100.00 522 100.00 100.00 4.30e-25 . . . . 15364 1 7 no GB AAQ99470 . "gag protein [Human immunodeficiency virus 2]" . . . . . 51.02 114 100.00 100.00 4.14e-08 . . . . 15364 1 8 no SP P18041 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 522 100.00 100.00 4.30e-25 . . . . 15364 1 9 no SP P18042 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1464 100.00 100.00 8.03e-25 . . . . 15364 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15364 1 AIDS SWS-KEYWORD 15364 1 'Capsid protein' SWS-KEYWORD 15364 1 'Gag polyprotein (Pr55Gag) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Spacer peptide p1; p6-gag]' RCSB_NAME 15364 1 'Host-virus interaction' SWS-KEYWORD 15364 1 Lipoprotein SWS-KEYWORD 15364 1 Membrane SWS-KEYWORD 15364 1 Metal-binding SWS-KEYWORD 15364 1 Myristate SWS-KEYWORD 15364 1 'Nucleocapsid Protein (NCp8)' . 15364 1 Repeat SWS-KEYWORD 15364 1 RNA-binding SWS-KEYWORD 15364 1 'Viral nucleoprotein' SWS-KEYWORD 15364 1 'Virion protein' SWS-KEYWORD 15364 1 Zinc SWS-KEYWORD 15364 1 Zinc-finger SWS-KEYWORD 15364 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 . ALA . 15364 1 2 . GLN . 15364 1 3 . GLN . 15364 1 4 . ARG . 15364 1 5 . LYS . 15364 1 6 . VAL . 15364 1 7 . ILE . 15364 1 8 . ARG . 15364 1 9 . CYS . 15364 1 10 . TRP . 15364 1 11 . ASN . 15364 1 12 . CYS . 15364 1 13 . GLY . 15364 1 14 . LYS . 15364 1 15 . GLU . 15364 1 16 . GLY . 15364 1 17 . HIS . 15364 1 18 . SER . 15364 1 19 . ALA . 15364 1 20 . ARG . 15364 1 21 . GLN . 15364 1 22 . CYS . 15364 1 23 . ARG . 15364 1 24 . ALA . 15364 1 25 . PRO . 15364 1 26 . ARG . 15364 1 27 . ARG . 15364 1 28 . GLN . 15364 1 29 . GLY . 15364 1 30 . CYS . 15364 1 31 . TRP . 15364 1 32 . LYS . 15364 1 33 . CYS . 15364 1 34 . GLY . 15364 1 35 . LYS . 15364 1 36 . THR . 15364 1 37 . GLY . 15364 1 38 . HIS . 15364 1 39 . VAL . 15364 1 40 . MET . 15364 1 41 . ALA . 15364 1 42 . LYS . 15364 1 43 . CYS . 15364 1 44 . PRO . 15364 1 45 . GLU . 15364 1 46 . ARG . 15364 1 47 . GLN . 15364 1 48 . ALA . 15364 1 49 . GLY . 15364 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 . ALA 1 1 15364 1 . GLN 2 2 15364 1 . GLN 3 3 15364 1 . ARG 4 4 15364 1 . LYS 5 5 15364 1 . VAL 6 6 15364 1 . ILE 7 7 15364 1 . ARG 8 8 15364 1 . CYS 9 9 15364 1 . TRP 10 10 15364 1 . ASN 11 11 15364 1 . CYS 12 12 15364 1 . GLY 13 13 15364 1 . LYS 14 14 15364 1 . GLU 15 15 15364 1 . GLY 16 16 15364 1 . HIS 17 17 15364 1 . SER 18 18 15364 1 . ALA 19 19 15364 1 . ARG 20 20 15364 1 . GLN 21 21 15364 1 . CYS 22 22 15364 1 . ARG 23 23 15364 1 . ALA 24 24 15364 1 . PRO 25 25 15364 1 . ARG 26 26 15364 1 . ARG 27 27 15364 1 . GLN 28 28 15364 1 . GLY 29 29 15364 1 . CYS 30 30 15364 1 . TRP 31 31 15364 1 . LYS 32 32 15364 1 . CYS 33 33 15364 1 . GLY 34 34 15364 1 . LYS 35 35 15364 1 . THR 36 36 15364 1 . GLY 37 37 15364 1 . HIS 38 38 15364 1 . VAL 39 39 15364 1 . MET 40 40 15364 1 . ALA 41 41 15364 1 . LYS 42 42 15364 1 . CYS 43 43 15364 1 . PRO 44 44 15364 1 . GLU 45 45 15364 1 . ARG 46 46 15364 1 . GLN 47 47 15364 1 . ALA 48 48 15364 1 . GLY 49 49 15364 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15364 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _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 . 15364 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 15364 _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 $Gag_polyprotein_(Pr55Gag) . . virus . 'Human immunodeficiency virus type-2' HIV-2 . . . . . . 'isolate Ghana-1 subtype A' . . . . . . . . . . . . . . . gag . 'isolate Ghana-1 subtype A' . . 15364 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 15364 _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 $Gag_polyprotein_(Pr55Gag) . 'recombinant technology' 'Escherichia coli' bacteria . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pTKK19 . . . . . . 15364 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 15364 _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 . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Jun 22 03:38:33 2007 ; _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 15364 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15364 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15364 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15364 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15364 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 . . . . . . . . . . . . . . . 15364 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15364 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5mM 13C,15N-labeled Protein; 3.2mM ZnCl2; 90% H2O, 10%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10%D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Gag polyprotein (Pr55Gag)' '[U-98% 13C; U-98% 15N]' . . 1 $Gag_polyprotein_(Pr55Gag) . . 1.5 . . mM . . . . 15364 1 2 'ZINC ION' 'natural abundance' . . . . . . 3.2 . . mM . . . . 15364 1 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 15364 1 4 H2O . . . . . . . 90 . . % . . . . 15364 1 5 D2O . . . . . . . 10 . . % . . . . 15364 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15364 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5mM Protein; 3.2mM ZnCl2; 99.96% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.96% 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 'Gag polyprotein (Pr55Gag)' 'natural abundance' . . 1 $Gag_polyprotein_(Pr55Gag) . . 1.5 . . mM . . . . 15364 2 2 'ZINC ION' 'natural abundance' . . . . . . 3.2 . . mM . . . . 15364 2 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 15364 2 4 D2O . . . . . . . 99.6 . . % . . . . 15364 2 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 15364 _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 5.8 . pH 15364 1 temperature 288 . K 15364 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 15364 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 15364 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15364 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 15364 _Software.ID 2 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 15364 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15364 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15364 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15364 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15364 3 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 15364 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_500 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 500 _NMR_spectrometer_list.Entry_ID 15364 _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 DMX . 500 . . . 15364 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 15364 _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_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 3 '2D NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 4 HNHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 5 '2D TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 12 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 13 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 14 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 15 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 16 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 17 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 18 '15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 19 '15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 20 '{1H}-15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15364 1 stop_ 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 15364 _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 internal indirect 0.25144953 . . . . . . . . . 15364 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15364 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15364 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 15364 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '2D 1H-15N HSQC' . . . 15364 1 2 '2D 1H-13C HSQC' . . . 15364 1 3 '2D NOESY' . . . 15364 1 4 '2D TOCSY' . . . 15364 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 $ANSIG . . 15364 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 ALA HA H 1 4.1 0.05 . 1 . . . . 1 ALA HA . 15364 1 2 . 1 1 1 1 ALA HB1 H 1 1.5 0.05 . 1 . . . . 1 ALA HB . 15364 1 3 . 1 1 1 1 ALA HB2 H 1 1.5 0.05 . 1 . . . . 1 ALA HB . 15364 1 4 . 1 1 1 1 ALA HB3 H 1 1.5 0.05 . 1 . . . . 1 ALA HB . 15364 1 5 . 1 1 1 1 ALA CA C 13 51.7 0.5 . 1 . . . . 1 ALA CA . 15364 1 6 . 1 1 1 1 ALA CB C 13 19.4 0.5 . 1 . . . . 1 ALA CB . 15364 1 7 . 1 1 2 2 GLN H H 1 8.76 0.05 . 1 . . . . 2 GLN H . 15364 1 8 . 1 1 2 2 GLN N N 15 120.1 0.2 . 1 . . . . 2 GLN N . 15364 1 9 . 1 1 3 3 GLN H H 1 8.72 0.05 . 1 . . . . 3 GLN H . 15364 1 10 . 1 1 3 3 GLN HA H 1 4.33 0.05 . 1 . . . . 3 GLN HA . 15364 1 11 . 1 1 3 3 GLN HB2 H 1 1.97 0.05 . 2 . . . . 3 GLN HB2 . 15364 1 12 . 1 1 3 3 GLN HB3 H 1 2.05 0.05 . 2 . . . . 3 GLN HB3 . 15364 1 13 . 1 1 3 3 GLN HE21 H 1 6.95 0.05 . 2 . . . . 3 GLN HE21 . 15364 1 14 . 1 1 3 3 GLN HE22 H 1 6.95 0.05 . 2 . . . . 3 GLN HE22 . 15364 1 15 . 1 1 3 3 GLN HG2 H 1 2.36 0.05 . 2 . . . . 3 GLN HG2 . 15364 1 16 . 1 1 3 3 GLN HG3 H 1 2.36 0.05 . 2 . . . . 3 GLN HG3 . 15364 1 17 . 1 1 3 3 GLN CA C 13 55.7 0.5 . 1 . . . . 3 GLN CA . 15364 1 18 . 1 1 3 3 GLN N N 15 123.4 0.2 . 1 . . . . 3 GLN N . 15364 1 19 . 1 1 3 3 GLN NE2 N 15 112.8 0.2 . 1 . . . . 3 GLN NE2 . 15364 1 20 . 1 1 4 4 ARG H H 1 8.58 0.05 . 1 . . . . 4 ARG H . 15364 1 21 . 1 1 4 4 ARG HA H 1 4.28 0.05 . 1 . . . . 4 ARG HA . 15364 1 22 . 1 1 4 4 ARG HB2 H 1 1.75 0.05 . 2 . . . . 4 ARG HB2 . 15364 1 23 . 1 1 4 4 ARG HB3 H 1 1.75 0.05 . 2 . . . . 4 ARG HB3 . 15364 1 24 . 1 1 4 4 ARG HD2 H 1 3.17 0.05 . 2 . . . . 4 ARG HD2 . 15364 1 25 . 1 1 4 4 ARG HD3 H 1 3.17 0.05 . 2 . . . . 4 ARG HD3 . 15364 1 26 . 1 1 4 4 ARG HG2 H 1 1.59 0.05 . 2 . . . . 4 ARG HG2 . 15364 1 27 . 1 1 4 4 ARG HG3 H 1 1.59 0.05 . 2 . . . . 4 ARG HG3 . 15364 1 28 . 1 1 4 4 ARG CA C 13 56.2 0.5 . 1 . . . . 4 ARG CA . 15364 1 29 . 1 1 4 4 ARG CB C 13 30.9 0.5 . 1 . . . . 4 ARG CB . 15364 1 30 . 1 1 4 4 ARG CD C 13 43.3 0.5 . 1 . . . . 4 ARG CD . 15364 1 31 . 1 1 4 4 ARG N N 15 123.8 0.2 . 1 . . . . 4 ARG N . 15364 1 32 . 1 1 5 5 LYS H H 1 8.53 0.05 . 1 . . . . 5 LYS H . 15364 1 33 . 1 1 5 5 LYS HA H 1 4.31 0.05 . 1 . . . . 5 LYS HA . 15364 1 34 . 1 1 5 5 LYS HB2 H 1 1.73 0.05 . 2 . . . . 5 LYS HB2 . 15364 1 35 . 1 1 5 5 LYS HB3 H 1 1.73 0.05 . 2 . . . . 5 LYS HB3 . 15364 1 36 . 1 1 5 5 LYS HD2 H 1 1.68 0.05 . 2 . . . . 5 LYS HD2 . 15364 1 37 . 1 1 5 5 LYS HD3 H 1 1.68 0.05 . 2 . . . . 5 LYS HD3 . 15364 1 38 . 1 1 5 5 LYS HE2 H 1 2.97 0.05 . 2 . . . . 5 LYS HE2 . 15364 1 39 . 1 1 5 5 LYS HE3 H 1 2.97 0.05 . 2 . . . . 5 LYS HE3 . 15364 1 40 . 1 1 5 5 LYS HG2 H 1 1.35 0.05 . 2 . . . . 5 LYS HG2 . 15364 1 41 . 1 1 5 5 LYS HG3 H 1 1.42 0.05 . 2 . . . . 5 LYS HG3 . 15364 1 42 . 1 1 5 5 LYS C C 13 176.3 0.5 . 1 . . . . 5 LYS C . 15364 1 43 . 1 1 5 5 LYS CA C 13 56.2 0.5 . 1 . . . . 5 LYS CA . 15364 1 44 . 1 1 5 5 LYS CB C 13 33 0.5 . 1 . . . . 5 LYS CB . 15364 1 45 . 1 1 5 5 LYS CD C 13 29 0.5 . 1 . . . . 5 LYS CD . 15364 1 46 . 1 1 5 5 LYS CE C 13 42.2 0.5 . 1 . . . . 5 LYS CE . 15364 1 47 . 1 1 5 5 LYS CG C 13 24.8 0.5 . 1 . . . . 5 LYS CG . 15364 1 48 . 1 1 5 5 LYS N N 15 124.4 0.2 . 1 . . . . 5 LYS N . 15364 1 49 . 1 1 6 6 VAL H H 1 8.34 0.05 . 1 . . . . 6 VAL H . 15364 1 50 . 1 1 6 6 VAL HA H 1 4.09 0.05 . 1 . . . . 6 VAL HA . 15364 1 51 . 1 1 6 6 VAL HB H 1 1.91 0.05 . 1 . . . . 6 VAL HB . 15364 1 52 . 1 1 6 6 VAL HG11 H 1 0.82 0.05 . 2 . . . . 6 VAL HG1 . 15364 1 53 . 1 1 6 6 VAL HG12 H 1 0.82 0.05 . 2 . . . . 6 VAL HG1 . 15364 1 54 . 1 1 6 6 VAL HG13 H 1 0.82 0.05 . 2 . . . . 6 VAL HG1 . 15364 1 55 . 1 1 6 6 VAL HG21 H 1 0.88 0.05 . 2 . . . . 6 VAL HG2 . 15364 1 56 . 1 1 6 6 VAL HG22 H 1 0.88 0.05 . 2 . . . . 6 VAL HG2 . 15364 1 57 . 1 1 6 6 VAL HG23 H 1 0.88 0.05 . 2 . . . . 6 VAL HG2 . 15364 1 58 . 1 1 6 6 VAL C C 13 175.8 0.5 . 1 . . . . 6 VAL C . 15364 1 59 . 1 1 6 6 VAL CA C 13 62 0.5 . 1 . . . . 6 VAL CA . 15364 1 60 . 1 1 6 6 VAL CB C 13 33 0.5 . 1 . . . . 6 VAL CB . 15364 1 61 . 1 1 6 6 VAL CG1 C 13 20.9 0.5 . 2 . . . . 6 VAL CG1 . 15364 1 62 . 1 1 6 6 VAL CG2 C 13 20.9 0.5 . 2 . . . . 6 VAL CG2 . 15364 1 63 . 1 1 6 6 VAL N N 15 124 0.2 . 1 . . . . 6 VAL N . 15364 1 64 . 1 1 7 7 ILE H H 1 8.63 0.05 . 1 . . . . 7 ILE H . 15364 1 65 . 1 1 7 7 ILE HA H 1 4.09 0.05 . 1 . . . . 7 ILE HA . 15364 1 66 . 1 1 7 7 ILE HB H 1 1.62 0.05 . 1 . . . . 7 ILE HB . 15364 1 67 . 1 1 7 7 ILE HD11 H 1 0.77 0.05 . 1 . . . . 7 ILE HD1 . 15364 1 68 . 1 1 7 7 ILE HD12 H 1 0.77 0.05 . 1 . . . . 7 ILE HD1 . 15364 1 69 . 1 1 7 7 ILE HD13 H 1 0.77 0.05 . 1 . . . . 7 ILE HD1 . 15364 1 70 . 1 1 7 7 ILE HG12 H 1 1.07 0.05 . 2 . . . . 7 ILE HG12 . 15364 1 71 . 1 1 7 7 ILE HG13 H 1 0.67 0.05 . 2 . . . . 7 ILE HG13 . 15364 1 72 . 1 1 7 7 ILE HG21 H 1 1.34 0.05 . 1 . . . . 7 ILE HG2 . 15364 1 73 . 1 1 7 7 ILE HG22 H 1 1.34 0.05 . 1 . . . . 7 ILE HG2 . 15364 1 74 . 1 1 7 7 ILE HG23 H 1 1.34 0.05 . 1 . . . . 7 ILE HG2 . 15364 1 75 . 1 1 7 7 ILE C C 13 174.3 0.5 . 1 . . . . 7 ILE C . 15364 1 76 . 1 1 7 7 ILE CA C 13 60.5 0.5 . 1 . . . . 7 ILE CA . 15364 1 77 . 1 1 7 7 ILE CB C 13 38.8 0.5 . 1 . . . . 7 ILE CB . 15364 1 78 . 1 1 7 7 ILE CD1 C 13 12.9 0.5 . 1 . . . . 7 ILE CD1 . 15364 1 79 . 1 1 7 7 ILE CG1 C 13 27.2 0.5 . 1 . . . . 7 ILE CG1 . 15364 1 80 . 1 1 7 7 ILE CG2 C 13 16.8 0.5 . 1 . . . . 7 ILE CG2 . 15364 1 81 . 1 1 7 7 ILE N N 15 127.8 0.2 . 1 . . . . 7 ILE N . 15364 1 82 . 1 1 8 8 ARG H H 1 8.32 0.05 . 1 . . . . 8 ARG H . 15364 1 83 . 1 1 8 8 ARG HA H 1 4.5 0.05 . 1 . . . . 8 ARG HA . 15364 1 84 . 1 1 8 8 ARG HB2 H 1 1.43 0.05 . 2 . . . . 8 ARG HB2 . 15364 1 85 . 1 1 8 8 ARG HB3 H 1 1.43 0.05 . 2 . . . . 8 ARG HB3 . 15364 1 86 . 1 1 8 8 ARG HD2 H 1 2.96 0.05 . 2 . . . . 8 ARG HD2 . 15364 1 87 . 1 1 8 8 ARG HD3 H 1 3.01 0.05 . 2 . . . . 8 ARG HD3 . 15364 1 88 . 1 1 8 8 ARG HE H 1 7.18 0.2 . 1 . . . . 8 ARG HE . 15364 1 89 . 1 1 8 8 ARG HG2 H 1 1.15 0.05 . 2 . . . . 8 ARG HG2 . 15364 1 90 . 1 1 8 8 ARG HG3 H 1 1.15 0.05 . 2 . . . . 8 ARG HG3 . 15364 1 91 . 1 1 8 8 ARG C C 13 174.7 0.5 . 1 . . . . 8 ARG C . 15364 1 92 . 1 1 8 8 ARG CA C 13 54.4 0.5 . 1 . . . . 8 ARG CA . 15364 1 93 . 1 1 8 8 ARG CB C 13 32.8 0.5 . 1 . . . . 8 ARG CB . 15364 1 94 . 1 1 8 8 ARG CD C 13 42.9 0.5 . 1 . . . . 8 ARG CD . 15364 1 95 . 1 1 8 8 ARG CG C 13 27.5 0.5 . 1 . . . . 8 ARG CG . 15364 1 96 . 1 1 8 8 ARG N N 15 125.7 0.2 . 1 . . . . 8 ARG N . 15364 1 97 . 1 1 9 9 CYS H H 1 8.35 0.05 . 1 . . . . 9 CYS H . 15364 1 98 . 1 1 9 9 CYS HA H 1 4.07 0.05 . 1 . . . . 9 CYS HA . 15364 1 99 . 1 1 9 9 CYS HB2 H 1 1.82 0.05 . 1 . . . . 9 CYS HB2 . 15364 1 100 . 1 1 9 9 CYS HB3 H 1 2.74 0.05 . 1 . . . . 9 CYS HB3 . 15364 1 101 . 1 1 9 9 CYS C C 13 178.6 0.5 . 1 . . . . 9 CYS C . 15364 1 102 . 1 1 9 9 CYS CA C 13 59.6 0.5 . 1 . . . . 9 CYS CA . 15364 1 103 . 1 1 9 9 CYS CB C 13 30.1 0.5 . 1 . . . . 9 CYS CB . 15364 1 104 . 1 1 9 9 CYS N N 15 129.3 0.2 . 1 . . . . 9 CYS N . 15364 1 105 . 1 1 10 10 TRP H H 1 8.64 0.05 . 1 . . . . 10 TRP H . 15364 1 106 . 1 1 10 10 TRP HA H 1 4.47 0.05 . 1 . . . . 10 TRP HA . 15364 1 107 . 1 1 10 10 TRP HB2 H 1 3.28 0.05 . 2 . . . . 10 TRP HB2 . 15364 1 108 . 1 1 10 10 TRP HB3 H 1 3.38 0.05 . 2 . . . . 10 TRP HB3 . 15364 1 109 . 1 1 10 10 TRP HD1 H 1 7.26 0.05 . 1 . . . . 10 TRP HD1 . 15364 1 110 . 1 1 10 10 TRP HE1 H 1 10.01 0.05 . 1 . . . . 10 TRP HE1 . 15364 1 111 . 1 1 10 10 TRP C C 13 176.9 0.5 . 1 . . . . 10 TRP C . 15364 1 112 . 1 1 10 10 TRP CA C 13 59.2 0.5 . 1 . . . . 10 TRP CA . 15364 1 113 . 1 1 10 10 TRP CB C 13 29.8 0.5 . 1 . . . . 10 TRP CB . 15364 1 114 . 1 1 10 10 TRP N N 15 129.3 0.2 . 1 . . . . 10 TRP N . 15364 1 115 . 1 1 10 10 TRP NE1 N 15 129.4 0.2 . 1 . . . . 10 TRP NE1 . 15364 1 116 . 1 1 11 11 ASN H H 1 9.31 0.05 . 1 . . . . 11 ASN H . 15364 1 117 . 1 1 11 11 ASN HA H 1 4.4 0.05 . 1 . . . . 11 ASN HA . 15364 1 118 . 1 1 11 11 ASN HB2 H 1 2.16 0.05 . 2 . . . . 11 ASN HB2 . 15364 1 119 . 1 1 11 11 ASN HB3 H 1 3.06 0.05 . 2 . . . . 11 ASN HB3 . 15364 1 120 . 1 1 11 11 ASN HD21 H 1 6.73 0.05 . 2 . . . . 11 ASN HD21 . 15364 1 121 . 1 1 11 11 ASN HD22 H 1 8.45 0.05 . 2 . . . . 11 ASN HD22 . 15364 1 122 . 1 1 11 11 ASN C C 13 175.9 0.5 . 1 . . . . 11 ASN C . 15364 1 123 . 1 1 11 11 ASN CA C 13 57.3 0.5 . 1 . . . . 11 ASN CA . 15364 1 124 . 1 1 11 11 ASN CB C 13 39.9 0.5 . 1 . . . . 11 ASN CB . 15364 1 125 . 1 1 11 11 ASN N N 15 121.4 0.2 . 1 . . . . 11 ASN N . 15364 1 126 . 1 1 11 11 ASN ND2 N 15 118 0.2 . 1 . . . . 11 ASN ND2 . 15364 1 127 . 1 1 12 12 CYS H H 1 8.92 0.05 . 1 . . . . 12 CYS H . 15364 1 128 . 1 1 12 12 CYS HA H 1 4.92 0.05 . 1 . . . . 12 CYS HA . 15364 1 129 . 1 1 12 12 CYS HB2 H 1 2.45 0.05 . 1 . . . . 12 CYS HB2 . 15364 1 130 . 1 1 12 12 CYS HB3 H 1 3.25 0.05 . 1 . . . . 12 CYS HB3 . 15364 1 131 . 1 1 12 12 CYS C C 13 176.6 0.5 . 1 . . . . 12 CYS C . 15364 1 132 . 1 1 12 12 CYS CA C 13 58.6 0.5 . 1 . . . . 12 CYS CA . 15364 1 133 . 1 1 12 12 CYS CB C 13 32.3 0.5 . 1 . . . . 12 CYS CB . 15364 1 134 . 1 1 12 12 CYS N N 15 117.4 0.2 . 1 . . . . 12 CYS N . 15364 1 135 . 1 1 13 13 GLY H H 1 7.91 0.05 . 1 . . . . 13 GLY H . 15364 1 136 . 1 1 13 13 GLY HA2 H 1 3.67 0.05 . 2 . . . . 13 GLY HA2 . 15364 1 137 . 1 1 13 13 GLY HA3 H 1 3.96 0.05 . 2 . . . . 13 GLY HA3 . 15364 1 138 . 1 1 13 13 GLY C C 13 174.1 0.5 . 1 . . . . 13 GLY C . 15364 1 139 . 1 1 13 13 GLY CA C 13 46.1 0.5 . 1 . . . . 13 GLY CA . 15364 1 140 . 1 1 13 13 GLY N N 15 113.8 0.2 . 1 . . . . 13 GLY N . 15364 1 141 . 1 1 14 14 LYS H H 1 8.16 0.05 . 1 . . . . 14 LYS H . 15364 1 142 . 1 1 14 14 LYS HA H 1 4.39 0.05 . 1 . . . . 14 LYS HA . 15364 1 143 . 1 1 14 14 LYS HB2 H 1 1.78 0.05 . 2 . . . . 14 LYS HB2 . 15364 1 144 . 1 1 14 14 LYS HB3 H 1 1.89 0.05 . 2 . . . . 14 LYS HB3 . 15364 1 145 . 1 1 14 14 LYS HD2 H 1 1.74 0.05 . 2 . . . . 14 LYS HD2 . 15364 1 146 . 1 1 14 14 LYS HD3 H 1 1.74 0.05 . 2 . . . . 14 LYS HD3 . 15364 1 147 . 1 1 14 14 LYS HE2 H 1 3.02 0.05 . 2 . . . . 14 LYS HE2 . 15364 1 148 . 1 1 14 14 LYS HE3 H 1 3.02 0.05 . 2 . . . . 14 LYS HE3 . 15364 1 149 . 1 1 14 14 LYS HG2 H 1 1.45 0.05 . 2 . . . . 14 LYS HG2 . 15364 1 150 . 1 1 14 14 LYS HG3 H 1 1.6 0.05 . 2 . . . . 14 LYS HG3 . 15364 1 151 . 1 1 14 14 LYS C C 13 175.9 0.5 . 1 . . . . 14 LYS C . 15364 1 152 . 1 1 14 14 LYS CA C 13 56.2 0.5 . 1 . . . . 14 LYS CA . 15364 1 153 . 1 1 14 14 LYS CB C 13 33.8 0.5 . 1 . . . . 14 LYS CB . 15364 1 154 . 1 1 14 14 LYS CD C 13 28.9 0.5 . 1 . . . . 14 LYS CD . 15364 1 155 . 1 1 14 14 LYS CE C 13 42.5 0.5 . 1 . . . . 14 LYS CE . 15364 1 156 . 1 1 14 14 LYS CG C 13 25.9 0.5 . 1 . . . . 14 LYS CG . 15364 1 157 . 1 1 14 14 LYS N N 15 121.6 0.2 . 1 . . . . 14 LYS N . 15364 1 158 . 1 1 15 15 GLU H H 1 8.5 0.05 . 1 . . . . 15 GLU H . 15364 1 159 . 1 1 15 15 GLU HA H 1 4.61 0.05 . 1 . . . . 15 GLU HA . 15364 1 160 . 1 1 15 15 GLU HB2 H 1 1.9 0.05 . 2 . . . . 15 GLU HB2 . 15364 1 161 . 1 1 15 15 GLU HB3 H 1 1.9 0.05 . 2 . . . . 15 GLU HB3 . 15364 1 162 . 1 1 15 15 GLU HG2 H 1 2.07 0.05 . 2 . . . . 15 GLU HG2 . 15364 1 163 . 1 1 15 15 GLU HG3 H 1 2.29 0.05 . 2 . . . . 15 GLU HG3 . 15364 1 164 . 1 1 15 15 GLU C C 13 178.9 0.5 . 1 . . . . 15 GLU C . 15364 1 165 . 1 1 15 15 GLU CA C 13 56.1 0.5 . 1 . . . . 15 GLU CA . 15364 1 166 . 1 1 15 15 GLU CB C 13 30.9 0.5 . 1 . . . . 15 GLU CB . 15364 1 167 . 1 1 15 15 GLU CG C 13 36.9 0.5 . 1 . . . . 15 GLU CG . 15364 1 168 . 1 1 15 15 GLU N N 15 118.4 0.2 . 1 . . . . 15 GLU N . 15364 1 169 . 1 1 16 16 GLY H H 1 8.8 0.05 . 1 . . . . 16 GLY H . 15364 1 170 . 1 1 16 16 GLY HA2 H 1 3.69 0.05 . 2 . . . . 16 GLY HA2 . 15364 1 171 . 1 1 16 16 GLY HA3 H 1 4.48 0.05 . 2 . . . . 16 GLY HA3 . 15364 1 172 . 1 1 16 16 GLY C C 13 173.9 0.5 . 1 . . . . 16 GLY C . 15364 1 173 . 1 1 16 16 GLY CA C 13 45.7 0.5 . 1 . . . . 16 GLY CA . 15364 1 174 . 1 1 16 16 GLY N N 15 107.7 0.2 . 1 . . . . 16 GLY N . 15364 1 175 . 1 1 17 17 HIS H H 1 7.15 0.05 . 1 . . . . 17 HIS H . 15364 1 176 . 1 1 17 17 HIS HA H 1 4.7 0.05 . 1 . . . . 17 HIS HA . 15364 1 177 . 1 1 17 17 HIS HB2 H 1 3.14 0.05 . 2 . . . . 17 HIS HB2 . 15364 1 178 . 1 1 17 17 HIS HB3 H 1 3.14 0.05 . 2 . . . . 17 HIS HB3 . 15364 1 179 . 1 1 17 17 HIS HD2 H 1 7.05 0.05 . 1 . . . . 17 HIS HD2 . 15364 1 180 . 1 1 17 17 HIS C C 13 170.7 0.5 . 1 . . . . 17 HIS C . 15364 1 181 . 1 1 17 17 HIS CA C 13 55.4 0.5 . 1 . . . . 17 HIS CA . 15364 1 182 . 1 1 17 17 HIS CB C 13 30 0.5 . 1 . . . . 17 HIS CB . 15364 1 183 . 1 1 17 17 HIS N N 15 113.9 0.2 . 1 . . . . 17 HIS N . 15364 1 184 . 1 1 18 18 SER H H 1 8.46 0.05 . 1 . . . . 18 SER H . 15364 1 185 . 1 1 18 18 SER HA H 1 4.79 0.05 . 1 . . . . 18 SER HA . 15364 1 186 . 1 1 18 18 SER HB2 H 1 3.84 0.05 . 1 . . . . 18 SER HB2 . 15364 1 187 . 1 1 18 18 SER HB3 H 1 4.14 0.05 . 1 . . . . 18 SER HB3 . 15364 1 188 . 1 1 18 18 SER C C 13 176.4 0.5 . 1 . . . . 18 SER C . 15364 1 189 . 1 1 18 18 SER CA C 13 55.9 0.5 . 1 . . . . 18 SER CA . 15364 1 190 . 1 1 18 18 SER CB C 13 66.5 0.5 . 1 . . . . 18 SER CB . 15364 1 191 . 1 1 18 18 SER N N 15 112.1 0.2 . 1 . . . . 18 SER N . 15364 1 192 . 1 1 19 19 ALA H H 1 9.03 0.05 . 1 . . . . 19 ALA H . 15364 1 193 . 1 1 19 19 ALA HA H 1 4.69 0.05 . 1 . . . . 19 ALA HA . 15364 1 194 . 1 1 19 19 ALA HB1 H 1 1.22 0.05 . 1 . . . . 19 ALA HB . 15364 1 195 . 1 1 19 19 ALA HB2 H 1 1.22 0.05 . 1 . . . . 19 ALA HB . 15364 1 196 . 1 1 19 19 ALA HB3 H 1 1.22 0.05 . 1 . . . . 19 ALA HB . 15364 1 197 . 1 1 19 19 ALA C C 13 180.6 0.5 . 1 . . . . 19 ALA C . 15364 1 198 . 1 1 19 19 ALA CA C 13 56.2 0.5 . 1 . . . . 19 ALA CA . 15364 1 199 . 1 1 19 19 ALA CB C 13 18.4 0.5 . 1 . . . . 19 ALA CB . 15364 1 200 . 1 1 19 19 ALA N N 15 124.5 0.2 . 1 . . . . 19 ALA N . 15364 1 201 . 1 1 20 20 ARG H H 1 8.27 0.05 . 1 . . . . 20 ARG H . 15364 1 202 . 1 1 20 20 ARG HA H 1 4.09 0.05 . 1 . . . . 20 ARG HA . 15364 1 203 . 1 1 20 20 ARG HB2 H 1 1.82 0.05 . 2 . . . . 20 ARG HB2 . 15364 1 204 . 1 1 20 20 ARG HB3 H 1 1.82 0.05 . 2 . . . . 20 ARG HB3 . 15364 1 205 . 1 1 20 20 ARG HD2 H 1 3.21 0.05 . 2 . . . . 20 ARG HD2 . 15364 1 206 . 1 1 20 20 ARG HD3 H 1 3.21 0.05 . 2 . . . . 20 ARG HD3 . 15364 1 207 . 1 1 20 20 ARG HG2 H 1 1.66 0.05 . 2 . . . . 20 ARG HG2 . 15364 1 208 . 1 1 20 20 ARG HG3 H 1 1.66 0.05 . 2 . . . . 20 ARG HG3 . 15364 1 209 . 1 1 20 20 ARG C C 13 177.5 0.5 . 1 . . . . 20 ARG C . 15364 1 210 . 1 1 20 20 ARG CA C 13 58.5 0.5 . 1 . . . . 20 ARG CA . 15364 1 211 . 1 1 20 20 ARG CB C 13 29.9 0.5 . 1 . . . . 20 ARG CB . 15364 1 212 . 1 1 20 20 ARG CD C 13 43.2 0.5 . 1 . . . . 20 ARG CD . 15364 1 213 . 1 1 20 20 ARG CG C 13 27.3 0.5 . 1 . . . . 20 ARG CG . 15364 1 214 . 1 1 20 20 ARG N N 15 116.7 0.2 . 1 . . . . 20 ARG N . 15364 1 215 . 1 1 21 21 GLN H H 1 7.81 0.05 . 1 . . . . 21 GLN H . 15364 1 216 . 1 1 21 21 GLN HA H 1 4.37 0.05 . 1 . . . . 21 GLN HA . 15364 1 217 . 1 1 21 21 GLN HB2 H 1 2.24 0.05 . 2 . . . . 21 GLN HB2 . 15364 1 218 . 1 1 21 21 GLN HB3 H 1 2.24 0.05 . 2 . . . . 21 GLN HB3 . 15364 1 219 . 1 1 21 21 GLN HE21 H 1 6.94 0.05 . 2 . . . . 21 GLN HE21 . 15364 1 220 . 1 1 21 21 GLN HE22 H 1 7.67 0.05 . 2 . . . . 21 GLN HE22 . 15364 1 221 . 1 1 21 21 GLN HG2 H 1 2.25 0.05 . 2 . . . . 21 GLN HG2 . 15364 1 222 . 1 1 21 21 GLN HG3 H 1 2.4 0.05 . 2 . . . . 21 GLN HG3 . 15364 1 223 . 1 1 21 21 GLN C C 13 175.4 0.5 . 1 . . . . 21 GLN C . 15364 1 224 . 1 1 21 21 GLN CA C 13 55.1 0.5 . 1 . . . . 21 GLN CA . 15364 1 225 . 1 1 21 21 GLN CB C 13 31.3 0.5 . 1 . . . . 21 GLN CB . 15364 1 226 . 1 1 21 21 GLN CG C 13 34.5 0.5 . 1 . . . . 21 GLN CG . 15364 1 227 . 1 1 21 21 GLN N N 15 116.2 0.2 . 1 . . . . 21 GLN N . 15364 1 228 . 1 1 21 21 GLN NE2 N 15 112.8 0.2 . 1 . . . . 21 GLN NE2 . 15364 1 229 . 1 1 22 22 CYS H H 1 7.51 0.05 . 1 . . . . 22 CYS H . 15364 1 230 . 1 1 22 22 CYS HA H 1 3.64 0.05 . 1 . . . . 22 CYS HA . 15364 1 231 . 1 1 22 22 CYS HB2 H 1 2.95 0.05 . 2 . . . . 22 CYS HB2 . 15364 1 232 . 1 1 22 22 CYS HB3 H 1 3.4 0.05 . 2 . . . . 22 CYS HB3 . 15364 1 233 . 1 1 22 22 CYS C C 13 177 0.5 . 1 . . . . 22 CYS C . 15364 1 234 . 1 1 22 22 CYS CA C 13 62.8 0.5 . 1 . . . . 22 CYS CA . 15364 1 235 . 1 1 22 22 CYS CB C 13 31 0.5 . 1 . . . . 22 CYS CB . 15364 1 236 . 1 1 22 22 CYS N N 15 123.8 0.2 . 1 . . . . 22 CYS N . 15364 1 237 . 1 1 23 23 ARG H H 1 8.87 0.05 . 1 . . . . 23 ARG H . 15364 1 238 . 1 1 23 23 ARG HA H 1 4.5 0.05 . 1 . . . . 23 ARG HA . 15364 1 239 . 1 1 23 23 ARG HB2 H 1 1.62 0.05 . 2 . . . . 23 ARG HB2 . 15364 1 240 . 1 1 23 23 ARG HB3 H 1 2.04 0.05 . 2 . . . . 23 ARG HB3 . 15364 1 241 . 1 1 23 23 ARG HD2 H 1 3.11 0.05 . 2 . . . . 23 ARG HD2 . 15364 1 242 . 1 1 23 23 ARG HD3 H 1 3.11 0.05 . 2 . . . . 23 ARG HD3 . 15364 1 243 . 1 1 23 23 ARG HG2 H 1 1.52 0.05 . 2 . . . . 23 ARG HG2 . 15364 1 244 . 1 1 23 23 ARG HG3 H 1 1.63 0.05 . 2 . . . . 23 ARG HG3 . 15364 1 245 . 1 1 23 23 ARG C C 13 176.2 0.5 . 1 . . . . 23 ARG C . 15364 1 246 . 1 1 23 23 ARG CA C 13 55.3 0.5 . 1 . . . . 23 ARG CA . 15364 1 247 . 1 1 23 23 ARG CB C 13 30.3 0.5 . 1 . . . . 23 ARG CB . 15364 1 248 . 1 1 23 23 ARG CD C 13 42.9 0.5 . 1 . . . . 23 ARG CD . 15364 1 249 . 1 1 23 23 ARG CG C 13 26.9 0.5 . 1 . . . . 23 ARG CG . 15364 1 250 . 1 1 23 23 ARG N N 15 128.2 0.2 . 1 . . . . 23 ARG N . 15364 1 251 . 1 1 24 24 ALA H H 1 8.78 0.05 . 1 . . . . 24 ALA H . 15364 1 252 . 1 1 24 24 ALA HA H 1 4.55 0.05 . 1 . . . . 24 ALA HA . 15364 1 253 . 1 1 24 24 ALA HB1 H 1 1.35 0.05 . 1 . . . . 24 ALA HB . 15364 1 254 . 1 1 24 24 ALA HB2 H 1 1.35 0.05 . 1 . . . . 24 ALA HB . 15364 1 255 . 1 1 24 24 ALA HB3 H 1 1.35 0.05 . 1 . . . . 24 ALA HB . 15364 1 256 . 1 1 24 24 ALA C C 13 174.5 0.5 . 1 . . . . 24 ALA C . 15364 1 257 . 1 1 24 24 ALA CA C 13 51.1 0.5 . 1 . . . . 24 ALA CA . 15364 1 258 . 1 1 24 24 ALA CB C 13 17.9 0.5 . 1 . . . . 24 ALA CB . 15364 1 259 . 1 1 24 24 ALA N N 15 128.3 0.2 . 1 . . . . 24 ALA N . 15364 1 260 . 1 1 25 25 PRO HA H 1 4.28 0.05 . 1 . . . . 25 PRO HA . 15364 1 261 . 1 1 25 25 PRO HB2 H 1 1.71 0.05 . 2 . . . . 25 PRO HB2 . 15364 1 262 . 1 1 25 25 PRO HB3 H 1 2.28 0.05 . 2 . . . . 25 PRO HB3 . 15364 1 263 . 1 1 25 25 PRO HD2 H 1 3.5 0.05 . 2 . . . . 25 PRO HD2 . 15364 1 264 . 1 1 25 25 PRO HD3 H 1 3.77 0.05 . 2 . . . . 25 PRO HD3 . 15364 1 265 . 1 1 25 25 PRO HG2 H 1 1.95 0.05 . 2 . . . . 25 PRO HG2 . 15364 1 266 . 1 1 25 25 PRO HG3 H 1 2.03 0.05 . 2 . . . . 25 PRO HG3 . 15364 1 267 . 1 1 25 25 PRO CA C 13 62.8 0.5 . 1 . . . . 25 PRO CA . 15364 1 268 . 1 1 25 25 PRO CB C 13 31.8 0.5 . 1 . . . . 25 PRO CB . 15364 1 269 . 1 1 25 25 PRO CD C 13 50.2 0.5 . 1 . . . . 25 PRO CD . 15364 1 270 . 1 1 25 25 PRO CG C 13 27.8 0.5 . 1 . . . . 25 PRO CG . 15364 1 271 . 1 1 26 26 ARG H H 1 8.66 0.05 . 1 . . . . 26 ARG H . 15364 1 272 . 1 1 26 26 ARG HA H 1 4.33 0.05 . 1 . . . . 26 ARG HA . 15364 1 273 . 1 1 26 26 ARG HB2 H 1 1.78 0.05 . 2 . . . . 26 ARG HB2 . 15364 1 274 . 1 1 26 26 ARG HB3 H 1 1.78 0.05 . 2 . . . . 26 ARG HB3 . 15364 1 275 . 1 1 26 26 ARG HD2 H 1 3.13 0.05 . 2 . . . . 26 ARG HD2 . 15364 1 276 . 1 1 26 26 ARG HD3 H 1 3.13 0.05 . 2 . . . . 26 ARG HD3 . 15364 1 277 . 1 1 26 26 ARG HG2 H 1 1.7 0.05 . 2 . . . . 26 ARG HG2 . 15364 1 278 . 1 1 26 26 ARG HG3 H 1 1.7 0.05 . 2 . . . . 26 ARG HG3 . 15364 1 279 . 1 1 26 26 ARG CA C 13 55.8 0.5 . 1 . . . . 26 ARG CA . 15364 1 280 . 1 1 26 26 ARG CB C 13 30.1 0.5 . 1 . . . . 26 ARG CB . 15364 1 281 . 1 1 26 26 ARG CD C 13 43.3 0.5 . 1 . . . . 26 ARG CD . 15364 1 282 . 1 1 26 26 ARG CG C 13 26.9 0.5 . 1 . . . . 26 ARG CG . 15364 1 283 . 1 1 26 26 ARG N N 15 124 0.2 . 1 . . . . 26 ARG N . 15364 1 284 . 1 1 27 27 ARG H H 1 8.99 0.05 . 1 . . . . 27 ARG H . 15364 1 285 . 1 1 27 27 ARG HA H 1 4.33 0.05 . 1 . . . . 27 ARG HA . 15364 1 286 . 1 1 27 27 ARG HB2 H 1 1.86 0.05 . 2 . . . . 27 ARG HB2 . 15364 1 287 . 1 1 27 27 ARG HB3 H 1 1.86 0.05 . 2 . . . . 27 ARG HB3 . 15364 1 288 . 1 1 27 27 ARG HD2 H 1 3.06 0.05 . 2 . . . . 27 ARG HD2 . 15364 1 289 . 1 1 27 27 ARG HD3 H 1 3.06 0.05 . 2 . . . . 27 ARG HD3 . 15364 1 290 . 1 1 27 27 ARG HE H 1 6.93 0.05 . 1 . . . . 27 ARG HE . 15364 1 291 . 1 1 27 27 ARG HG2 H 1 1.66 0.05 . 2 . . . . 27 ARG HG2 . 15364 1 292 . 1 1 27 27 ARG HG3 H 1 1.66 0.05 . 2 . . . . 27 ARG HG3 . 15364 1 293 . 1 1 27 27 ARG CA C 13 56.2 0.5 . 1 . . . . 27 ARG CA . 15364 1 294 . 1 1 27 27 ARG CB C 13 31.1 0.5 . 1 . . . . 27 ARG CB . 15364 1 295 . 1 1 27 27 ARG CD C 13 43.7 0.5 . 1 . . . . 27 ARG CD . 15364 1 296 . 1 1 27 27 ARG CG C 13 26.9 0.5 . 1 . . . . 27 ARG CG . 15364 1 297 . 1 1 27 27 ARG N N 15 127.5 0.2 . 1 . . . . 27 ARG N . 15364 1 298 . 1 1 27 27 ARG NE N 15 112.2 0.2 . 1 . . . . 27 ARG NE . 15364 1 299 . 1 1 28 28 GLN H H 1 8.65 0.05 . 1 . . . . 28 GLN H . 15364 1 300 . 1 1 28 28 GLN HA H 1 4.33 0.05 . 1 . . . . 28 GLN HA . 15364 1 301 . 1 1 28 28 GLN HB2 H 1 1.94 0.05 . 2 . . . . 28 GLN HB2 . 15364 1 302 . 1 1 28 28 GLN HB3 H 1 2.07 0.05 . 2 . . . . 28 GLN HB3 . 15364 1 303 . 1 1 28 28 GLN HE21 H 1 6.92 0.05 . 2 . . . . 28 GLN HE21 . 15364 1 304 . 1 1 28 28 GLN HE22 H 1 7.59 0.05 . 2 . . . . 28 GLN HE22 . 15364 1 305 . 1 1 28 28 GLN HG2 H 1 2.38 0.05 . 2 . . . . 28 GLN HG2 . 15364 1 306 . 1 1 28 28 GLN HG3 H 1 2.38 0.05 . 2 . . . . 28 GLN HG3 . 15364 1 307 . 1 1 28 28 GLN C C 13 176.2 0.5 . 1 . . . . 28 GLN C . 15364 1 308 . 1 1 28 28 GLN CA C 13 55.8 0.5 . 1 . . . . 28 GLN CA . 15364 1 309 . 1 1 28 28 GLN CB C 13 29.5 0.5 . 1 . . . . 28 GLN CB . 15364 1 310 . 1 1 28 28 GLN CG C 13 33.8 0.5 . 1 . . . . 28 GLN CG . 15364 1 311 . 1 1 28 28 GLN N N 15 122.4 0.2 . 1 . . . . 28 GLN N . 15364 1 312 . 1 1 28 28 GLN NE2 N 15 112.9 0.2 . 1 . . . . 28 GLN NE2 . 15364 1 313 . 1 1 29 29 GLY H H 1 8.27 0.05 . 1 . . . . 29 GLY H . 15364 1 314 . 1 1 29 29 GLY HA2 H 1 3.74 0.05 . 2 . . . . 29 GLY HA2 . 15364 1 315 . 1 1 29 29 GLY HA3 H 1 3.74 0.05 . 2 . . . . 29 GLY HA3 . 15364 1 316 . 1 1 29 29 GLY C C 13 172.8 0.5 . 1 . . . . 29 GLY C . 15364 1 317 . 1 1 29 29 GLY CA C 13 44.5 0.5 . 1 . . . . 29 GLY CA . 15364 1 318 . 1 1 29 29 GLY N N 15 109.6 0.2 . 1 . . . . 29 GLY N . 15364 1 319 . 1 1 30 30 CYS H H 1 8.28 0.05 . 1 . . . . 30 CYS H . 15364 1 320 . 1 1 30 30 CYS HA H 1 4.06 0.05 . 1 . . . . 30 CYS HA . 15364 1 321 . 1 1 30 30 CYS HB2 H 1 2.06 0.05 . 2 . . . . 30 CYS HB2 . 15364 1 322 . 1 1 30 30 CYS HB3 H 1 2.85 0.05 . 2 . . . . 30 CYS HB3 . 15364 1 323 . 1 1 30 30 CYS CA C 13 59.6 0.5 . 1 . . . . 30 CYS CA . 15364 1 324 . 1 1 30 30 CYS CB C 13 35 0.5 . 1 . . . . 30 CYS CB . 15364 1 325 . 1 1 30 30 CYS N N 15 124.2 0.2 . 1 . . . . 30 CYS N . 15364 1 326 . 1 1 31 31 TRP H H 1 8.44 0.05 . 1 . . . . 31 TRP H . 15364 1 327 . 1 1 31 31 TRP HA H 1 4.45 0.05 . 1 . . . . 31 TRP HA . 15364 1 328 . 1 1 31 31 TRP HB2 H 1 3.4 0.05 . 2 . . . . 31 TRP HB2 . 15364 1 329 . 1 1 31 31 TRP HB3 H 1 3.4 0.05 . 2 . . . . 31 TRP HB3 . 15364 1 330 . 1 1 31 31 TRP HD1 H 1 7.17 0.05 . 1 . . . . 31 TRP HD1 . 15364 1 331 . 1 1 31 31 TRP HE1 H 1 10.12 0.05 . 1 . . . . 31 TRP HE1 . 15364 1 332 . 1 1 31 31 TRP CA C 13 58.6 0.5 . 1 . . . . 31 TRP CA . 15364 1 333 . 1 1 31 31 TRP CB C 13 29.7 0.5 . 1 . . . . 31 TRP CB . 15364 1 334 . 1 1 31 31 TRP N N 15 129.8 0.2 . 1 . . . . 31 TRP N . 15364 1 335 . 1 1 31 31 TRP NE1 N 15 129 0.2 . 1 . . . . 31 TRP NE1 . 15364 1 336 . 1 1 32 32 LYS H H 1 9.24 0.05 . 1 . . . . 32 LYS H . 15364 1 337 . 1 1 32 32 LYS HA H 1 4.32 0.05 . 1 . . . . 32 LYS HA . 15364 1 338 . 1 1 32 32 LYS HB2 H 1 2.18 0.05 . 2 . . . . 32 LYS HB2 . 15364 1 339 . 1 1 32 32 LYS HB3 H 1 2.18 0.05 . 2 . . . . 32 LYS HB3 . 15364 1 340 . 1 1 32 32 LYS HD2 H 1 1.23 0.05 . 2 . . . . 32 LYS HD2 . 15364 1 341 . 1 1 32 32 LYS HD3 H 1 1.23 0.05 . 2 . . . . 32 LYS HD3 . 15364 1 342 . 1 1 32 32 LYS HG2 H 1 1.58 0.05 . 2 . . . . 32 LYS HG2 . 15364 1 343 . 1 1 32 32 LYS HG3 H 1 1.58 0.05 . 2 . . . . 32 LYS HG3 . 15364 1 344 . 1 1 32 32 LYS C C 13 176.7 0.5 . 1 . . . . 32 LYS C . 15364 1 345 . 1 1 32 32 LYS CA C 13 58.7 0.5 . 1 . . . . 32 LYS CA . 15364 1 346 . 1 1 32 32 LYS CB C 13 33.2 0.5 . 1 . . . . 32 LYS CB . 15364 1 347 . 1 1 32 32 LYS CD C 13 22.6 0.5 . 1 . . . . 32 LYS CD . 15364 1 348 . 1 1 32 32 LYS CG C 13 25.8 0.5 . 1 . . . . 32 LYS CG . 15364 1 349 . 1 1 32 32 LYS N N 15 122.7 0.2 . 1 . . . . 32 LYS N . 15364 1 350 . 1 1 33 33 CYS H H 1 8.51 0.05 . 1 . . . . 33 CYS H . 15364 1 351 . 1 1 33 33 CYS HA H 1 4.94 0.05 . 1 . . . . 33 CYS HA . 15364 1 352 . 1 1 33 33 CYS HB2 H 1 3.21 0.05 . 1 . . . . 33 CYS HB2 . 15364 1 353 . 1 1 33 33 CYS HB3 H 1 2.49 0.05 . 1 . . . . 33 CYS HB3 . 15364 1 354 . 1 1 33 33 CYS C C 13 176.9 0.5 . 1 . . . . 33 CYS C . 15364 1 355 . 1 1 33 33 CYS CA C 13 58.9 0.5 . 1 . . . . 33 CYS CA . 15364 1 356 . 1 1 33 33 CYS CB C 13 32.7 0.5 . 1 . . . . 33 CYS CB . 15364 1 357 . 1 1 33 33 CYS N N 15 117.4 0.2 . 1 . . . . 33 CYS N . 15364 1 358 . 1 1 34 34 GLY H H 1 8.11 0.05 . 1 . . . . 34 GLY H . 15364 1 359 . 1 1 34 34 GLY HA2 H 1 3.63 0.05 . 2 . . . . 34 GLY HA2 . 15364 1 360 . 1 1 34 34 GLY HA3 H 1 3.93 0.05 . 2 . . . . 34 GLY HA3 . 15364 1 361 . 1 1 34 34 GLY C C 13 174.3 0.5 . 1 . . . . 34 GLY C . 15364 1 362 . 1 1 34 34 GLY CA C 13 46.1 0.5 . 1 . . . . 34 GLY CA . 15364 1 363 . 1 1 34 34 GLY N N 15 113.9 0.2 . 1 . . . . 34 GLY N . 15364 1 364 . 1 1 35 35 LYS H H 1 8.33 0.05 . 1 . . . . 35 LYS H . 15364 1 365 . 1 1 35 35 LYS HA H 1 4.5 0.05 . 1 . . . . 35 LYS HA . 15364 1 366 . 1 1 35 35 LYS HB2 H 1 1.76 0.05 . 2 . . . . 35 LYS HB2 . 15364 1 367 . 1 1 35 35 LYS HB3 H 1 1.97 0.05 . 2 . . . . 35 LYS HB3 . 15364 1 368 . 1 1 35 35 LYS HD2 H 1 3.04 0.05 . 2 . . . . 35 LYS HD2 . 15364 1 369 . 1 1 35 35 LYS HD3 H 1 3.04 0.05 . 2 . . . . 35 LYS HD3 . 15364 1 370 . 1 1 35 35 LYS HG2 H 1 1.43 0.05 . 2 . . . . 35 LYS HG2 . 15364 1 371 . 1 1 35 35 LYS HG3 H 1 1.62 0.05 . 2 . . . . 35 LYS HG3 . 15364 1 372 . 1 1 35 35 LYS C C 13 176.7 0.5 . 1 . . . . 35 LYS C . 15364 1 373 . 1 1 35 35 LYS CA C 13 56.4 0.5 . 1 . . . . 35 LYS CA . 15364 1 374 . 1 1 35 35 LYS CB C 13 33.4 0.5 . 1 . . . . 35 LYS CB . 15364 1 375 . 1 1 35 35 LYS CG C 13 25.4 0.5 . 1 . . . . 35 LYS CG . 15364 1 376 . 1 1 35 35 LYS N N 15 121.9 0.2 . 1 . . . . 35 LYS N . 15364 1 377 . 1 1 36 36 THR H H 1 8.22 0.05 . 1 . . . . 36 THR H . 15364 1 378 . 1 1 36 36 THR HA H 1 4.28 0.05 . 1 . . . . 36 THR HA . 15364 1 379 . 1 1 36 36 THR HB H 1 4.23 0.05 . 1 . . . . 36 THR HB . 15364 1 380 . 1 1 36 36 THR HG21 H 1 1.16 0.05 . 1 . . . . 36 THR HG2 . 15364 1 381 . 1 1 36 36 THR HG22 H 1 1.16 0.05 . 1 . . . . 36 THR HG2 . 15364 1 382 . 1 1 36 36 THR HG23 H 1 1.16 0.05 . 1 . . . . 36 THR HG2 . 15364 1 383 . 1 1 36 36 THR C C 13 176.4 0.5 . 1 . . . . 36 THR C . 15364 1 384 . 1 1 36 36 THR CA C 13 61.8 0.5 . 1 . . . . 36 THR CA . 15364 1 385 . 1 1 36 36 THR CB C 13 69.2 0.5 . 1 . . . . 36 THR CB . 15364 1 386 . 1 1 36 36 THR CG2 C 13 21.8 0.5 . 1 . . . . 36 THR CG2 . 15364 1 387 . 1 1 36 36 THR N N 15 110.2 0.2 . 1 . . . . 36 THR N . 15364 1 388 . 1 1 37 37 GLY H H 1 8.6 0.05 . 1 . . . . 37 GLY H . 15364 1 389 . 1 1 37 37 GLY HA2 H 1 3.72 0.05 . 2 . . . . 37 GLY HA2 . 15364 1 390 . 1 1 37 37 GLY HA3 H 1 4.29 0.05 . 2 . . . . 37 GLY HA3 . 15364 1 391 . 1 1 37 37 GLY C C 13 173.7 0.5 . 1 . . . . 37 GLY C . 15364 1 392 . 1 1 37 37 GLY CA C 13 45.6 0.5 . 1 . . . . 37 GLY CA . 15364 1 393 . 1 1 37 37 GLY N N 15 107.9 0.2 . 1 . . . . 37 GLY N . 15364 1 394 . 1 1 38 38 HIS H H 1 7.1 0.05 . 1 . . . . 38 HIS H . 15364 1 395 . 1 1 38 38 HIS HA H 1 4.9 0.05 . 1 . . . . 38 HIS HA . 15364 1 396 . 1 1 38 38 HIS HB2 H 1 3.07 0.05 . 2 . . . . 38 HIS HB2 . 15364 1 397 . 1 1 38 38 HIS HB3 H 1 3.18 0.05 . 2 . . . . 38 HIS HB3 . 15364 1 398 . 1 1 38 38 HIS HD2 H 1 7.19 0.05 . 1 . . . . 38 HIS HD2 . 15364 1 399 . 1 1 38 38 HIS CA C 13 43.3 0.5 . 1 . . . . 38 HIS CA . 15364 1 400 . 1 1 38 38 HIS CB C 13 27.7 0.5 . 1 . . . . 38 HIS CB . 15364 1 401 . 1 1 38 38 HIS N N 15 112.6 0.2 . 1 . . . . 38 HIS N . 15364 1 402 . 1 1 39 39 VAL H H 1 7.94 0.05 . 1 . . . . 39 VAL H . 15364 1 403 . 1 1 39 39 VAL HA H 1 4.58 0.05 . 1 . . . . 39 VAL HA . 15364 1 404 . 1 1 39 39 VAL HB H 1 2.35 0.05 . 1 . . . . 39 VAL HB . 15364 1 405 . 1 1 39 39 VAL HG11 H 1 0.88 0.05 . 2 . . . . 39 VAL HG1 . 15364 1 406 . 1 1 39 39 VAL HG12 H 1 0.88 0.05 . 2 . . . . 39 VAL HG1 . 15364 1 407 . 1 1 39 39 VAL HG13 H 1 0.88 0.05 . 2 . . . . 39 VAL HG1 . 15364 1 408 . 1 1 39 39 VAL HG21 H 1 0.88 0.05 . 2 . . . . 39 VAL HG2 . 15364 1 409 . 1 1 39 39 VAL HG22 H 1 0.88 0.05 . 2 . . . . 39 VAL HG2 . 15364 1 410 . 1 1 39 39 VAL HG23 H 1 0.88 0.05 . 2 . . . . 39 VAL HG2 . 15364 1 411 . 1 1 39 39 VAL C C 13 172.8 0.5 . 1 . . . . 39 VAL C . 15364 1 412 . 1 1 39 39 VAL CA C 13 59.2 0.5 . 1 . . . . 39 VAL CA . 15364 1 413 . 1 1 39 39 VAL CB C 13 33.7 0.5 . 1 . . . . 39 VAL CB . 15364 1 414 . 1 1 39 39 VAL CG1 C 13 21.4 0.5 . 2 . . . . 39 VAL CG1 . 15364 1 415 . 1 1 39 39 VAL CG2 C 13 21.4 0.5 . 2 . . . . 39 VAL CG2 . 15364 1 416 . 1 1 39 39 VAL N N 15 110.5 0.2 . 1 . . . . 39 VAL N . 15364 1 417 . 1 1 40 40 MET H H 1 8.81 0.05 . 1 . . . . 40 MET H . 15364 1 418 . 1 1 40 40 MET HA H 1 4.77 0.05 . 1 . . . . 40 MET HA . 15364 1 419 . 1 1 40 40 MET HB2 H 1 2.08 0.05 . 2 . . . . 40 MET HB2 . 15364 1 420 . 1 1 40 40 MET HB3 H 1 2.08 0.05 . 2 . . . . 40 MET HB3 . 15364 1 421 . 1 1 40 40 MET HG2 H 1 2.45 0.05 . 2 . . . . 40 MET HG2 . 15364 1 422 . 1 1 40 40 MET HG3 H 1 2.45 0.05 . 2 . . . . 40 MET HG3 . 15364 1 423 . 1 1 40 40 MET C C 13 178.3 0.5 . 1 . . . . 40 MET C . 15364 1 424 . 1 1 40 40 MET CA C 13 60.1 0.5 . 1 . . . . 40 MET CA . 15364 1 425 . 1 1 40 40 MET CB C 13 32.8 0.5 . 1 . . . . 40 MET CB . 15364 1 426 . 1 1 40 40 MET CG C 13 31.8 0.5 . 1 . . . . 40 MET CG . 15364 1 427 . 1 1 40 40 MET N N 15 122.4 0.2 . 1 . . . . 40 MET N . 15364 1 428 . 1 1 41 41 ALA H H 1 8.53 0.05 . 1 . . . . 41 ALA H . 15364 1 429 . 1 1 41 41 ALA HA H 1 4.1 0.05 . 1 . . . . 41 ALA HA . 15364 1 430 . 1 1 41 41 ALA HB1 H 1 1.4 0.05 . 1 . . . . 41 ALA HB . 15364 1 431 . 1 1 41 41 ALA HB2 H 1 1.4 0.05 . 1 . . . . 41 ALA HB . 15364 1 432 . 1 1 41 41 ALA HB3 H 1 1.4 0.05 . 1 . . . . 41 ALA HB . 15364 1 433 . 1 1 41 41 ALA C C 13 178.3 0.5 . 1 . . . . 41 ALA C . 15364 1 434 . 1 1 41 41 ALA CA C 13 54.4 0.5 . 1 . . . . 41 ALA CA . 15364 1 435 . 1 1 41 41 ALA CB C 13 18.8 0.5 . 1 . . . . 41 ALA CB . 15364 1 436 . 1 1 41 41 ALA N N 15 120.8 0.2 . 1 . . . . 41 ALA N . 15364 1 437 . 1 1 42 42 LYS H H 1 7.9 0.05 . 1 . . . . 42 LYS H . 15364 1 438 . 1 1 42 42 LYS HA H 1 4.48 0.05 . 1 . . . . 42 LYS HA . 15364 1 439 . 1 1 42 42 LYS HB2 H 1 2.09 0.05 . 1 . . . . 42 LYS HB2 . 15364 1 440 . 1 1 42 42 LYS HB3 H 1 1.63 0.05 . 1 . . . . 42 LYS HB3 . 15364 1 441 . 1 1 42 42 LYS HE2 H 1 2.93 0.05 . 2 . . . . 42 LYS HE2 . 15364 1 442 . 1 1 42 42 LYS HE3 H 1 2.93 0.05 . 2 . . . . 42 LYS HE3 . 15364 1 443 . 1 1 42 42 LYS HG2 H 1 1.21 0.05 . 2 . . . . 42 LYS HG2 . 15364 1 444 . 1 1 42 42 LYS HG3 H 1 1.4 0.05 . 2 . . . . 42 LYS HG3 . 15364 1 445 . 1 1 42 42 LYS C C 13 175.4 0.5 . 1 . . . . 42 LYS C . 15364 1 446 . 1 1 42 42 LYS CA C 13 53.5 0.5 . 1 . . . . 42 LYS CA . 15364 1 447 . 1 1 42 42 LYS CB C 13 32.7 0.5 . 1 . . . . 42 LYS CB . 15364 1 448 . 1 1 42 42 LYS CG C 13 24.7 0.5 . 1 . . . . 42 LYS CG . 15364 1 449 . 1 1 42 42 LYS N N 15 115.2 0.2 . 1 . . . . 42 LYS N . 15364 1 450 . 1 1 43 43 CYS H H 1 7.57 0.05 . 1 . . . . 43 CYS H . 15364 1 451 . 1 1 43 43 CYS HA H 1 4.02 0.05 . 1 . . . . 43 CYS HA . 15364 1 452 . 1 1 43 43 CYS HB2 H 1 2.79 0.05 . 2 . . . . 43 CYS HB2 . 15364 1 453 . 1 1 43 43 CYS HB3 H 1 3.29 0.05 . 2 . . . . 43 CYS HB3 . 15364 1 454 . 1 1 43 43 CYS CA C 13 58.6 0.5 . 1 . . . . 43 CYS CA . 15364 1 455 . 1 1 43 43 CYS CB C 13 30.8 0.5 . 1 . . . . 43 CYS CB . 15364 1 456 . 1 1 43 43 CYS N N 15 125.6 0.2 . 1 . . . . 43 CYS N . 15364 1 457 . 1 1 44 44 PRO HA H 1 4.43 0.05 . 1 . . . . 44 PRO HA . 15364 1 458 . 1 1 44 44 PRO HB2 H 1 1.93 0.05 . 2 . . . . 44 PRO HB2 . 15364 1 459 . 1 1 44 44 PRO HB3 H 1 2.15 0.05 . 2 . . . . 44 PRO HB3 . 15364 1 460 . 1 1 44 44 PRO HD2 H 1 3 0.05 . 2 . . . . 44 PRO HD2 . 15364 1 461 . 1 1 44 44 PRO HD3 H 1 3.62 0.05 . 2 . . . . 44 PRO HD3 . 15364 1 462 . 1 1 44 44 PRO HG2 H 1 1.79 0.05 . 2 . . . . 44 PRO HG2 . 15364 1 463 . 1 1 44 44 PRO HG3 H 1 1.85 0.05 . 2 . . . . 44 PRO HG3 . 15364 1 464 . 1 1 44 44 PRO CA C 13 63.8 0.5 . 1 . . . . 44 PRO CA . 15364 1 465 . 1 1 44 44 PRO CB C 13 32.2 0.5 . 1 . . . . 44 PRO CB . 15364 1 466 . 1 1 44 44 PRO CD C 13 50.4 0.5 . 1 . . . . 44 PRO CD . 15364 1 467 . 1 1 44 44 PRO CG C 13 26.7 0.5 . 1 . . . . 44 PRO CG . 15364 1 468 . 1 1 45 45 GLU H H 1 8.67 0.05 . 1 . . . . 45 GLU H . 15364 1 469 . 1 1 45 45 GLU HA H 1 4.25 0.05 . 1 . . . . 45 GLU HA . 15364 1 470 . 1 1 45 45 GLU HB2 H 1 1.94 0.05 . 2 . . . . 45 GLU HB2 . 15364 1 471 . 1 1 45 45 GLU HB3 H 1 2.11 0.05 . 2 . . . . 45 GLU HB3 . 15364 1 472 . 1 1 45 45 GLU HG2 H 1 2.18 0.05 . 2 . . . . 45 GLU HG2 . 15364 1 473 . 1 1 45 45 GLU HG3 H 1 2.3 0.05 . 2 . . . . 45 GLU HG3 . 15364 1 474 . 1 1 45 45 GLU CA C 13 56.6 0.5 . 1 . . . . 45 GLU CA . 15364 1 475 . 1 1 45 45 GLU CB C 13 28.8 0.5 . 1 . . . . 45 GLU CB . 15364 1 476 . 1 1 45 45 GLU CG C 13 35.9 0.5 . 1 . . . . 45 GLU CG . 15364 1 477 . 1 1 45 45 GLU N N 15 120.6 0.2 . 1 . . . . 45 GLU N . 15364 1 478 . 1 1 46 46 ARG H H 1 8.16 0.05 . 1 . . . . 46 ARG H . 15364 1 479 . 1 1 46 46 ARG HA H 1 4.24 0.05 . 1 . . . . 46 ARG HA . 15364 1 480 . 1 1 46 46 ARG HB2 H 1 1.78 0.05 . 2 . . . . 46 ARG HB2 . 15364 1 481 . 1 1 46 46 ARG HB3 H 1 1.84 0.05 . 2 . . . . 46 ARG HB3 . 15364 1 482 . 1 1 46 46 ARG HD2 H 1 3.18 0.05 . 2 . . . . 46 ARG HD2 . 15364 1 483 . 1 1 46 46 ARG HD3 H 1 3.18 0.05 . 2 . . . . 46 ARG HD3 . 15364 1 484 . 1 1 46 46 ARG HG2 H 1 1.59 0.05 . 2 . . . . 46 ARG HG2 . 15364 1 485 . 1 1 46 46 ARG HG3 H 1 1.59 0.05 . 2 . . . . 46 ARG HG3 . 15364 1 486 . 1 1 46 46 ARG C C 13 176.3 0.5 . 1 . . . . 46 ARG C . 15364 1 487 . 1 1 46 46 ARG CA C 13 56.3 0.5 . 1 . . . . 46 ARG CA . 15364 1 488 . 1 1 46 46 ARG CB C 13 30.8 0.5 . 1 . . . . 46 ARG CB . 15364 1 489 . 1 1 46 46 ARG CG C 13 27 0.5 . 1 . . . . 46 ARG CG . 15364 1 490 . 1 1 46 46 ARG N N 15 121.2 0.2 . 1 . . . . 46 ARG N . 15364 1 491 . 1 1 47 47 GLN H H 1 8.47 0.05 . 1 . . . . 47 GLN H . 15364 1 492 . 1 1 47 47 GLN HA H 1 4.3 0.05 . 1 . . . . 47 GLN HA . 15364 1 493 . 1 1 47 47 GLN HB2 H 1 1.97 0.05 . 2 . . . . 47 GLN HB2 . 15364 1 494 . 1 1 47 47 GLN HB3 H 1 2.11 0.05 . 2 . . . . 47 GLN HB3 . 15364 1 495 . 1 1 47 47 GLN HE21 H 1 6.89 0.05 . 2 . . . . 47 GLN HE21 . 15364 1 496 . 1 1 47 47 GLN HE22 H 1 6.89 0.05 . 2 . . . . 47 GLN HE22 . 15364 1 497 . 1 1 47 47 GLN HG2 H 1 2.33 0.05 . 2 . . . . 47 GLN HG2 . 15364 1 498 . 1 1 47 47 GLN HG3 H 1 2.33 0.05 . 2 . . . . 47 GLN HG3 . 15364 1 499 . 1 1 47 47 GLN C C 13 175.7 0.5 . 1 . . . . 47 GLN C . 15364 1 500 . 1 1 47 47 GLN CA C 13 55.8 0.5 . 1 . . . . 47 GLN CA . 15364 1 501 . 1 1 47 47 GLN N N 15 121.3 0.2 . 1 . . . . 47 GLN N . 15364 1 502 . 1 1 47 47 GLN NE2 N 15 112.8 0.2 . 1 . . . . 47 GLN NE2 . 15364 1 503 . 1 1 48 48 ALA H H 1 8.42 0.05 . 1 . . . . 48 ALA H . 15364 1 504 . 1 1 48 48 ALA HA H 1 4.32 0.05 . 1 . . . . 48 ALA HA . 15364 1 505 . 1 1 48 48 ALA HB1 H 1 1.38 0.05 . 1 . . . . 48 ALA HB . 15364 1 506 . 1 1 48 48 ALA HB2 H 1 1.38 0.05 . 1 . . . . 48 ALA HB . 15364 1 507 . 1 1 48 48 ALA HB3 H 1 1.38 0.05 . 1 . . . . 48 ALA HB . 15364 1 508 . 1 1 48 48 ALA C C 13 177.3 0.5 . 1 . . . . 48 ALA C . 15364 1 509 . 1 1 48 48 ALA CA C 13 52.4 0.5 . 1 . . . . 48 ALA CA . 15364 1 510 . 1 1 48 48 ALA CB C 13 19.4 0.5 . 1 . . . . 48 ALA CB . 15364 1 511 . 1 1 48 48 ALA N N 15 126 0.2 . 1 . . . . 48 ALA N . 15364 1 512 . 1 1 49 49 GLY H H 1 8.08 0.05 . 1 . . . . 49 GLY H . 15364 1 513 . 1 1 49 49 GLY HA2 H 1 3.75 0.05 . 2 . . . . 49 GLY HA2 . 15364 1 514 . 1 1 49 49 GLY HA3 H 1 3.75 0.05 . 2 . . . . 49 GLY HA3 . 15364 1 515 . 1 1 49 49 GLY C C 13 179.4 0.5 . 1 . . . . 49 GLY C . 15364 1 516 . 1 1 49 49 GLY CA C 13 45.9 0.5 . 1 . . . . 49 GLY CA . 15364 1 517 . 1 1 49 49 GLY N N 15 114.7 0.2 . 1 . . . . 49 GLY N . 15364 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 15364 _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 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _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 20 '{1H}-15N NOE' . . . 15364 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $ANSIG . . 15364 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 3 3 GLN N N 15 . 1 1 3 3 GLN H H 1 -1.707 0.008 . . . . . . . . . . 15364 1 2 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 -0.746 0.005 . . . . . . . . . . 15364 1 3 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 -0.367 0.005 . . . . . . . . . . 15364 1 4 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 -0.096 0.004 . . . . . . . . . . 15364 1 5 . 1 1 7 7 ILE N N 15 . 1 1 7 7 ILE H H 1 0.352 0.009 . . . . . . . . . . 15364 1 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.637 0.008 . . . . . . . . . . 15364 1 7 . 1 1 9 9 CYS N N 15 . 1 1 9 9 CYS H H 1 0.733 0.003 . . . . . . . . . . 15364 1 8 . 1 1 10 10 TRP N N 15 . 1 1 10 10 TRP H H 1 0.765 0.013 . . . . . . . . . . 15364 1 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.812 0.001 . . . . . . . . . . 15364 1 10 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.820 0.008 . . . . . . . . . . 15364 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.773 0.011 . . . . . . . . . . 15364 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.851 0.011 . . . . . . . . . . 15364 1 13 . 1 1 15 15 GLU N N 15 . 1 1 15 15 GLU H H 1 0.742 0.020 . . . . . . . . . . 15364 1 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.684 0.006 . . . . . . . . . . 15364 1 15 . 1 1 17 17 HIS N N 15 . 1 1 17 17 HIS H H 1 0.753 0.001 . . . . . . . . . . 15364 1 16 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.751 0.006 . . . . . . . . . . 15364 1 17 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.810 0.010 . . . . . . . . . . 15364 1 18 . 1 1 20 20 ARG N N 15 . 1 1 20 20 ARG H H 1 0.796 0.017 . . . . . . . . . . 15364 1 19 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.772 0.004 . . . . . . . . . . 15364 1 20 . 1 1 22 22 CYS N N 15 . 1 1 22 22 CYS H H 1 0.749 0.003 . . . . . . . . . . 15364 1 21 . 1 1 23 23 ARG N N 15 . 1 1 23 23 ARG H H 1 0.710 0.014 . . . . . . . . . . 15364 1 22 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.719 0.009 . . . . . . . . . . 15364 1 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.658 0.002 . . . . . . . . . . 15364 1 24 . 1 1 27 27 ARG N N 15 . 1 1 27 27 ARG H H 1 0.725 0.012 . . . . . . . . . . 15364 1 25 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 0.640 0.016 . . . . . . . . . . 15364 1 26 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.447 0.003 . . . . . . . . . . 15364 1 27 . 1 1 30 30 CYS N N 15 . 1 1 30 30 CYS H H 1 0.660 0.007 . . . . . . . . . . 15364 1 28 . 1 1 31 31 TRP N N 15 . 1 1 31 31 TRP H H 1 0.719 0.002 . . . . . . . . . . 15364 1 29 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.720 0.036 . . . . . . . . . . 15364 1 30 . 1 1 33 33 CYS N N 15 . 1 1 33 33 CYS H H 1 0.716 0.000 . . . . . . . . . . 15364 1 31 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.720 0.011 . . . . . . . . . . 15364 1 32 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.779 0.028 . . . . . . . . . . 15364 1 33 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.693 0.002 . . . . . . . . . . 15364 1 34 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.725 0.007 . . . . . . . . . . 15364 1 35 . 1 1 38 38 HIS N N 15 . 1 1 38 38 HIS H H 1 0.663 0.006 . . . . . . . . . . 15364 1 36 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.643 0.000 . . . . . . . . . . 15364 1 37 . 1 1 40 40 MET N N 15 . 1 1 40 40 MET H H 1 0.621 0.026 . . . . . . . . . . 15364 1 38 . 1 1 41 41 ALA N N 15 . 1 1 41 41 ALA H H 1 0.740 0.002 . . . . . . . . . . 15364 1 39 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.683 0.006 . . . . . . . . . . 15364 1 40 . 1 1 43 43 CYS N N 15 . 1 1 43 43 CYS H H 1 0.666 0.003 . . . . . . . . . . 15364 1 41 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.641 0.004 . . . . . . . . . . 15364 1 42 . 1 1 46 46 ARG N N 15 . 1 1 46 46 ARG H H 1 0.254 0.360 . . . . . . . . . . 15364 1 43 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.000 0.000 . . . . . . . . . . 15364 1 44 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 -0.742 0.001 . . . . . . . . . . 15364 1 45 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 -1.293 0.018 . . . . . . . . . . 15364 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15364 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 18 '15N T1' . . . 15364 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 GLN N N 15 882.56 48.64 . . . . . 15364 1 2 . 1 1 3 3 GLN N N 15 815.48 3.66 . . . . . 15364 1 3 . 1 1 4 4 ARG N N 15 682.57 2.11 . . . . . 15364 1 4 . 1 1 5 5 LYS N N 15 609.97 4.61 . . . . . 15364 1 5 . 1 1 6 6 VAL N N 15 578.32 3.52 . . . . . 15364 1 6 . 1 1 7 7 ILE N N 15 533.97 2.21 . . . . . 15364 1 7 . 1 1 8 8 ARG N N 15 466.63 3.62 . . . . . 15364 1 8 . 1 1 9 9 CYS N N 15 441.13 8.11 . . . . . 15364 1 9 . 1 1 10 10 TRP N N 15 411.84 2.86 . . . . . 15364 1 10 . 1 1 11 11 ASN N N 15 451.53 0.14 . . . . . 15364 1 11 . 1 1 12 12 CYS N N 15 453.70 0.11 . . . . . 15364 1 12 . 1 1 13 13 GLY N N 15 410.32 0.65 . . . . . 15364 1 13 . 1 1 14 14 LYS N N 15 454.88 2.51 . . . . . 15364 1 14 . 1 1 15 15 GLU N N 15 474.95 5.02 . . . . . 15364 1 15 . 1 1 16 16 GLY N N 15 463.03 6.95 . . . . . 15364 1 16 . 1 1 17 17 HIS N N 15 430.66 3.92 . . . . . 15364 1 17 . 1 1 18 18 SER N N 15 439.13 3.83 . . . . . 15364 1 18 . 1 1 19 19 ALA N N 15 435.79 4.47 . . . . . 15364 1 19 . 1 1 20 20 ARG N N 15 435.45 2.72 . . . . . 15364 1 20 . 1 1 21 21 GLN N N 15 444.58 0.38 . . . . . 15364 1 21 . 1 1 22 22 CYS N N 15 452.51 2.06 . . . . . 15364 1 22 . 1 1 23 23 ARG N N 15 469.65 3.45 . . . . . 15364 1 23 . 1 1 24 24 ALA N N 15 457.92 5.20 . . . . . 15364 1 24 . 1 1 26 26 ARG N N 15 473.24 1.73 . . . . . 15364 1 25 . 1 1 27 27 ARG N N 15 487.51 1.81 . . . . . 15364 1 26 . 1 1 28 28 GLN N N 15 475.30 4.80 . . . . . 15364 1 27 . 1 1 29 29 GLY N N 15 525.24 4.10 . . . . . 15364 1 28 . 1 1 30 30 CYS N N 15 448.39 10.37 . . . . . 15364 1 29 . 1 1 31 31 TRP N N 15 427.36 9.81 . . . . . 15364 1 30 . 1 1 32 32 LYS N N 15 443.84 3.83 . . . . . 15364 1 31 . 1 1 33 33 CYS N N 15 458.19 6.69 . . . . . 15364 1 32 . 1 1 34 34 GLY N N 15 412.43 5.61 . . . . . 15364 1 33 . 1 1 35 35 LYS N N 15 432.30 2.95 . . . . . 15364 1 34 . 1 1 36 36 THR N N 15 468.98 0.26 . . . . . 15364 1 35 . 1 1 37 37 GLY N N 15 445.27 1.71 . . . . . 15364 1 36 . 1 1 38 38 HIS N N 15 418.70 1.11 . . . . . 15364 1 37 . 1 1 39 39 VAL N N 15 463.89 2.80 . . . . . 15364 1 38 . 1 1 40 40 MET N N 15 450.05 3.09 . . . . . 15364 1 39 . 1 1 41 41 ALA N N 15 433.58 2.63 . . . . . 15364 1 40 . 1 1 42 42 LYS N N 15 463.08 0.29 . . . . . 15364 1 41 . 1 1 43 43 CYS N N 15 449.54 3.40 . . . . . 15364 1 42 . 1 1 45 45 GLU N N 15 450.85 3.23 . . . . . 15364 1 43 . 1 1 46 46 ARG N N 15 489.90 1.04 . . . . . 15364 1 44 . 1 1 47 47 GLN N N 15 534.68 3.36 . . . . . 15364 1 45 . 1 1 48 48 ALA N N 15 692.14 6.13 . . . . . 15364 1 46 . 1 1 49 49 GLY N N 15 1170.37 12.67 . . . . . 15364 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15364 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '15N T2' . . . 15364 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 GLN N N 15 170.05 1.07 . . . . . . . 15364 1 2 . 1 1 3 3 GLN N N 15 290.82 1.27 . . . . . . . 15364 1 3 . 1 1 4 4 ARG N N 15 284.45 0.82 . . . . . . . 15364 1 4 . 1 1 5 5 LYS N N 15 288.31 1.37 . . . . . . . 15364 1 5 . 1 1 6 6 VAL N N 15 275.41 0.73 . . . . . . . 15364 1 6 . 1 1 7 7 ILE N N 15 212.40 0.74 . . . . . . . 15364 1 7 . 1 1 8 8 ARG N N 15 175.02 1.52 . . . . . . . 15364 1 8 . 1 1 9 9 CYS N N 15 146.33 0.75 . . . . . . . 15364 1 9 . 1 1 10 10 TRP N N 15 143.87 0.55 . . . . . . . 15364 1 10 . 1 1 11 11 ASN N N 15 118.45 1.56 . . . . . . . 15364 1 11 . 1 1 12 12 CYS N N 15 130.35 0.70 . . . . . . . 15364 1 12 . 1 1 13 13 GLY N N 15 135.16 0.10 . . . . . . . 15364 1 13 . 1 1 14 14 LYS N N 15 129.27 1.25 . . . . . . . 15364 1 14 . 1 1 15 15 GLU N N 15 148.94 0.82 . . . . . . . 15364 1 15 . 1 1 16 16 GLY N N 15 131.92 0.68 . . . . . . . 15364 1 16 . 1 1 17 17 HIS N N 15 138.06 0.17 . . . . . . . 15364 1 17 . 1 1 18 18 SER N N 15 140.15 0.53 . . . . . . . 15364 1 18 . 1 1 19 19 ALA N N 15 133.81 0.62 . . . . . . . 15364 1 19 . 1 1 20 20 ARG N N 15 116.37 0.05 . . . . . . . 15364 1 20 . 1 1 21 21 GLN N N 15 136.07 0.79 . . . . . . . 15364 1 21 . 1 1 22 22 CYS N N 15 148.03 1.05 . . . . . . . 15364 1 22 . 1 1 23 23 ARG N N 15 125.19 0.29 . . . . . . . 15364 1 23 . 1 1 24 24 ALA N N 15 135.58 0.84 . . . . . . . 15364 1 24 . 1 1 26 26 ARG N N 15 154.15 0.46 . . . . . . . 15364 1 25 . 1 1 27 27 ARG N N 15 145.17 0.02 . . . . . . . 15364 1 26 . 1 1 28 28 GLN N N 15 163.05 0.42 . . . . . . . 15364 1 27 . 1 1 29 29 GLY N N 15 193.61 0.33 . . . . . . . 15364 1 28 . 1 1 30 30 CYS N N 15 152.13 2.47 . . . . . . . 15364 1 29 . 1 1 31 31 TRP N N 15 126.53 0.46 . . . . . . . 15364 1 30 . 1 1 32 32 LYS N N 15 130.26 1.00 . . . . . . . 15364 1 31 . 1 1 33 33 CYS N N 15 129.42 1.02 . . . . . . . 15364 1 32 . 1 1 34 34 GLY N N 15 114.34 0.52 . . . . . . . 15364 1 33 . 1 1 35 35 LYS N N 15 96.32 1.71 . . . . . . . 15364 1 34 . 1 1 36 36 THR N N 15 147.50 0.23 . . . . . . . 15364 1 35 . 1 1 37 37 GLY N N 15 107.43 0.03 . . . . . . . 15364 1 36 . 1 1 38 38 HIS N N 15 103.27 0.31 . . . . . . . 15364 1 37 . 1 1 39 39 VAL N N 15 77.55 0.41 . . . . . . . 15364 1 38 . 1 1 40 40 MET N N 15 132.94 0.54 . . . . . . . 15364 1 39 . 1 1 41 41 ALA N N 15 128.46 0.60 . . . . . . . 15364 1 40 . 1 1 42 42 LYS N N 15 123.99 0.86 . . . . . . . 15364 1 41 . 1 1 43 43 CYS N N 15 150.10 1.99 . . . . . . . 15364 1 42 . 1 1 45 45 GLU N N 15 151.78 0.73 . . . . . . . 15364 1 43 . 1 1 46 46 ARG N N 15 195.47 0.11 . . . . . . . 15364 1 44 . 1 1 47 47 GLN N N 15 213.50 0.17 . . . . . . . 15364 1 45 . 1 1 48 48 ALA N N 15 309.65 0.85 . . . . . . . 15364 1 46 . 1 1 49 49 GLY N N 15 712.11 5.05 . . . . . . . 15364 1 stop_ save_