data_25145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25145 _Entry.Title ; Solution structure of the B1 box monomer of the tripartite 19 from human. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-12 _Entry.Accession_date 2014-08-12 _Entry.Last_release_date 2014-08-20 _Entry.Original_release_date 2014-08-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Shu-Yu Huang . . . . 25145 2 Mandar Naik . T. . . 25145 3 Ying-Hui Wang . . . . 25145 4 Tai-Huang Huang . . . . 25145 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' . 25145 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'B box' . 25145 PML . 25145 TRIM19 . 25145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 25145 '15N chemical shifts' 54 25145 '1H chemical shifts' 337 25145 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 . . 2019-07-11 . original BMRB . 25145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25143 'RING finger of the tripartite 19' 25145 PDB 2MT1 'BMRB Entry Tracking System' 25145 stop_ save_ ############### # Citations # ############### save_PML_B1_box_monomer _Citation.Sf_category citations _Citation.Sf_framecode PML_B1_box_monomer _Citation.Entry_ID 25145 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25627356 _Citation.Full_citation . _Citation.Title ; The RING domain of human promyelocytic leukemia protein (PML). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 61 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 173 _Citation.Page_last 180 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shu-Yu Huang S. Y. . . 25145 1 2 Chi-Fon Chang C. F. . . 25145 1 3 Pei-Ju Fang P. J. . . 25145 1 4 Mandar Naik M. T. . . 25145 1 5 Peter Guntert P. . . . 25145 1 6 Hsiu-Ming Shih H. M. . . 25145 1 7 Tai-Huang Huang T. H. . . 25145 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25145 _Assembly.ID 1 _Assembly.Name 'B1 box monomer of the tripartite 19' _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 entity_1 1 $entity_1 A . yes native no no . . . 25145 1 2 'ZINC ION_1' 2 $entity_ZN B . yes native no no . . . 25145 1 3 'ZINC ION_2' 2 $entity_ZN C . yes native no no . . . 25145 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 12 12 SG . 2 . 2 ZN 1 1 ZN . . . 129 CYS SG . . . 1 ZN ZN 25145 1 2 coordinate single . 1 . 1 CYS 15 15 SG . 2 . 2 ZN 1 1 ZN . . . 132 CYS SG . . . 1 ZN ZN 25145 1 3 coordinate single . 1 . 1 CYS 31 31 SG . 2 . 2 ZN 1 1 ZN . . . 148 CYS SG . . . 1 ZN ZN 25145 1 4 coordinate single . 1 . 1 CYS 34 34 SG . 2 . 2 ZN 1 1 ZN . . . 151 CYS SG . . . 1 ZN ZN 25145 1 5 coordinate single . 1 . 1 CYS 23 23 SG . 3 . 2 ZN 1 1 ZN . . . 140 CYS SG . . . 1 ZN ZN 25145 1 6 coordinate single . 1 . 1 CYS 26 26 SG . 3 . 2 ZN 1 1 ZN . . . 143 CYS SG . . . 1 ZN ZN 25145 1 7 coordinate single . 1 . 1 HIS 38 38 HE2 . 3 . 2 ZN 1 1 ZN . . . 155 CYS SG . . . 1 ZN ZN 25145 1 8 coordinate single . 1 . 1 HIS 44 44 HE2 . 3 . 2 ZN 1 1 ZN . . . 161 CYS SG . . . 1 ZN ZN 25145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSRQIVDAQAVCTRCKESAD FWCFECEQLLCAKCFEAHQW FLKHEARPLAE ; _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 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5941.833 _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 1 118 GLY . 25145 1 2 119 SER . 25145 1 3 120 ARG . 25145 1 4 121 GLN . 25145 1 5 122 ILE . 25145 1 6 123 VAL . 25145 1 7 124 ASP . 25145 1 8 125 ALA . 25145 1 9 126 GLN . 25145 1 10 127 ALA . 25145 1 11 128 VAL . 25145 1 12 129 CYS . 25145 1 13 130 THR . 25145 1 14 131 ARG . 25145 1 15 132 CYS . 25145 1 16 133 LYS . 25145 1 17 134 GLU . 25145 1 18 135 SER . 25145 1 19 136 ALA . 25145 1 20 137 ASP . 25145 1 21 138 PHE . 25145 1 22 139 TRP . 25145 1 23 140 CYS . 25145 1 24 141 PHE . 25145 1 25 142 GLU . 25145 1 26 143 CYS . 25145 1 27 144 GLU . 25145 1 28 145 GLN . 25145 1 29 146 LEU . 25145 1 30 147 LEU . 25145 1 31 148 CYS . 25145 1 32 149 ALA . 25145 1 33 150 LYS . 25145 1 34 151 CYS . 25145 1 35 152 PHE . 25145 1 36 153 GLU . 25145 1 37 154 ALA . 25145 1 38 155 HIS . 25145 1 39 156 GLN . 25145 1 40 157 TRP . 25145 1 41 158 PHE . 25145 1 42 159 LEU . 25145 1 43 160 LYS . 25145 1 44 161 HIS . 25145 1 45 162 GLU . 25145 1 46 163 ALA . 25145 1 47 164 ARG . 25145 1 48 165 PRO . 25145 1 49 166 LEU . 25145 1 50 167 ALA . 25145 1 51 168 GLU . 25145 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25145 1 . SER 2 2 25145 1 . ARG 3 3 25145 1 . GLN 4 4 25145 1 . ILE 5 5 25145 1 . VAL 6 6 25145 1 . ASP 7 7 25145 1 . ALA 8 8 25145 1 . GLN 9 9 25145 1 . ALA 10 10 25145 1 . VAL 11 11 25145 1 . CYS 12 12 25145 1 . THR 13 13 25145 1 . ARG 14 14 25145 1 . CYS 15 15 25145 1 . LYS 16 16 25145 1 . GLU 17 17 25145 1 . SER 18 18 25145 1 . ALA 19 19 25145 1 . ASP 20 20 25145 1 . PHE 21 21 25145 1 . TRP 22 22 25145 1 . CYS 23 23 25145 1 . PHE 24 24 25145 1 . GLU 25 25 25145 1 . CYS 26 26 25145 1 . GLU 27 27 25145 1 . GLN 28 28 25145 1 . LEU 29 29 25145 1 . LEU 30 30 25145 1 . CYS 31 31 25145 1 . ALA 32 32 25145 1 . LYS 33 33 25145 1 . CYS 34 34 25145 1 . PHE 35 35 25145 1 . GLU 36 36 25145 1 . ALA 37 37 25145 1 . HIS 38 38 25145 1 . GLN 39 39 25145 1 . TRP 40 40 25145 1 . PHE 41 41 25145 1 . LEU 42 42 25145 1 . LYS 43 43 25145 1 . HIS 44 44 25145 1 . GLU 45 45 25145 1 . ALA 46 46 25145 1 . ARG 47 47 25145 1 . PRO 48 48 25145 1 . LEU 49 49 25145 1 . ALA 50 50 25145 1 . GLU 51 51 25145 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25145 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25145 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25145 2 ZN 'Three letter code' 25145 2 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 1 ZN $chem_comp_ZN 25145 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 25145 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25145 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 25145 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX4T-1 . . . 25145 1 2 2 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25145 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 25145 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 25145 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25145 ZN [Zn++] SMILES CACTVS 3.341 25145 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25145 ZN [Zn+2] SMILES ACDLabs 10.04 25145 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25145 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25145 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 25145 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25145 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25145 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25145 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'PML B1 box' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25145 1 2 TRIS '[U-99% 2H]' . . . . . . 25 . . mM . . . . 25145 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25145 1 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25145 1 5 'zinc chloride' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 25145 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25145 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25145 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25145 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'PML B1 box' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25145 2 2 TRIS '[U-99% 2H]' . . . . . . 25 . . mM . . . . 25145 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25145 2 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25145 2 5 'zinc chloride' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 25145 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25145 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25145 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'PML B1 box' 'natural abundance' . . 1 $entity_1 . . 0.1 . . mM . . . . 25145 3 2 TRIS '[U-99% 2H]' . . . . . . 25 . . mM . . . . 25145 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25145 3 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25145 3 5 'zinc chloride' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 25145 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25145 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25145 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 25145 _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 7.0 . pH 25145 1 pressure 1 . atm 25145 1 temperature 298 . K 25145 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25145 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25145 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25145 _Software.ID 2 _Software.Type . _Software.Name X-PLOR_NIH _Software.Version 2.26 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25145 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25145 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25145 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25145 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25145 3 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 25145 _Software.ID 4 _Software.Type . _Software.Name Procheck _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 25145 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25145 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25145 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version 1.2009.0721.18 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25145 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Torsion angles prediction' 25145 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25145 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25145 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _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 25145 _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 'Uniform NMR System' . 600 'equipped with a cryoprobe' . . 25145 1 2 spectrometer_2 Bruker 'Uniform NMR System' . 800 'equipped with a cryoprobe' . . 25145 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 25145 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25145 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25145 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25145 1 12 '2D 1H-1H COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25145 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25145 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 25145 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25145 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25145 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25145 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 25145 _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 1 '2D 1H-15N HSQC' . . . 25145 1 2 '2D 1H-13C HSQC' . . . 25145 1 3 '3D CBCA(CO)NH' . . . 25145 1 4 '3D HNCO' . . . 25145 1 5 '3D HNCA' . . . 25145 1 6 '3D HNCACB' . . . 25145 1 7 '3D H(CCO)NH' . . . 25145 1 9 '3D 1H-15N TOCSY' . . . 25145 1 13 '3D C(CO)NH' . . . 25145 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 3 $SPARKY . . 25145 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.Ambiguity_set_ID _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 GLY HA2 H 1 3.885 0.040 . 2 . . . . . 118 GLY HA2 . 25145 1 2 . 1 1 1 1 GLY HA3 H 1 3.885 0.040 . 2 . . . . . 118 GLY HA3 . 25145 1 3 . 1 1 1 1 GLY CA C 13 43.468 0.400 . 1 . . . . . 118 GLY CA . 25145 1 4 . 1 1 2 2 SER HA H 1 4.516 0.040 . 1 . . . . . 119 SER HA . 25145 1 5 . 1 1 2 2 SER HB2 H 1 3.873 0.040 . 2 . . . . . 119 SER HB2 . 25145 1 6 . 1 1 2 2 SER HB3 H 1 3.873 0.040 . 2 . . . . . 119 SER HB3 . 25145 1 7 . 1 1 2 2 SER C C 13 174.373 0.400 . 1 . . . . . 119 SER C . 25145 1 8 . 1 1 2 2 SER CA C 13 58.252 0.400 . 1 . . . . . 119 SER CA . 25145 1 9 . 1 1 2 2 SER CB C 13 63.971 0.400 . 1 . . . . . 119 SER CB . 25145 1 10 . 1 1 3 3 ARG H H 1 8.443 0.040 . 1 . . . . . 120 ARG H . 25145 1 11 . 1 1 3 3 ARG HA H 1 4.274 0.040 . 1 . . . . . 120 ARG HA . 25145 1 12 . 1 1 3 3 ARG HB2 H 1 1.751 0.040 . 2 . . . . . 120 ARG HB2 . 25145 1 13 . 1 1 3 3 ARG HB3 H 1 1.609 0.040 . 2 . . . . . 120 ARG HB3 . 25145 1 14 . 1 1 3 3 ARG HG2 H 1 1.504 0.040 . 2 . . . . . 120 ARG HG2 . 25145 1 15 . 1 1 3 3 ARG HG3 H 1 1.504 0.040 . 2 . . . . . 120 ARG HG3 . 25145 1 16 . 1 1 3 3 ARG HD2 H 1 3.104 0.040 . 2 . . . . . 120 ARG HD2 . 25145 1 17 . 1 1 3 3 ARG HD3 H 1 3.104 0.040 . 2 . . . . . 120 ARG HD3 . 25145 1 18 . 1 1 3 3 ARG C C 13 175.956 0.400 . 1 . . . . . 120 ARG C . 25145 1 19 . 1 1 3 3 ARG CA C 13 56.338 0.400 . 1 . . . . . 120 ARG CA . 25145 1 20 . 1 1 3 3 ARG CB C 13 30.828 0.400 . 1 . . . . . 120 ARG CB . 25145 1 21 . 1 1 3 3 ARG CG C 13 27.041 0.400 . 1 . . . . . 120 ARG CG . 25145 1 22 . 1 1 3 3 ARG CD C 13 43.233 0.400 . 1 . . . . . 120 ARG CD . 25145 1 23 . 1 1 3 3 ARG N N 15 122.929 0.400 . 1 . . . . . 120 ARG N . 25145 1 24 . 1 1 4 4 GLN H H 1 8.402 0.040 . 1 . . . . . 121 GLN H . 25145 1 25 . 1 1 4 4 GLN HA H 1 4.255 0.040 . 1 . . . . . 121 GLN HA . 25145 1 26 . 1 1 4 4 GLN HB2 H 1 1.963 0.040 . 2 . . . . . 121 GLN HB2 . 25145 1 27 . 1 1 4 4 GLN HB3 H 1 1.963 0.040 . 2 . . . . . 121 GLN HB3 . 25145 1 28 . 1 1 4 4 GLN HG2 H 1 2.245 0.040 . 2 . . . . . 121 GLN HG2 . 25145 1 29 . 1 1 4 4 GLN HG3 H 1 2.245 0.040 . 2 . . . . . 121 GLN HG3 . 25145 1 30 . 1 1 4 4 GLN HE21 H 1 6.805 0.040 . 2 . . . . . 121 GLN HE21 . 25145 1 31 . 1 1 4 4 GLN HE22 H 1 7.456 0.040 . 2 . . . . . 121 GLN HE22 . 25145 1 32 . 1 1 4 4 GLN C C 13 175.601 0.400 . 1 . . . . . 121 GLN C . 25145 1 33 . 1 1 4 4 GLN CA C 13 55.860 0.400 . 1 . . . . . 121 GLN CA . 25145 1 34 . 1 1 4 4 GLN CB C 13 29.407 0.400 . 1 . . . . . 121 GLN CB . 25145 1 35 . 1 1 4 4 GLN CG C 13 33.872 0.400 . 1 . . . . . 121 GLN CG . 25145 1 36 . 1 1 4 4 GLN N N 15 122.311 0.400 . 1 . . . . . 121 GLN N . 25145 1 37 . 1 1 4 4 GLN NE2 N 15 112.410 0.400 . 1 . . . . . 121 GLN NE2 . 25145 1 38 . 1 1 5 5 ILE H H 1 8.134 0.040 . 1 . . . . . 122 ILE H . 25145 1 39 . 1 1 5 5 ILE HA H 1 4.087 0.040 . 1 . . . . . 122 ILE HA . 25145 1 40 . 1 1 5 5 ILE HB H 1 1.767 0.040 . 1 . . . . . 122 ILE HB . 25145 1 41 . 1 1 5 5 ILE HG12 H 1 1.400 0.040 . 2 . . . . . 122 ILE HG12 . 25145 1 42 . 1 1 5 5 ILE HG13 H 1 1.091 0.040 . 2 . . . . . 122 ILE HG13 . 25145 1 43 . 1 1 5 5 ILE HG21 H 1 0.813 0.040 . 1 . . . . . 122 ILE HG21 . 25145 1 44 . 1 1 5 5 ILE HG22 H 1 0.813 0.040 . 1 . . . . . 122 ILE HG22 . 25145 1 45 . 1 1 5 5 ILE HG23 H 1 0.813 0.040 . 1 . . . . . 122 ILE HG23 . 25145 1 46 . 1 1 5 5 ILE HD11 H 1 0.787 0.040 . 1 . . . . . 122 ILE HD11 . 25145 1 47 . 1 1 5 5 ILE HD12 H 1 0.787 0.040 . 1 . . . . . 122 ILE HD12 . 25145 1 48 . 1 1 5 5 ILE HD13 H 1 0.787 0.040 . 1 . . . . . 122 ILE HD13 . 25145 1 49 . 1 1 5 5 ILE C C 13 176.028 0.400 . 1 . . . . . 122 ILE C . 25145 1 50 . 1 1 5 5 ILE CA C 13 60.997 0.400 . 1 . . . . . 122 ILE CA . 25145 1 51 . 1 1 5 5 ILE CB C 13 38.487 0.400 . 1 . . . . . 122 ILE CB . 25145 1 52 . 1 1 5 5 ILE CG1 C 13 27.224 0.400 . 1 . . . . . 122 ILE CG1 . 25145 1 53 . 1 1 5 5 ILE CG2 C 13 17.475 0.400 . 1 . . . . . 122 ILE CG2 . 25145 1 54 . 1 1 5 5 ILE CD1 C 13 12.664 0.400 . 1 . . . . . 122 ILE CD1 . 25145 1 55 . 1 1 5 5 ILE N N 15 122.800 0.400 . 1 . . . . . 122 ILE N . 25145 1 56 . 1 1 6 6 VAL H H 1 8.093 0.040 . 1 . . . . . 123 VAL H . 25145 1 57 . 1 1 6 6 VAL HA H 1 4.063 0.040 . 1 . . . . . 123 VAL HA . 25145 1 58 . 1 1 6 6 VAL HB H 1 2.005 0.040 . 1 . . . . . 123 VAL HB . 25145 1 59 . 1 1 6 6 VAL HG11 H 1 0.861 0.040 . 2 . . . . . 123 VAL HG11 . 25145 1 60 . 1 1 6 6 VAL HG12 H 1 0.861 0.040 . 2 . . . . . 123 VAL HG12 . 25145 1 61 . 1 1 6 6 VAL HG13 H 1 0.861 0.040 . 2 . . . . . 123 VAL HG13 . 25145 1 62 . 1 1 6 6 VAL HG21 H 1 0.850 0.040 . 2 . . . . . 123 VAL HG21 . 25145 1 63 . 1 1 6 6 VAL HG22 H 1 0.850 0.040 . 2 . . . . . 123 VAL HG22 . 25145 1 64 . 1 1 6 6 VAL HG23 H 1 0.850 0.040 . 2 . . . . . 123 VAL HG23 . 25145 1 65 . 1 1 6 6 VAL C C 13 175.544 0.400 . 1 . . . . . 123 VAL C . 25145 1 66 . 1 1 6 6 VAL CA C 13 62.081 0.400 . 1 . . . . . 123 VAL CA . 25145 1 67 . 1 1 6 6 VAL CB C 13 32.741 0.400 . 1 . . . . . 123 VAL CB . 25145 1 68 . 1 1 6 6 VAL CG1 C 13 21.152 0.400 . 2 . . . . . 123 VAL CG1 . 25145 1 69 . 1 1 6 6 VAL CG2 C 13 20.376 0.400 . 2 . . . . . 123 VAL CG2 . 25145 1 70 . 1 1 6 6 VAL N N 15 123.781 0.400 . 1 . . . . . 123 VAL N . 25145 1 71 . 1 1 7 7 ASP H H 1 8.218 0.040 . 1 . . . . . 124 ASP H . 25145 1 72 . 1 1 7 7 ASP HA H 1 4.539 0.040 . 1 . . . . . 124 ASP HA . 25145 1 73 . 1 1 7 7 ASP HB2 H 1 2.680 0.040 . 2 . . . . . 124 ASP HB2 . 25145 1 74 . 1 1 7 7 ASP HB3 H 1 2.598 0.040 . 2 . . . . . 124 ASP HB3 . 25145 1 75 . 1 1 7 7 ASP C C 13 175.736 0.400 . 1 . . . . . 124 ASP C . 25145 1 76 . 1 1 7 7 ASP CA C 13 54.182 0.400 . 1 . . . . . 124 ASP CA . 25145 1 77 . 1 1 7 7 ASP CB C 13 41.273 0.400 . 1 . . . . . 124 ASP CB . 25145 1 78 . 1 1 7 7 ASP N N 15 124.076 0.400 . 1 . . . . . 124 ASP N . 25145 1 79 . 1 1 8 8 ALA H H 1 8.180 0.040 . 1 . . . . . 125 ALA H . 25145 1 80 . 1 1 8 8 ALA HA H 1 4.228 0.040 . 1 . . . . . 125 ALA HA . 25145 1 81 . 1 1 8 8 ALA HB1 H 1 1.381 0.040 . 1 . . . . . 125 ALA HB1 . 25145 1 82 . 1 1 8 8 ALA HB2 H 1 1.381 0.040 . 1 . . . . . 125 ALA HB2 . 25145 1 83 . 1 1 8 8 ALA HB3 H 1 1.381 0.040 . 1 . . . . . 125 ALA HB3 . 25145 1 84 . 1 1 8 8 ALA C C 13 177.525 0.400 . 1 . . . . . 125 ALA C . 25145 1 85 . 1 1 8 8 ALA CA C 13 52.807 0.400 . 1 . . . . . 125 ALA CA . 25145 1 86 . 1 1 8 8 ALA CB C 13 19.142 0.400 . 1 . . . . . 125 ALA CB . 25145 1 87 . 1 1 8 8 ALA N N 15 124.017 0.400 . 1 . . . . . 125 ALA N . 25145 1 88 . 1 1 9 9 GLN H H 1 8.236 0.040 . 1 . . . . . 126 GLN H . 25145 1 89 . 1 1 9 9 GLN HA H 1 4.275 0.040 . 1 . . . . . 126 GLN HA . 25145 1 90 . 1 1 9 9 GLN HB2 H 1 1.969 0.040 . 2 . . . . . 126 GLN HB2 . 25145 1 91 . 1 1 9 9 GLN HB3 H 1 1.969 0.040 . 2 . . . . . 126 GLN HB3 . 25145 1 92 . 1 1 9 9 GLN HG2 H 1 2.327 0.040 . 2 . . . . . 126 GLN HG2 . 25145 1 93 . 1 1 9 9 GLN HG3 H 1 2.327 0.040 . 2 . . . . . 126 GLN HG3 . 25145 1 94 . 1 1 9 9 GLN HE21 H 1 6.827 0.040 . 2 . . . . . 126 GLN HE21 . 25145 1 95 . 1 1 9 9 GLN HE22 H 1 7.566 0.040 . 2 . . . . . 126 GLN HE22 . 25145 1 96 . 1 1 9 9 GLN C C 13 175.476 0.400 . 1 . . . . . 126 GLN C . 25145 1 97 . 1 1 9 9 GLN CA C 13 55.585 0.400 . 1 . . . . . 126 GLN CA . 25145 1 98 . 1 1 9 9 GLN CB C 13 29.361 0.400 . 1 . . . . . 126 GLN CB . 25145 1 99 . 1 1 9 9 GLN CG C 13 33.960 0.400 . 1 . . . . . 126 GLN CG . 25145 1 100 . 1 1 9 9 GLN N N 15 118.017 0.400 . 1 . . . . . 126 GLN N . 25145 1 101 . 1 1 9 9 GLN NE2 N 15 112.557 0.400 . 1 . . . . . 126 GLN NE2 . 25145 1 102 . 1 1 10 10 ALA H H 1 8.190 0.040 . 1 . . . . . 127 ALA H . 25145 1 103 . 1 1 10 10 ALA HA H 1 4.384 0.040 . 1 . . . . . 127 ALA HA . 25145 1 104 . 1 1 10 10 ALA HB1 H 1 1.309 0.040 . 1 . . . . . 127 ALA HB1 . 25145 1 105 . 1 1 10 10 ALA HB2 H 1 1.309 0.040 . 1 . . . . . 127 ALA HB2 . 25145 1 106 . 1 1 10 10 ALA HB3 H 1 1.309 0.040 . 1 . . . . . 127 ALA HB3 . 25145 1 107 . 1 1 10 10 ALA C C 13 176.877 0.400 . 1 . . . . . 127 ALA C . 25145 1 108 . 1 1 10 10 ALA CA C 13 51.931 0.400 . 1 . . . . . 127 ALA CA . 25145 1 109 . 1 1 10 10 ALA CB C 13 19.383 0.400 . 1 . . . . . 127 ALA CB . 25145 1 110 . 1 1 10 10 ALA N N 15 125.934 0.400 . 1 . . . . . 127 ALA N . 25145 1 111 . 1 1 11 11 VAL H H 1 8.090 0.040 . 1 . . . . . 128 VAL H . 25145 1 112 . 1 1 11 11 VAL HA H 1 4.534 0.040 . 1 . . . . . 128 VAL HA . 25145 1 113 . 1 1 11 11 VAL HB H 1 1.840 0.040 . 1 . . . . . 128 VAL HB . 25145 1 114 . 1 1 11 11 VAL HG11 H 1 0.796 0.040 . 2 . . . . . 128 VAL HG11 . 25145 1 115 . 1 1 11 11 VAL HG12 H 1 0.796 0.040 . 2 . . . . . 128 VAL HG12 . 25145 1 116 . 1 1 11 11 VAL HG13 H 1 0.796 0.040 . 2 . . . . . 128 VAL HG13 . 25145 1 117 . 1 1 11 11 VAL HG21 H 1 0.786 0.040 . 2 . . . . . 128 VAL HG21 . 25145 1 118 . 1 1 11 11 VAL HG22 H 1 0.786 0.040 . 2 . . . . . 128 VAL HG22 . 25145 1 119 . 1 1 11 11 VAL HG23 H 1 0.786 0.040 . 2 . . . . . 128 VAL HG23 . 25145 1 120 . 1 1 11 11 VAL C C 13 173.782 0.400 . 1 . . . . . 128 VAL C . 25145 1 121 . 1 1 11 11 VAL CA C 13 59.740 0.400 . 1 . . . . . 128 VAL CA . 25145 1 122 . 1 1 11 11 VAL CB C 13 34.861 0.400 . 1 . . . . . 128 VAL CB . 25145 1 123 . 1 1 11 11 VAL CG1 C 13 21.465 0.400 . 2 . . . . . 128 VAL CG1 . 25145 1 124 . 1 1 11 11 VAL CG2 C 13 18.814 0.400 . 2 . . . . . 128 VAL CG2 . 25145 1 125 . 1 1 11 11 VAL N N 15 119.245 0.400 . 1 . . . . . 128 VAL N . 25145 1 126 . 1 1 12 12 CYS H H 1 9.321 0.040 . 1 . . . . . 129 CYS H . 25145 1 127 . 1 1 12 12 CYS HA H 1 3.834 0.040 . 1 . . . . . 129 CYS HA . 25145 1 128 . 1 1 12 12 CYS HB2 H 1 3.255 0.040 . 2 . . . . . 129 CYS HB2 . 25145 1 129 . 1 1 12 12 CYS HB3 H 1 2.704 0.040 . 2 . . . . . 129 CYS HB3 . 25145 1 130 . 1 1 12 12 CYS CA C 13 59.306 0.400 . 1 . . . . . 129 CYS CA . 25145 1 131 . 1 1 12 12 CYS CB C 13 31.145 0.400 . 1 . . . . . 129 CYS CB . 25145 1 132 . 1 1 12 12 CYS N N 15 124.764 0.400 . 1 . . . . . 129 CYS N . 25145 1 133 . 1 1 13 13 THR HA H 1 4.057 0.040 . 1 . . . . . 130 THR HA . 25145 1 134 . 1 1 13 13 THR HB H 1 4.348 0.040 . 1 . . . . . 130 THR HB . 25145 1 135 . 1 1 13 13 THR HG21 H 1 1.626 0.040 . 1 . . . . . 130 THR HG21 . 25145 1 136 . 1 1 13 13 THR HG22 H 1 1.626 0.040 . 1 . . . . . 130 THR HG22 . 25145 1 137 . 1 1 13 13 THR HG23 H 1 1.626 0.040 . 1 . . . . . 130 THR HG23 . 25145 1 138 . 1 1 13 13 THR C C 13 174.475 0.400 . 1 . . . . . 130 THR C . 25145 1 139 . 1 1 13 13 THR CA C 13 65.880 0.400 . 1 . . . . . 130 THR CA . 25145 1 140 . 1 1 13 13 THR CB C 13 69.861 0.400 . 1 . . . . . 130 THR CB . 25145 1 141 . 1 1 13 13 THR CG2 C 13 22.865 0.400 . 1 . . . . . 130 THR CG2 . 25145 1 142 . 1 1 14 14 ARG H H 1 8.576 0.040 . 1 . . . . . 131 ARG H . 25145 1 143 . 1 1 14 14 ARG HA H 1 4.227 0.040 . 1 . . . . . 131 ARG HA . 25145 1 144 . 1 1 14 14 ARG HB2 H 1 1.963 0.040 . 2 . . . . . 131 ARG HB2 . 25145 1 145 . 1 1 14 14 ARG HB3 H 1 1.963 0.040 . 2 . . . . . 131 ARG HB3 . 25145 1 146 . 1 1 14 14 ARG HG2 H 1 1.725 0.040 . 2 . . . . . 131 ARG HG2 . 25145 1 147 . 1 1 14 14 ARG HG3 H 1 1.725 0.040 . 2 . . . . . 131 ARG HG3 . 25145 1 148 . 1 1 14 14 ARG HD2 H 1 3.220 0.040 . 2 . . . . . 131 ARG HD2 . 25145 1 149 . 1 1 14 14 ARG HD3 H 1 3.220 0.040 . 2 . . . . . 131 ARG HD3 . 25145 1 150 . 1 1 14 14 ARG C C 13 177.105 0.400 . 1 . . . . . 131 ARG C . 25145 1 151 . 1 1 14 14 ARG CA C 13 58.600 0.400 . 1 . . . . . 131 ARG CA . 25145 1 152 . 1 1 14 14 ARG CB C 13 30.268 0.400 . 1 . . . . . 131 ARG CB . 25145 1 153 . 1 1 14 14 ARG CG C 13 26.757 0.400 . 1 . . . . . 131 ARG CG . 25145 1 154 . 1 1 14 14 ARG CD C 13 43.348 0.400 . 1 . . . . . 131 ARG CD . 25145 1 155 . 1 1 14 14 ARG N N 15 121.766 0.400 . 1 . . . . . 131 ARG N . 25145 1 156 . 1 1 15 15 CYS H H 1 8.114 0.040 . 1 . . . . . 132 CYS H . 25145 1 157 . 1 1 15 15 CYS HA H 1 4.902 0.040 . 1 . . . . . 132 CYS HA . 25145 1 158 . 1 1 15 15 CYS HB2 H 1 3.229 0.040 . 2 . . . . . 132 CYS HB2 . 25145 1 159 . 1 1 15 15 CYS HB3 H 1 2.313 0.040 . 2 . . . . . 132 CYS HB3 . 25145 1 160 . 1 1 15 15 CYS C C 13 175.979 0.400 . 1 . . . . . 132 CYS C . 25145 1 161 . 1 1 15 15 CYS CA C 13 58.973 0.400 . 1 . . . . . 132 CYS CA . 25145 1 162 . 1 1 15 15 CYS CB C 13 32.854 0.400 . 1 . . . . . 132 CYS CB . 25145 1 163 . 1 1 15 15 CYS N N 15 118.032 0.400 . 1 . . . . . 132 CYS N . 25145 1 164 . 1 1 16 16 LYS H H 1 7.906 0.040 . 1 . . . . . 133 LYS H . 25145 1 165 . 1 1 16 16 LYS HA H 1 4.144 0.040 . 1 . . . . . 133 LYS HA . 25145 1 166 . 1 1 16 16 LYS HB2 H 1 2.182 0.040 . 2 . . . . . 133 LYS HB2 . 25145 1 167 . 1 1 16 16 LYS HB3 H 1 2.044 0.040 . 2 . . . . . 133 LYS HB3 . 25145 1 168 . 1 1 16 16 LYS HG2 H 1 1.286 0.040 . 2 . . . . . 133 LYS HG2 . 25145 1 169 . 1 1 16 16 LYS HG3 H 1 1.408 0.040 . 2 . . . . . 133 LYS HG3 . 25145 1 170 . 1 1 16 16 LYS HD2 H 1 1.592 0.040 . 2 . . . . . 133 LYS HD2 . 25145 1 171 . 1 1 16 16 LYS HD3 H 1 1.724 0.040 . 2 . . . . . 133 LYS HD3 . 25145 1 172 . 1 1 16 16 LYS HE2 H 1 2.981 0.040 . 2 . . . . . 133 LYS HE2 . 25145 1 173 . 1 1 16 16 LYS HE3 H 1 2.981 0.040 . 2 . . . . . 133 LYS HE3 . 25145 1 174 . 1 1 16 16 LYS C C 13 175.858 0.400 . 1 . . . . . 133 LYS C . 25145 1 175 . 1 1 16 16 LYS CA C 13 58.420 0.400 . 1 . . . . . 133 LYS CA . 25145 1 176 . 1 1 16 16 LYS CB C 13 29.451 0.400 . 1 . . . . . 133 LYS CB . 25145 1 177 . 1 1 16 16 LYS CG C 13 25.468 0.400 . 1 . . . . . 133 LYS CG . 25145 1 178 . 1 1 16 16 LYS CD C 13 28.529 0.400 . 1 . . . . . 133 LYS CD . 25145 1 179 . 1 1 16 16 LYS CE C 13 42.341 0.400 . 1 . . . . . 133 LYS CE . 25145 1 180 . 1 1 16 16 LYS N N 15 116.801 0.400 . 1 . . . . . 133 LYS N . 25145 1 181 . 1 1 17 17 GLU H H 1 8.320 0.040 . 1 . . . . . 134 GLU H . 25145 1 182 . 1 1 17 17 GLU HA H 1 4.507 0.040 . 1 . . . . . 134 GLU HA . 25145 1 183 . 1 1 17 17 GLU HB2 H 1 2.267 0.040 . 2 . . . . . 134 GLU HB2 . 25145 1 184 . 1 1 17 17 GLU HB3 H 1 2.075 0.040 . 2 . . . . . 134 GLU HB3 . 25145 1 185 . 1 1 17 17 GLU HG2 H 1 2.621 0.040 . 2 . . . . . 134 GLU HG2 . 25145 1 186 . 1 1 17 17 GLU HG3 H 1 2.474 0.040 . 2 . . . . . 134 GLU HG3 . 25145 1 187 . 1 1 17 17 GLU C C 13 175.591 0.400 . 1 . . . . . 134 GLU C . 25145 1 188 . 1 1 17 17 GLU CA C 13 56.441 0.400 . 1 . . . . . 134 GLU CA . 25145 1 189 . 1 1 17 17 GLU CB C 13 30.207 0.400 . 1 . . . . . 134 GLU CB . 25145 1 190 . 1 1 17 17 GLU CG C 13 37.532 0.400 . 1 . . . . . 134 GLU CG . 25145 1 191 . 1 1 17 17 GLU N N 15 120.542 0.400 . 1 . . . . . 134 GLU N . 25145 1 192 . 1 1 18 18 SER H H 1 8.743 0.040 . 1 . . . . . 135 SER H . 25145 1 193 . 1 1 18 18 SER HA H 1 4.200 0.040 . 1 . . . . . 135 SER HA . 25145 1 194 . 1 1 18 18 SER HB2 H 1 3.906 0.040 . 2 . . . . . 135 SER HB2 . 25145 1 195 . 1 1 18 18 SER HB3 H 1 3.864 0.040 . 2 . . . . . 135 SER HB3 . 25145 1 196 . 1 1 18 18 SER C C 13 173.845 0.400 . 1 . . . . . 135 SER C . 25145 1 197 . 1 1 18 18 SER CA C 13 60.404 0.400 . 1 . . . . . 135 SER CA . 25145 1 198 . 1 1 18 18 SER CB C 13 62.981 0.400 . 1 . . . . . 135 SER CB . 25145 1 199 . 1 1 18 18 SER N N 15 115.552 0.400 . 1 . . . . . 135 SER N . 25145 1 200 . 1 1 19 19 ALA H H 1 8.010 0.001 . 1 . . . . . 136 ALA H . 25145 1 201 . 1 1 19 19 ALA HA H 1 3.877 0.040 . 1 . . . . . 136 ALA HA . 25145 1 202 . 1 1 19 19 ALA HB1 H 1 1.061 0.040 . 1 . . . . . 136 ALA HB1 . 25145 1 203 . 1 1 19 19 ALA HB2 H 1 1.061 0.040 . 1 . . . . . 136 ALA HB2 . 25145 1 204 . 1 1 19 19 ALA HB3 H 1 1.061 0.040 . 1 . . . . . 136 ALA HB3 . 25145 1 205 . 1 1 19 19 ALA C C 13 174.859 0.400 . 1 . . . . . 136 ALA C . 25145 1 206 . 1 1 19 19 ALA CA C 13 51.948 0.400 . 1 . . . . . 136 ALA CA . 25145 1 207 . 1 1 19 19 ALA CB C 13 21.189 0.400 . 1 . . . . . 136 ALA CB . 25145 1 208 . 1 1 19 19 ALA N N 15 123.966 0.400 . 1 . . . . . 136 ALA N . 25145 1 209 . 1 1 20 20 ASP H H 1 8.258 0.040 . 1 . . . . . 137 ASP H . 25145 1 210 . 1 1 20 20 ASP HA H 1 4.874 0.040 . 1 . . . . . 137 ASP HA . 25145 1 211 . 1 1 20 20 ASP HB2 H 1 2.179 0.040 . 2 . . . . . 137 ASP HB2 . 25145 1 212 . 1 1 20 20 ASP HB3 H 1 2.277 0.040 . 2 . . . . . 137 ASP HB3 . 25145 1 213 . 1 1 20 20 ASP C C 13 174.877 0.400 . 1 . . . . . 137 ASP C . 25145 1 214 . 1 1 20 20 ASP CA C 13 55.116 0.400 . 1 . . . . . 137 ASP CA . 25145 1 215 . 1 1 20 20 ASP CB C 13 46.980 0.400 . 1 . . . . . 137 ASP CB . 25145 1 216 . 1 1 20 20 ASP N N 15 117.152 0.400 . 1 . . . . . 137 ASP N . 25145 1 217 . 1 1 21 21 PHE H H 1 8.615 0.040 . 1 . . . . . 138 PHE H . 25145 1 218 . 1 1 21 21 PHE HA H 1 5.002 0.040 . 1 . . . . . 138 PHE HA . 25145 1 219 . 1 1 21 21 PHE HB2 H 1 2.303 0.040 . 2 . . . . . 138 PHE HB2 . 25145 1 220 . 1 1 21 21 PHE HB3 H 1 2.222 0.040 . 2 . . . . . 138 PHE HB3 . 25145 1 221 . 1 1 21 21 PHE HD1 H 1 6.536 0.040 . 3 . . . . . 138 PHE HD1 . 25145 1 222 . 1 1 21 21 PHE HD2 H 1 6.391 0.040 . 3 . . . . . 138 PHE HD2 . 25145 1 223 . 1 1 21 21 PHE HE1 H 1 7.046 0.040 . 3 . . . . . 138 PHE HE1 . 25145 1 224 . 1 1 21 21 PHE HE2 H 1 7.046 0.040 . 3 . . . . . 138 PHE HE2 . 25145 1 225 . 1 1 21 21 PHE HZ H 1 7.181 0.040 . 1 . . . . . 138 PHE HZ . 25145 1 226 . 1 1 21 21 PHE C C 13 173.297 0.400 . 1 . . . . . 138 PHE C . 25145 1 227 . 1 1 21 21 PHE CA C 13 57.244 0.400 . 1 . . . . . 138 PHE CA . 25145 1 228 . 1 1 21 21 PHE CB C 13 44.932 0.400 . 1 . . . . . 138 PHE CB . 25145 1 229 . 1 1 21 21 PHE N N 15 118.430 0.400 . 1 . . . . . 138 PHE N . 25145 1 230 . 1 1 22 22 TRP H H 1 9.008 0.040 . 1 . . . . . 139 TRP H . 25145 1 231 . 1 1 22 22 TRP HA H 1 5.355 0.040 . 1 . . . . . 139 TRP HA . 25145 1 232 . 1 1 22 22 TRP HB2 H 1 2.941 0.004 . 2 . . . . . 139 TRP HB2 . 25145 1 233 . 1 1 22 22 TRP HB3 H 1 2.806 0.040 . 2 . . . . . 139 TRP HB3 . 25145 1 234 . 1 1 22 22 TRP HD1 H 1 5.972 0.040 . 1 . . . . . 139 TRP HD1 . 25145 1 235 . 1 1 22 22 TRP HE1 H 1 9.561 0.040 . 1 . . . . . 139 TRP HE1 . 25145 1 236 . 1 1 22 22 TRP HE3 H 1 7.248 0.040 . 1 . . . . . 139 TRP HE3 . 25145 1 237 . 1 1 22 22 TRP HZ2 H 1 7.419 0.040 . 1 . . . . . 139 TRP HZ2 . 25145 1 238 . 1 1 22 22 TRP HZ3 H 1 6.919 0.040 . 1 . . . . . 139 TRP HZ3 . 25145 1 239 . 1 1 22 22 TRP HH2 H 1 7.072 0.040 . 1 . . . . . 139 TRP HH2 . 25145 1 240 . 1 1 22 22 TRP C C 13 174.113 0.400 . 1 . . . . . 139 TRP C . 25145 1 241 . 1 1 22 22 TRP CA C 13 55.168 0.400 . 1 . . . . . 139 TRP CA . 25145 1 242 . 1 1 22 22 TRP CB C 13 33.026 0.400 . 1 . . . . . 139 TRP CB . 25145 1 243 . 1 1 22 22 TRP N N 15 121.157 0.400 . 1 . . . . . 139 TRP N . 25145 1 244 . 1 1 22 22 TRP NE1 N 15 128.599 0.400 . 1 . . . . . 139 TRP NE1 . 25145 1 245 . 1 1 23 23 CYS H H 1 7.982 0.040 . 1 . . . . . 140 CYS H . 25145 1 246 . 1 1 23 23 CYS HA H 1 4.653 0.040 . 1 . . . . . 140 CYS HA . 25145 1 247 . 1 1 23 23 CYS HB2 H 1 2.684 0.040 . 2 . . . . . 140 CYS HB2 . 25145 1 248 . 1 1 23 23 CYS HB3 H 1 2.322 0.040 . 2 . . . . . 140 CYS HB3 . 25145 1 249 . 1 1 23 23 CYS C C 13 175.996 0.400 . 1 . . . . . 140 CYS C . 25145 1 250 . 1 1 23 23 CYS CA C 13 58.057 0.400 . 1 . . . . . 140 CYS CA . 25145 1 251 . 1 1 23 23 CYS CB C 13 29.985 0.400 . 1 . . . . . 140 CYS CB . 25145 1 252 . 1 1 23 23 CYS N N 15 126.488 0.400 . 1 . . . . . 140 CYS N . 25145 1 253 . 1 1 24 24 PHE H H 1 8.623 0.040 . 1 . . . . . 141 PHE H . 25145 1 254 . 1 1 24 24 PHE HA H 1 4.054 0.040 . 1 . . . . . 141 PHE HA . 25145 1 255 . 1 1 24 24 PHE HB2 H 1 3.118 0.040 . 2 . . . . . 141 PHE HB2 . 25145 1 256 . 1 1 24 24 PHE HB3 H 1 3.239 0.040 . 2 . . . . . 141 PHE HB3 . 25145 1 257 . 1 1 24 24 PHE HE1 H 1 7.463 0.040 . 3 . . . . . 141 PHE HE1 . 25145 1 258 . 1 1 24 24 PHE HE2 H 1 7.463 0.040 . 3 . . . . . 141 PHE HE2 . 25145 1 259 . 1 1 24 24 PHE C C 13 176.492 0.400 . 1 . . . . . 141 PHE C . 25145 1 260 . 1 1 24 24 PHE CA C 13 60.989 0.400 . 1 . . . . . 141 PHE CA . 25145 1 261 . 1 1 24 24 PHE CB C 13 39.427 0.400 . 1 . . . . . 141 PHE CB . 25145 1 262 . 1 1 24 24 PHE N N 15 127.320 0.400 . 1 . . . . . 141 PHE N . 25145 1 263 . 1 1 25 25 GLU H H 1 8.441 0.040 . 1 . . . . . 142 GLU H . 25145 1 264 . 1 1 25 25 GLU HA H 1 4.050 0.040 . 1 . . . . . 142 GLU HA . 25145 1 265 . 1 1 25 25 GLU HB2 H 1 1.289 0.040 . 2 . . . . . 142 GLU HB2 . 25145 1 266 . 1 1 25 25 GLU HB3 H 1 0.927 0.040 . 2 . . . . . 142 GLU HB3 . 25145 1 267 . 1 1 25 25 GLU HG2 H 1 2.061 0.040 . 2 . . . . . 142 GLU HG2 . 25145 1 268 . 1 1 25 25 GLU HG3 H 1 1.894 0.040 . 2 . . . . . 142 GLU HG3 . 25145 1 269 . 1 1 25 25 GLU C C 13 178.790 0.400 . 1 . . . . . 142 GLU C . 25145 1 270 . 1 1 25 25 GLU CA C 13 59.490 0.400 . 1 . . . . . 142 GLU CA . 25145 1 271 . 1 1 25 25 GLU CB C 13 29.245 0.400 . 1 . . . . . 142 GLU CB . 25145 1 272 . 1 1 25 25 GLU CG C 13 37.618 0.400 . 1 . . . . . 142 GLU CG . 25145 1 273 . 1 1 25 25 GLU N N 15 121.219 0.400 . 1 . . . . . 142 GLU N . 25145 1 274 . 1 1 26 26 CYS H H 1 9.125 0.040 . 1 . . . . . 143 CYS H . 25145 1 275 . 1 1 26 26 CYS HA H 1 4.097 0.040 . 1 . . . . . 143 CYS HA . 25145 1 276 . 1 1 26 26 CYS HB2 H 1 3.011 0.040 . 2 . . . . . 143 CYS HB2 . 25145 1 277 . 1 1 26 26 CYS HB3 H 1 2.629 0.040 . 2 . . . . . 143 CYS HB3 . 25145 1 278 . 1 1 26 26 CYS C C 13 175.405 0.400 . 1 . . . . . 143 CYS C . 25145 1 279 . 1 1 26 26 CYS CA C 13 62.325 0.400 . 1 . . . . . 143 CYS CA . 25145 1 280 . 1 1 26 26 CYS CB C 13 29.885 0.400 . 1 . . . . . 143 CYS CB . 25145 1 281 . 1 1 26 26 CYS N N 15 121.077 0.400 . 1 . . . . . 143 CYS N . 25145 1 282 . 1 1 27 27 GLU H H 1 7.450 0.040 . 1 . . . . . 144 GLU H . 25145 1 283 . 1 1 27 27 GLU HB2 H 1 2.238 0.040 . 2 . . . . . 144 GLU HB2 . 25145 1 284 . 1 1 27 27 GLU HB3 H 1 2.121 0.040 . 2 . . . . . 144 GLU HB3 . 25145 1 285 . 1 1 27 27 GLU HG2 H 1 2.127 0.040 . 2 . . . . . 144 GLU HG2 . 25145 1 286 . 1 1 27 27 GLU HG3 H 1 2.127 0.040 . 2 . . . . . 144 GLU HG3 . 25145 1 287 . 1 1 27 27 GLU C C 13 175.136 0.400 . 1 . . . . . 144 GLU C . 25145 1 288 . 1 1 27 27 GLU CA C 13 56.911 0.400 . 1 . . . . . 144 GLU CA . 25145 1 289 . 1 1 27 27 GLU CB C 13 26.645 0.400 . 1 . . . . . 144 GLU CB . 25145 1 290 . 1 1 27 27 GLU CG C 13 37.272 0.400 . 1 . . . . . 144 GLU CG . 25145 1 291 . 1 1 27 27 GLU N N 15 115.953 0.400 . 1 . . . . . 144 GLU N . 25145 1 292 . 1 1 28 28 GLN H H 1 6.087 0.010 . 1 . . . . . 145 GLN H . 25145 1 293 . 1 1 28 28 GLN HA H 1 4.614 0.040 . 1 . . . . . 145 GLN HA . 25145 1 294 . 1 1 28 28 GLN HB2 H 1 1.398 0.040 . 2 . . . . . 145 GLN HB2 . 25145 1 295 . 1 1 28 28 GLN HB3 H 1 1.398 0.040 . 2 . . . . . 145 GLN HB3 . 25145 1 296 . 1 1 28 28 GLN HG2 H 1 2.403 0.040 . 2 . . . . . 145 GLN HG2 . 25145 1 297 . 1 1 28 28 GLN HG3 H 1 2.403 0.040 . 2 . . . . . 145 GLN HG3 . 25145 1 298 . 1 1 28 28 GLN HE21 H 1 7.277 0.040 . 2 . . . . . 145 GLN HE21 . 25145 1 299 . 1 1 28 28 GLN HE22 H 1 6.549 0.040 . 2 . . . . . 145 GLN HE22 . 25145 1 300 . 1 1 28 28 GLN C C 13 174.620 0.400 . 1 . . . . . 145 GLN C . 25145 1 301 . 1 1 28 28 GLN CA C 13 54.350 0.400 . 1 . . . . . 145 GLN CA . 25145 1 302 . 1 1 28 28 GLN CB C 13 33.406 0.400 . 1 . . . . . 145 GLN CB . 25145 1 303 . 1 1 28 28 GLN CG C 13 34.060 0.400 . 1 . . . . . 145 GLN CG . 25145 1 304 . 1 1 28 28 GLN N N 15 127.950 0.400 . 1 . . . . . 145 GLN N . 25145 1 305 . 1 1 28 28 GLN NE2 N 15 108.769 0.400 . 1 . . . . . 145 GLN NE2 . 25145 1 306 . 1 1 29 29 LEU H H 1 8.176 0.040 . 1 . . . . . 146 LEU H . 25145 1 307 . 1 1 29 29 LEU HA H 1 5.258 0.040 . 1 . . . . . 146 LEU HA . 25145 1 308 . 1 1 29 29 LEU HB2 H 1 2.143 0.040 . 2 . . . . . 146 LEU HB2 . 25145 1 309 . 1 1 29 29 LEU HB3 H 1 1.147 0.040 . 2 . . . . . 146 LEU HB3 . 25145 1 310 . 1 1 29 29 LEU HG H 1 1.044 0.040 . 1 . . . . . 146 LEU HG . 25145 1 311 . 1 1 29 29 LEU HD11 H 1 1.031 0.040 . 2 . . . . . 146 LEU HD11 . 25145 1 312 . 1 1 29 29 LEU HD12 H 1 1.031 0.040 . 2 . . . . . 146 LEU HD12 . 25145 1 313 . 1 1 29 29 LEU HD13 H 1 1.031 0.040 . 2 . . . . . 146 LEU HD13 . 25145 1 314 . 1 1 29 29 LEU HD21 H 1 1.007 0.040 . 2 . . . . . 146 LEU HD21 . 25145 1 315 . 1 1 29 29 LEU HD22 H 1 1.007 0.040 . 2 . . . . . 146 LEU HD22 . 25145 1 316 . 1 1 29 29 LEU HD23 H 1 1.007 0.040 . 2 . . . . . 146 LEU HD23 . 25145 1 317 . 1 1 29 29 LEU C C 13 177.273 0.400 . 1 . . . . . 146 LEU C . 25145 1 318 . 1 1 29 29 LEU CA C 13 53.666 0.400 . 1 . . . . . 146 LEU CA . 25145 1 319 . 1 1 29 29 LEU CB C 13 44.338 0.400 . 1 . . . . . 146 LEU CB . 25145 1 320 . 1 1 29 29 LEU CG C 13 26.641 0.400 . 1 . . . . . 146 LEU CG . 25145 1 321 . 1 1 29 29 LEU CD1 C 13 25.759 0.400 . 2 . . . . . 146 LEU CD1 . 25145 1 322 . 1 1 29 29 LEU CD2 C 13 25.762 0.400 . 2 . . . . . 146 LEU CD2 . 25145 1 323 . 1 1 29 29 LEU N N 15 123.287 0.400 . 1 . . . . . 146 LEU N . 25145 1 324 . 1 1 30 30 LEU H H 1 9.059 0.040 . 1 . . . . . 147 LEU H . 25145 1 325 . 1 1 30 30 LEU HB2 H 1 1.786 0.040 . 2 . . . . . 147 LEU HB2 . 25145 1 326 . 1 1 30 30 LEU HB3 H 1 1.560 0.040 . 2 . . . . . 147 LEU HB3 . 25145 1 327 . 1 1 30 30 LEU HG H 1 0.604 0.040 . 1 . . . . . 147 LEU HG . 25145 1 328 . 1 1 30 30 LEU HD11 H 1 1.581 0.040 . 2 . . . . . 147 LEU HD11 . 25145 1 329 . 1 1 30 30 LEU HD12 H 1 1.581 0.040 . 2 . . . . . 147 LEU HD12 . 25145 1 330 . 1 1 30 30 LEU HD13 H 1 1.581 0.040 . 2 . . . . . 147 LEU HD13 . 25145 1 331 . 1 1 30 30 LEU HD21 H 1 1.209 0.040 . 2 . . . . . 147 LEU HD21 . 25145 1 332 . 1 1 30 30 LEU HD22 H 1 1.209 0.040 . 2 . . . . . 147 LEU HD22 . 25145 1 333 . 1 1 30 30 LEU HD23 H 1 1.209 0.040 . 2 . . . . . 147 LEU HD23 . 25145 1 334 . 1 1 30 30 LEU C C 13 178.354 0.400 . 1 . . . . . 147 LEU C . 25145 1 335 . 1 1 30 30 LEU CA C 13 53.639 0.400 . 1 . . . . . 147 LEU CA . 25145 1 336 . 1 1 30 30 LEU CB C 13 48.304 0.400 . 1 . . . . . 147 LEU CB . 25145 1 337 . 1 1 30 30 LEU CG C 13 26.733 0.400 . 1 . . . . . 147 LEU CG . 25145 1 338 . 1 1 30 30 LEU CD1 C 13 27.063 0.400 . 2 . . . . . 147 LEU CD1 . 25145 1 339 . 1 1 30 30 LEU CD2 C 13 24.416 0.400 . 2 . . . . . 147 LEU CD2 . 25145 1 340 . 1 1 30 30 LEU N N 15 121.234 0.400 . 1 . . . . . 147 LEU N . 25145 1 341 . 1 1 31 31 CYS H H 1 9.582 0.040 . 1 . . . . . 148 CYS H . 25145 1 342 . 1 1 31 31 CYS HA H 1 5.211 0.040 . 1 . . . . . 148 CYS HA . 25145 1 343 . 1 1 31 31 CYS HB2 H 1 2.941 0.040 . 2 . . . . . 148 CYS HB2 . 25145 1 344 . 1 1 31 31 CYS HB3 H 1 3.518 0.040 . 2 . . . . . 148 CYS HB3 . 25145 1 345 . 1 1 31 31 CYS C C 13 175.118 0.400 . 1 . . . . . 148 CYS C . 25145 1 346 . 1 1 31 31 CYS CA C 13 58.640 0.400 . 1 . . . . . 148 CYS CA . 25145 1 347 . 1 1 31 31 CYS CB C 13 32.059 0.400 . 1 . . . . . 148 CYS CB . 25145 1 348 . 1 1 31 31 CYS N N 15 122.206 0.400 . 1 . . . . . 148 CYS N . 25145 1 349 . 1 1 32 32 ALA H H 1 9.776 0.040 . 1 . . . . . 149 ALA H . 25145 1 350 . 1 1 32 32 ALA HA H 1 4.370 0.040 . 1 . . . . . 149 ALA HA . 25145 1 351 . 1 1 32 32 ALA HB1 H 1 1.714 0.040 . 1 . . . . . 149 ALA HB1 . 25145 1 352 . 1 1 32 32 ALA HB2 H 1 1.714 0.040 . 1 . . . . . 149 ALA HB2 . 25145 1 353 . 1 1 32 32 ALA HB3 H 1 1.714 0.040 . 1 . . . . . 149 ALA HB3 . 25145 1 354 . 1 1 32 32 ALA C C 13 179.847 0.400 . 1 . . . . . 149 ALA C . 25145 1 355 . 1 1 32 32 ALA CA C 13 56.405 0.400 . 1 . . . . . 149 ALA CA . 25145 1 356 . 1 1 32 32 ALA CB C 13 18.503 0.400 . 1 . . . . . 149 ALA CB . 25145 1 357 . 1 1 32 32 ALA N N 15 122.507 0.400 . 1 . . . . . 149 ALA N . 25145 1 358 . 1 1 33 33 LYS H H 1 8.171 0.040 . 1 . . . . . 150 LYS H . 25145 1 359 . 1 1 33 33 LYS HA H 1 4.266 0.040 . 1 . . . . . 150 LYS HA . 25145 1 360 . 1 1 33 33 LYS HB2 H 1 1.999 0.040 . 2 . . . . . 150 LYS HB2 . 25145 1 361 . 1 1 33 33 LYS HB3 H 1 2.069 0.040 . 2 . . . . . 150 LYS HB3 . 25145 1 362 . 1 1 33 33 LYS HG2 H 1 1.528 0.040 . 2 . . . . . 150 LYS HG2 . 25145 1 363 . 1 1 33 33 LYS HG3 H 1 1.656 0.040 . 2 . . . . . 150 LYS HG3 . 25145 1 364 . 1 1 33 33 LYS HD2 H 1 1.767 0.040 . 2 . . . . . 150 LYS HD2 . 25145 1 365 . 1 1 33 33 LYS HD3 H 1 1.767 0.040 . 2 . . . . . 150 LYS HD3 . 25145 1 366 . 1 1 33 33 LYS HE2 H 1 3.051 0.040 . 2 . . . . . 150 LYS HE2 . 25145 1 367 . 1 1 33 33 LYS HE3 H 1 3.051 0.040 . 2 . . . . . 150 LYS HE3 . 25145 1 368 . 1 1 33 33 LYS C C 13 180.569 0.400 . 1 . . . . . 150 LYS C . 25145 1 369 . 1 1 33 33 LYS CA C 13 59.821 0.400 . 1 . . . . . 150 LYS CA . 25145 1 370 . 1 1 33 33 LYS CB C 13 32.569 0.400 . 1 . . . . . 150 LYS CB . 25145 1 371 . 1 1 33 33 LYS CG C 13 25.218 0.400 . 1 . . . . . 150 LYS CG . 25145 1 372 . 1 1 33 33 LYS CD C 13 28.789 0.400 . 1 . . . . . 150 LYS CD . 25145 1 373 . 1 1 33 33 LYS CE C 13 41.820 0.400 . 1 . . . . . 150 LYS CE . 25145 1 374 . 1 1 33 33 LYS N N 15 119.596 0.400 . 1 . . . . . 150 LYS N . 25145 1 375 . 1 1 34 34 CYS H H 1 9.489 0.040 . 1 . . . . . 151 CYS H . 25145 1 376 . 1 1 34 34 CYS HA H 1 4.079 0.040 . 1 . . . . . 151 CYS HA . 25145 1 377 . 1 1 34 34 CYS HB2 H 1 3.096 0.040 . 2 . . . . . 151 CYS HB2 . 25145 1 378 . 1 1 34 34 CYS HB3 H 1 3.174 0.040 . 2 . . . . . 151 CYS HB3 . 25145 1 379 . 1 1 34 34 CYS C C 13 178.531 0.400 . 1 . . . . . 151 CYS C . 25145 1 380 . 1 1 34 34 CYS CA C 13 65.292 0.400 . 1 . . . . . 151 CYS CA . 25145 1 381 . 1 1 34 34 CYS CB C 13 30.203 0.400 . 1 . . . . . 151 CYS CB . 25145 1 382 . 1 1 34 34 CYS N N 15 126.383 0.400 . 1 . . . . . 151 CYS N . 25145 1 383 . 1 1 35 35 PHE H H 1 9.550 0.040 . 1 . . . . . 152 PHE H . 25145 1 384 . 1 1 35 35 PHE HA H 1 4.065 0.040 . 1 . . . . . 152 PHE HA . 25145 1 385 . 1 1 35 35 PHE HB2 H 1 2.925 0.040 . 2 . . . . . 152 PHE HB2 . 25145 1 386 . 1 1 35 35 PHE HB3 H 1 2.925 0.040 . 2 . . . . . 152 PHE HB3 . 25145 1 387 . 1 1 35 35 PHE HD1 H 1 6.723 0.040 . 3 . . . . . 152 PHE HD1 . 25145 1 388 . 1 1 35 35 PHE HD2 H 1 6.454 0.040 . 3 . . . . . 152 PHE HD2 . 25145 1 389 . 1 1 35 35 PHE HE1 H 1 7.047 0.040 . 3 . . . . . 152 PHE HE1 . 25145 1 390 . 1 1 35 35 PHE HE2 H 1 7.047 0.040 . 3 . . . . . 152 PHE HE2 . 25145 1 391 . 1 1 35 35 PHE C C 13 176.966 0.400 . 1 . . . . . 152 PHE C . 25145 1 392 . 1 1 35 35 PHE CA C 13 61.296 0.400 . 1 . . . . . 152 PHE CA . 25145 1 393 . 1 1 35 35 PHE CB C 13 39.361 0.400 . 1 . . . . . 152 PHE CB . 25145 1 394 . 1 1 35 35 PHE N N 15 121.096 0.400 . 1 . . . . . 152 PHE N . 25145 1 395 . 1 1 36 36 GLU H H 1 7.999 0.040 . 1 . . . . . 153 GLU H . 25145 1 396 . 1 1 36 36 GLU HA H 1 3.740 0.040 . 1 . . . . . 153 GLU HA . 25145 1 397 . 1 1 36 36 GLU HB2 H 1 2.185 0.040 . 2 . . . . . 153 GLU HB2 . 25145 1 398 . 1 1 36 36 GLU HB3 H 1 2.101 0.040 . 2 . . . . . 153 GLU HB3 . 25145 1 399 . 1 1 36 36 GLU HG2 H 1 2.513 0.040 . 2 . . . . . 153 GLU HG2 . 25145 1 400 . 1 1 36 36 GLU HG3 H 1 2.513 0.040 . 2 . . . . . 153 GLU HG3 . 25145 1 401 . 1 1 36 36 GLU C C 13 179.160 0.400 . 1 . . . . . 153 GLU C . 25145 1 402 . 1 1 36 36 GLU CA C 13 59.640 0.400 . 1 . . . . . 153 GLU CA . 25145 1 403 . 1 1 36 36 GLU CB C 13 29.344 0.400 . 1 . . . . . 153 GLU CB . 25145 1 404 . 1 1 36 36 GLU CG C 13 36.317 0.400 . 1 . . . . . 153 GLU CG . 25145 1 405 . 1 1 36 36 GLU N N 15 119.748 0.400 . 1 . . . . . 153 GLU N . 25145 1 406 . 1 1 37 37 ALA H H 1 7.151 0.040 . 1 . . . . . 154 ALA H . 25145 1 407 . 1 1 37 37 ALA HA H 1 3.911 0.040 . 1 . . . . . 154 ALA HA . 25145 1 408 . 1 1 37 37 ALA HB1 H 1 1.617 0.040 . 1 . . . . . 154 ALA HB1 . 25145 1 409 . 1 1 37 37 ALA HB2 H 1 1.617 0.040 . 1 . . . . . 154 ALA HB2 . 25145 1 410 . 1 1 37 37 ALA HB3 H 1 1.617 0.040 . 1 . . . . . 154 ALA HB3 . 25145 1 411 . 1 1 37 37 ALA C C 13 178.305 0.400 . 1 . . . . . 154 ALA C . 25145 1 412 . 1 1 37 37 ALA CA C 13 54.946 0.400 . 1 . . . . . 154 ALA CA . 25145 1 413 . 1 1 37 37 ALA CB C 13 17.858 0.400 . 1 . . . . . 154 ALA CB . 25145 1 414 . 1 1 37 37 ALA N N 15 120.137 0.400 . 1 . . . . . 154 ALA N . 25145 1 415 . 1 1 38 38 HIS H H 1 8.275 0.040 . 1 . . . . . 155 HIS H . 25145 1 416 . 1 1 38 38 HIS HA H 1 4.067 0.040 . 1 . . . . . 155 HIS HA . 25145 1 417 . 1 1 38 38 HIS HB2 H 1 3.232 0.040 . 2 . . . . . 155 HIS HB2 . 25145 1 418 . 1 1 38 38 HIS HB3 H 1 2.882 0.040 . 2 . . . . . 155 HIS HB3 . 25145 1 419 . 1 1 38 38 HIS HD2 H 1 6.877 0.040 . 1 . . . . . 155 HIS HD2 . 25145 1 420 . 1 1 38 38 HIS C C 13 175.549 0.400 . 1 . . . . . 155 HIS C . 25145 1 421 . 1 1 38 38 HIS CA C 13 59.746 0.400 . 1 . . . . . 155 HIS CA . 25145 1 422 . 1 1 38 38 HIS CB C 13 28.308 0.400 . 1 . . . . . 155 HIS CB . 25145 1 423 . 1 1 38 38 HIS N N 15 119.326 0.400 . 1 . . . . . 155 HIS N . 25145 1 424 . 1 1 39 39 GLN H H 1 8.086 0.040 . 1 . . . . . 156 GLN H . 25145 1 425 . 1 1 39 39 GLN HA H 1 3.852 0.040 . 1 . . . . . 156 GLN HA . 25145 1 426 . 1 1 39 39 GLN HB2 H 1 1.721 0.040 . 2 . . . . . 156 GLN HB2 . 25145 1 427 . 1 1 39 39 GLN HB3 H 1 1.721 0.040 . 2 . . . . . 156 GLN HB3 . 25145 1 428 . 1 1 39 39 GLN HG2 H 1 1.762 0.040 . 2 . . . . . 156 GLN HG2 . 25145 1 429 . 1 1 39 39 GLN HG3 H 1 1.762 0.040 . 2 . . . . . 156 GLN HG3 . 25145 1 430 . 1 1 39 39 GLN HE21 H 1 7.207 0.040 . 2 . . . . . 156 GLN HE21 . 25145 1 431 . 1 1 39 39 GLN HE22 H 1 7.441 0.040 . 2 . . . . . 156 GLN HE22 . 25145 1 432 . 1 1 39 39 GLN C C 13 176.924 0.400 . 1 . . . . . 156 GLN C . 25145 1 433 . 1 1 39 39 GLN CA C 13 56.545 0.400 . 1 . . . . . 156 GLN CA . 25145 1 434 . 1 1 39 39 GLN CB C 13 29.457 0.400 . 1 . . . . . 156 GLN CB . 25145 1 435 . 1 1 39 39 GLN CG C 13 33.750 0.400 . 1 . . . . . 156 GLN CG . 25145 1 436 . 1 1 39 39 GLN N N 15 115.126 0.400 . 1 . . . . . 156 GLN N . 25145 1 437 . 1 1 39 39 GLN NE2 N 15 112.997 0.400 . 1 . . . . . 156 GLN NE2 . 25145 1 438 . 1 1 40 40 TRP H H 1 7.357 0.040 . 1 . . . . . 157 TRP H . 25145 1 439 . 1 1 40 40 TRP HA H 1 4.078 0.040 . 1 . . . . . 157 TRP HA . 25145 1 440 . 1 1 40 40 TRP HB2 H 1 3.142 0.040 . 2 . . . . . 157 TRP HB2 . 25145 1 441 . 1 1 40 40 TRP HB3 H 1 2.852 0.040 . 2 . . . . . 157 TRP HB3 . 25145 1 442 . 1 1 40 40 TRP HE1 H 1 10.338 0.040 . 1 . . . . . 157 TRP HE1 . 25145 1 443 . 1 1 40 40 TRP C C 13 177.467 0.400 . 1 . . . . . 157 TRP C . 25145 1 444 . 1 1 40 40 TRP CA C 13 59.400 0.400 . 1 . . . . . 157 TRP CA . 25145 1 445 . 1 1 40 40 TRP CB C 13 28.735 0.400 . 1 . . . . . 157 TRP CB . 25145 1 446 . 1 1 40 40 TRP N N 15 118.772 0.400 . 1 . . . . . 157 TRP N . 25145 1 447 . 1 1 40 40 TRP NE1 N 15 130.087 0.400 . 1 . . . . . 157 TRP NE1 . 25145 1 448 . 1 1 41 41 PHE H H 1 7.467 0.040 . 1 . . . . . 158 PHE H . 25145 1 449 . 1 1 41 41 PHE HA H 1 4.308 0.040 . 1 . . . . . 158 PHE HA . 25145 1 450 . 1 1 41 41 PHE HB2 H 1 3.082 0.040 . 2 . . . . . 158 PHE HB2 . 25145 1 451 . 1 1 41 41 PHE HB3 H 1 2.449 0.040 . 2 . . . . . 158 PHE HB3 . 25145 1 452 . 1 1 41 41 PHE HE1 H 1 7.497 0.040 . 3 . . . . . 158 PHE HE1 . 25145 1 453 . 1 1 41 41 PHE HE2 H 1 7.497 0.040 . 3 . . . . . 158 PHE HE2 . 25145 1 454 . 1 1 41 41 PHE C C 13 175.240 0.400 . 1 . . . . . 158 PHE C . 25145 1 455 . 1 1 41 41 PHE CA C 13 60.343 0.400 . 1 . . . . . 158 PHE CA . 25145 1 456 . 1 1 41 41 PHE CB C 13 40.687 0.400 . 1 . . . . . 158 PHE CB . 25145 1 457 . 1 1 41 41 PHE N N 15 113.629 0.400 . 1 . . . . . 158 PHE N . 25145 1 458 . 1 1 42 42 LEU H H 1 7.829 0.040 . 1 . . . . . 159 LEU H . 25145 1 459 . 1 1 42 42 LEU HA H 1 4.197 0.040 . 1 . . . . . 159 LEU HA . 25145 1 460 . 1 1 42 42 LEU HB2 H 1 0.545 0.040 . 2 . . . . . 159 LEU HB2 . 25145 1 461 . 1 1 42 42 LEU HB3 H 1 0.582 0.040 . 2 . . . . . 159 LEU HB3 . 25145 1 462 . 1 1 42 42 LEU HG H 1 0.403 0.040 . 1 . . . . . 159 LEU HG . 25145 1 463 . 1 1 42 42 LEU HD11 H 1 0.570 0.040 . 2 . . . . . 159 LEU HD11 . 25145 1 464 . 1 1 42 42 LEU HD12 H 1 0.570 0.040 . 2 . . . . . 159 LEU HD12 . 25145 1 465 . 1 1 42 42 LEU HD13 H 1 0.570 0.040 . 2 . . . . . 159 LEU HD13 . 25145 1 466 . 1 1 42 42 LEU HD21 H 1 0.928 0.040 . 2 . . . . . 159 LEU HD21 . 25145 1 467 . 1 1 42 42 LEU HD22 H 1 0.928 0.040 . 2 . . . . . 159 LEU HD22 . 25145 1 468 . 1 1 42 42 LEU HD23 H 1 0.928 0.040 . 2 . . . . . 159 LEU HD23 . 25145 1 469 . 1 1 42 42 LEU C C 13 175.720 0.400 . 1 . . . . . 159 LEU C . 25145 1 470 . 1 1 42 42 LEU CA C 13 53.597 0.400 . 1 . . . . . 159 LEU CA . 25145 1 471 . 1 1 42 42 LEU CB C 13 44.008 0.400 . 1 . . . . . 159 LEU CB . 25145 1 472 . 1 1 42 42 LEU CG C 13 26.161 0.400 . 1 . . . . . 159 LEU CG . 25145 1 473 . 1 1 42 42 LEU CD1 C 13 23.320 0.400 . 2 . . . . . 159 LEU CD1 . 25145 1 474 . 1 1 42 42 LEU CD2 C 13 26.144 0.400 . 2 . . . . . 159 LEU CD2 . 25145 1 475 . 1 1 42 42 LEU N N 15 118.844 0.400 . 1 . . . . . 159 LEU N . 25145 1 476 . 1 1 43 43 LYS H H 1 7.998 0.040 . 1 . . . . . 160 LYS H . 25145 1 477 . 1 1 43 43 LYS HA H 1 4.260 0.040 . 1 . . . . . 160 LYS HA . 25145 1 478 . 1 1 43 43 LYS HB2 H 1 1.728 0.040 . 2 . . . . . 160 LYS HB2 . 25145 1 479 . 1 1 43 43 LYS HB3 H 1 1.654 0.040 . 2 . . . . . 160 LYS HB3 . 25145 1 480 . 1 1 43 43 LYS HG2 H 1 1.242 0.040 . 2 . . . . . 160 LYS HG2 . 25145 1 481 . 1 1 43 43 LYS HG3 H 1 1.173 0.040 . 2 . . . . . 160 LYS HG3 . 25145 1 482 . 1 1 43 43 LYS HD2 H 1 1.529 0.040 . 2 . . . . . 160 LYS HD2 . 25145 1 483 . 1 1 43 43 LYS HD3 H 1 1.529 0.040 . 2 . . . . . 160 LYS HD3 . 25145 1 484 . 1 1 43 43 LYS HE2 H 1 2.895 0.040 . 2 . . . . . 160 LYS HE2 . 25145 1 485 . 1 1 43 43 LYS HE3 H 1 2.840 0.040 . 2 . . . . . 160 LYS HE3 . 25145 1 486 . 1 1 43 43 LYS C C 13 175.019 0.400 . 1 . . . . . 160 LYS C . 25145 1 487 . 1 1 43 43 LYS CA C 13 55.074 0.400 . 1 . . . . . 160 LYS CA . 25145 1 488 . 1 1 43 43 LYS CB C 13 30.820 0.400 . 1 . . . . . 160 LYS CB . 25145 1 489 . 1 1 43 43 LYS CG C 13 24.373 0.400 . 1 . . . . . 160 LYS CG . 25145 1 490 . 1 1 43 43 LYS CD C 13 28.674 0.400 . 1 . . . . . 160 LYS CD . 25145 1 491 . 1 1 43 43 LYS CE C 13 42.043 0.400 . 1 . . . . . 160 LYS CE . 25145 1 492 . 1 1 43 43 LYS N N 15 120.779 0.400 . 1 . . . . . 160 LYS N . 25145 1 493 . 1 1 44 44 HIS H H 1 8.329 0.040 . 1 . . . . . 161 HIS H . 25145 1 494 . 1 1 44 44 HIS HA H 1 5.136 0.040 . 1 . . . . . 161 HIS HA . 25145 1 495 . 1 1 44 44 HIS HB2 H 1 3.587 0.040 . 2 . . . . . 161 HIS HB2 . 25145 1 496 . 1 1 44 44 HIS HB3 H 1 2.893 0.040 . 2 . . . . . 161 HIS HB3 . 25145 1 497 . 1 1 44 44 HIS HD2 H 1 6.974 0.040 . 1 . . . . . 161 HIS HD2 . 25145 1 498 . 1 1 44 44 HIS HE1 H 1 7.682 0.040 . 1 . . . . . 161 HIS HE1 . 25145 1 499 . 1 1 44 44 HIS C C 13 175.562 0.400 . 1 . . . . . 161 HIS C . 25145 1 500 . 1 1 44 44 HIS CA C 13 52.168 0.400 . 1 . . . . . 161 HIS CA . 25145 1 501 . 1 1 44 44 HIS CB C 13 37.776 0.400 . 1 . . . . . 161 HIS CB . 25145 1 502 . 1 1 44 44 HIS N N 15 122.492 0.400 . 1 . . . . . 161 HIS N . 25145 1 503 . 1 1 45 45 GLU H H 1 9.339 0.040 . 1 . . . . . 162 GLU H . 25145 1 504 . 1 1 45 45 GLU HA H 1 4.585 0.040 . 1 . . . . . 162 GLU HA . 25145 1 505 . 1 1 45 45 GLU HB2 H 1 2.093 0.040 . 2 . . . . . 162 GLU HB2 . 25145 1 506 . 1 1 45 45 GLU HB3 H 1 2.231 0.040 . 2 . . . . . 162 GLU HB3 . 25145 1 507 . 1 1 45 45 GLU HG2 H 1 2.308 0.040 . 2 . . . . . 162 GLU HG2 . 25145 1 508 . 1 1 45 45 GLU HG3 H 1 2.402 0.040 . 2 . . . . . 162 GLU HG3 . 25145 1 509 . 1 1 45 45 GLU C C 13 174.307 0.400 . 1 . . . . . 162 GLU C . 25145 1 510 . 1 1 45 45 GLU CA C 13 56.258 0.400 . 1 . . . . . 162 GLU CA . 25145 1 511 . 1 1 45 45 GLU CB C 13 30.185 0.400 . 1 . . . . . 162 GLU CB . 25145 1 512 . 1 1 45 45 GLU CG C 13 36.186 0.400 . 1 . . . . . 162 GLU CG . 25145 1 513 . 1 1 45 45 GLU N N 15 123.147 0.400 . 1 . . . . . 162 GLU N . 25145 1 514 . 1 1 46 46 ALA H H 1 8.341 0.040 . 1 . . . . . 163 ALA H . 25145 1 515 . 1 1 46 46 ALA HA H 1 5.196 0.040 . 1 . . . . . 163 ALA HA . 25145 1 516 . 1 1 46 46 ALA HB1 H 1 1.372 0.040 . 1 . . . . . 163 ALA HB1 . 25145 1 517 . 1 1 46 46 ALA HB2 H 1 1.372 0.040 . 1 . . . . . 163 ALA HB2 . 25145 1 518 . 1 1 46 46 ALA HB3 H 1 1.372 0.040 . 1 . . . . . 163 ALA HB3 . 25145 1 519 . 1 1 46 46 ALA C C 13 176.359 0.400 . 1 . . . . . 163 ALA C . 25145 1 520 . 1 1 46 46 ALA CA C 13 51.434 0.400 . 1 . . . . . 163 ALA CA . 25145 1 521 . 1 1 46 46 ALA CB C 13 22.964 0.400 . 1 . . . . . 163 ALA CB . 25145 1 522 . 1 1 46 46 ALA N N 15 126.191 0.400 . 1 . . . . . 163 ALA N . 25145 1 523 . 1 1 47 47 ARG H H 1 8.956 0.040 . 1 . . . . . 164 ARG H . 25145 1 524 . 1 1 47 47 ARG HA H 1 5.330 0.040 . 1 . . . . . 164 ARG HA . 25145 1 525 . 1 1 47 47 ARG HB2 H 1 2.012 0.040 . 2 . . . . . 164 ARG HB2 . 25145 1 526 . 1 1 47 47 ARG HB3 H 1 2.099 0.040 . 2 . . . . . 164 ARG HB3 . 25145 1 527 . 1 1 47 47 ARG HG2 H 1 1.787 0.040 . 2 . . . . . 164 ARG HG2 . 25145 1 528 . 1 1 47 47 ARG HG3 H 1 1.787 0.040 . 2 . . . . . 164 ARG HG3 . 25145 1 529 . 1 1 47 47 ARG HD2 H 1 3.362 0.040 . 2 . . . . . 164 ARG HD2 . 25145 1 530 . 1 1 47 47 ARG HD3 H 1 3.362 0.040 . 2 . . . . . 164 ARG HD3 . 25145 1 531 . 1 1 47 47 ARG HE H 1 7.281 0.040 . 1 . . . . . 164 ARG HE . 25145 1 532 . 1 1 47 47 ARG CA C 13 52.977 0.400 . 1 . . . . . 164 ARG CA . 25145 1 533 . 1 1 47 47 ARG CB C 13 32.337 0.400 . 1 . . . . . 164 ARG CB . 25145 1 534 . 1 1 47 47 ARG CG C 13 26.544 0.400 . 1 . . . . . 164 ARG CG . 25145 1 535 . 1 1 47 47 ARG CD C 13 43.413 0.400 . 1 . . . . . 164 ARG CD . 25145 1 536 . 1 1 47 47 ARG N N 15 118.570 0.400 . 1 . . . . . 164 ARG N . 25145 1 537 . 1 1 47 47 ARG NE N 15 84.582 0.400 . 1 . . . . . 164 ARG NE . 25145 1 538 . 1 1 48 48 PRO HA H 1 4.448 0.040 . 1 . . . . . 165 PRO HA . 25145 1 539 . 1 1 48 48 PRO HB2 H 1 2.139 0.040 . 2 . . . . . 165 PRO HB2 . 25145 1 540 . 1 1 48 48 PRO HB3 H 1 1.862 0.040 . 2 . . . . . 165 PRO HB3 . 25145 1 541 . 1 1 48 48 PRO HG2 H 1 2.112 0.040 . 2 . . . . . 165 PRO HG2 . 25145 1 542 . 1 1 48 48 PRO HG3 H 1 2.171 0.040 . 2 . . . . . 165 PRO HG3 . 25145 1 543 . 1 1 48 48 PRO HD2 H 1 3.856 0.040 . 2 . . . . . 165 PRO HD2 . 25145 1 544 . 1 1 48 48 PRO HD3 H 1 4.044 0.040 . 2 . . . . . 165 PRO HD3 . 25145 1 545 . 1 1 48 48 PRO C C 13 177.148 0.400 . 1 . . . . . 165 PRO C . 25145 1 546 . 1 1 48 48 PRO CA C 13 62.074 0.400 . 1 . . . . . 165 PRO CA . 25145 1 547 . 1 1 48 48 PRO CB C 13 32.019 0.400 . 1 . . . . . 165 PRO CB . 25145 1 548 . 1 1 48 48 PRO CG C 13 27.494 0.400 . 1 . . . . . 165 PRO CG . 25145 1 549 . 1 1 48 48 PRO CD C 13 51.105 0.400 . 1 . . . . . 165 PRO CD . 25145 1 550 . 1 1 49 49 LEU H H 1 7.726 0.040 . 1 . . . . . 166 LEU H . 25145 1 551 . 1 1 49 49 LEU HA H 1 4.042 0.040 . 1 . . . . . 166 LEU HA . 25145 1 552 . 1 1 49 49 LEU HB2 H 1 1.332 0.040 . 2 . . . . . 166 LEU HB2 . 25145 1 553 . 1 1 49 49 LEU HB3 H 1 1.404 0.040 . 2 . . . . . 166 LEU HB3 . 25145 1 554 . 1 1 49 49 LEU HG H 1 1.172 0.040 . 1 . . . . . 166 LEU HG . 25145 1 555 . 1 1 49 49 LEU HD11 H 1 0.611 0.040 . 2 . . . . . 166 LEU HD11 . 25145 1 556 . 1 1 49 49 LEU HD12 H 1 0.611 0.040 . 2 . . . . . 166 LEU HD12 . 25145 1 557 . 1 1 49 49 LEU HD13 H 1 0.611 0.040 . 2 . . . . . 166 LEU HD13 . 25145 1 558 . 1 1 49 49 LEU HD21 H 1 0.674 0.040 . 2 . . . . . 166 LEU HD21 . 25145 1 559 . 1 1 49 49 LEU HD22 H 1 0.674 0.040 . 2 . . . . . 166 LEU HD22 . 25145 1 560 . 1 1 49 49 LEU HD23 H 1 0.674 0.040 . 2 . . . . . 166 LEU HD23 . 25145 1 561 . 1 1 49 49 LEU C C 13 177.113 0.400 . 1 . . . . . 166 LEU C . 25145 1 562 . 1 1 49 49 LEU CA C 13 55.705 0.400 . 1 . . . . . 166 LEU CA . 25145 1 563 . 1 1 49 49 LEU CB C 13 41.671 0.400 . 1 . . . . . 166 LEU CB . 25145 1 564 . 1 1 49 49 LEU CG C 13 27.133 0.400 . 1 . . . . . 166 LEU CG . 25145 1 565 . 1 1 49 49 LEU CD1 C 13 25.118 0.400 . 2 . . . . . 166 LEU CD1 . 25145 1 566 . 1 1 49 49 LEU CD2 C 13 22.905 0.400 . 2 . . . . . 166 LEU CD2 . 25145 1 567 . 1 1 49 49 LEU N N 15 121.725 0.400 . 1 . . . . . 166 LEU N . 25145 1 568 . 1 1 50 50 ALA H H 1 7.990 0.040 . 1 . . . . . 167 ALA H . 25145 1 569 . 1 1 50 50 ALA HA H 1 4.352 0.040 . 1 . . . . . 167 ALA HA . 25145 1 570 . 1 1 50 50 ALA HB1 H 1 1.297 0.040 . 1 . . . . . 167 ALA HB1 . 25145 1 571 . 1 1 50 50 ALA HB2 H 1 1.297 0.040 . 1 . . . . . 167 ALA HB2 . 25145 1 572 . 1 1 50 50 ALA HB3 H 1 1.297 0.040 . 1 . . . . . 167 ALA HB3 . 25145 1 573 . 1 1 50 50 ALA C C 13 176.119 0.400 . 1 . . . . . 167 ALA C . 25145 1 574 . 1 1 50 50 ALA CA C 13 51.891 0.400 . 1 . . . . . 167 ALA CA . 25145 1 575 . 1 1 50 50 ALA CB C 13 19.431 0.400 . 1 . . . . . 167 ALA CB . 25145 1 576 . 1 1 50 50 ALA N N 15 122.489 0.400 . 1 . . . . . 167 ALA N . 25145 1 577 . 1 1 51 51 GLU H H 1 7.816 0.040 . 1 . . . . . 168 GLU H . 25145 1 578 . 1 1 51 51 GLU HA H 1 4.088 0.040 . 1 . . . . . 168 GLU HA . 25145 1 579 . 1 1 51 51 GLU HB2 H 1 1.873 0.040 . 2 . . . . . 168 GLU HB2 . 25145 1 580 . 1 1 51 51 GLU HB3 H 1 2.039 0.040 . 2 . . . . . 168 GLU HB3 . 25145 1 581 . 1 1 51 51 GLU HG2 H 1 2.193 0.040 . 2 . . . . . 168 GLU HG2 . 25145 1 582 . 1 1 51 51 GLU HG3 H 1 2.193 0.040 . 2 . . . . . 168 GLU HG3 . 25145 1 583 . 1 1 51 51 GLU CA C 13 57.925 0.400 . 1 . . . . . 168 GLU CA . 25145 1 584 . 1 1 51 51 GLU CB C 13 31.382 0.400 . 1 . . . . . 168 GLU CB . 25145 1 585 . 1 1 51 51 GLU CG C 13 36.865 0.400 . 1 . . . . . 168 GLU CG . 25145 1 586 . 1 1 51 51 GLU N N 15 125.577 0.400 . 1 . . . . . 168 GLU N . 25145 1 stop_ save_