data_53002 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53002 _Entry.Title ; Comprehensive NMR Data Set for Protein ZLBT-C: Chemical Shifts and RDCs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-03 _Entry.Accession_date 2025-04-03 _Entry.Last_release_date 2025-04-04 _Entry.Original_release_date 2025-04-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Entry description: This deposition provides a comprehensive dataset of NMR spectroscopy data for the protein ZLBT-C, a didomain construct of S. Aureus Protein A. Included in this submission are chemical shift assignments and residual dipolar couplings (RDCs), essential for understanding the protein's structural dynamics and interdomain interactions. ZLBT-C was investigated as part of the study published in "Continuous Interdomain Orientation Distributions Reveal Components of Binding Thermodynamics," which explores the binding thermodynamics and interdomain orientational distributions. ; _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 Yang Qi . . . . 53002 2 Jeffrey Martin . W. . . 53002 3 Adam Barb . W. . . 53002 4 Francois Thelot . . . . 53002 5 Anthony Yan . K. . . 53002 6 Bruce Donald . R. . . 53002 7 Terrence Oas . G. . . 53002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 2 53002 assigned_chemical_shifts 1 53002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 153 53002 '15N chemical shifts' 84 53002 '1H chemical shifts' 191 53002 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 . . 2025-04-17 . original BMRB . 53002 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53002 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 29924964 _Citation.DOI 10.1016/j.jmb.2018.06.022 _Citation.Full_citation . _Citation.Title ; Continuous Interdomain Orientation Distributions Reveal Components of Binding Thermodynamics. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 430 _Citation.Journal_issue '18 Pt B' _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 3412 _Citation.Page_last 3426 _Citation.Year 2018 _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 Yang Qi Y. . . . 53002 1 2 Jeffrey Martin J. W. . . 53002 1 3 Adam Barb A. W. . . 53002 1 4 Francois Thelot F. . . . 53002 1 5 Anthony Yan A. K. . . 53002 1 6 Bruce Donald B. R. . . 53002 1 7 Terrence Oas T. G. . . 53002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53002 _Assembly.ID 1 _Assembly.Name ZLBT-C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14622.08 _Assembly.Enzyme_commission_number . _Assembly.Details 'Didomain construct of S. Aureus Protein A with a Lanthanide Binding Tag inserted into the first domain.' _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 ZLBT-C 1 $entity_1 . . yes native no no . Ligand . 53002 1 2 'Lutetium ion' 2 $entity_LU . . no native no no . Ligand . 53002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53002 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDNKFNKEQQNAFYEILHLP NLNEEQRNAFIQSLKDYIDT NNDGAYEGDELQSANLLAEA KKLNDAQAPKADNKFNKEQQ NAFYEILHLPNLTEEQRNGF IQSLKDDPSVSKEILAEAKK LNDAQAPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binds Fab region of VH3 antigen receptors on B cells to interfere with B cell function and normal antibody production' 53002 1 'Binds Tumor Necrosis Factor 1 which alters normal apoptosis regulation mechanisms' 53002 1 'Binds to Fc region of antibodies to prevent phagocytosis leading to prolonged bacterial survival' 53002 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 . VAL . 53002 1 2 . ASP . 53002 1 3 . ASN . 53002 1 4 . LYS . 53002 1 5 . PHE . 53002 1 6 . ASN . 53002 1 7 . LYS . 53002 1 8 . GLU . 53002 1 9 . GLN . 53002 1 10 . GLN . 53002 1 11 . ASN . 53002 1 12 . ALA . 53002 1 13 . PHE . 53002 1 14 . TYR . 53002 1 15 . GLU . 53002 1 16 . ILE . 53002 1 17 . LEU . 53002 1 18 . HIS . 53002 1 19 . LEU . 53002 1 20 . PRO . 53002 1 21 . ASN . 53002 1 22 . LEU . 53002 1 23 . ASN . 53002 1 24 . GLU . 53002 1 25 . GLU . 53002 1 26 . GLN . 53002 1 27 . ARG . 53002 1 28 . ASN . 53002 1 29 . ALA . 53002 1 30 . PHE . 53002 1 31 . ILE . 53002 1 32 . GLN . 53002 1 33 . SER . 53002 1 34 . LEU . 53002 1 35 . LYS . 53002 1 36 . ASP . 53002 1 37 . TYR . 53002 1 38 . ILE . 53002 1 39 . ASP . 53002 1 40 . THR . 53002 1 41 . ASN . 53002 1 42 . ASN . 53002 1 43 . ASP . 53002 1 44 . GLY . 53002 1 45 . ALA . 53002 1 46 . TYR . 53002 1 47 . GLU . 53002 1 48 . GLY . 53002 1 49 . ASP . 53002 1 50 . GLU . 53002 1 51 . LEU . 53002 1 52 . GLN . 53002 1 53 . SER . 53002 1 54 . ALA . 53002 1 55 . ASN . 53002 1 56 . LEU . 53002 1 57 . LEU . 53002 1 58 . ALA . 53002 1 59 . GLU . 53002 1 60 . ALA . 53002 1 61 . LYS . 53002 1 62 . LYS . 53002 1 63 . LEU . 53002 1 64 . ASN . 53002 1 65 . ASP . 53002 1 66 . ALA . 53002 1 67 . GLN . 53002 1 68 . ALA . 53002 1 69 . PRO . 53002 1 70 . LYS . 53002 1 71 . ALA . 53002 1 72 . ASP . 53002 1 73 . ASN . 53002 1 74 . LYS . 53002 1 75 . PHE . 53002 1 76 . ASN . 53002 1 77 . LYS . 53002 1 78 . GLU . 53002 1 79 . GLN . 53002 1 80 . GLN . 53002 1 81 . ASN . 53002 1 82 . ALA . 53002 1 83 . PHE . 53002 1 84 . TYR . 53002 1 85 . GLU . 53002 1 86 . ILE . 53002 1 87 . LEU . 53002 1 88 . HIS . 53002 1 89 . LEU . 53002 1 90 . PRO . 53002 1 91 . ASN . 53002 1 92 . LEU . 53002 1 93 . THR . 53002 1 94 . GLU . 53002 1 95 . GLU . 53002 1 96 . GLN . 53002 1 97 . ARG . 53002 1 98 . ASN . 53002 1 99 . GLY . 53002 1 100 . PHE . 53002 1 101 . ILE . 53002 1 102 . GLN . 53002 1 103 . SER . 53002 1 104 . LEU . 53002 1 105 . LYS . 53002 1 106 . ASP . 53002 1 107 . ASP . 53002 1 108 . PRO . 53002 1 109 . SER . 53002 1 110 . VAL . 53002 1 111 . SER . 53002 1 112 . LYS . 53002 1 113 . GLU . 53002 1 114 . ILE . 53002 1 115 . LEU . 53002 1 116 . ALA . 53002 1 117 . GLU . 53002 1 118 . ALA . 53002 1 119 . LYS . 53002 1 120 . LYS . 53002 1 121 . LEU . 53002 1 122 . ASN . 53002 1 123 . ASP . 53002 1 124 . ALA . 53002 1 125 . GLN . 53002 1 126 . ALA . 53002 1 127 . PRO . 53002 1 128 . LYS . 53002 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 . VAL 1 1 53002 1 . ASP 2 2 53002 1 . ASN 3 3 53002 1 . LYS 4 4 53002 1 . PHE 5 5 53002 1 . ASN 6 6 53002 1 . LYS 7 7 53002 1 . GLU 8 8 53002 1 . GLN 9 9 53002 1 . GLN 10 10 53002 1 . ASN 11 11 53002 1 . ALA 12 12 53002 1 . PHE 13 13 53002 1 . TYR 14 14 53002 1 . GLU 15 15 53002 1 . ILE 16 16 53002 1 . LEU 17 17 53002 1 . HIS 18 18 53002 1 . LEU 19 19 53002 1 . PRO 20 20 53002 1 . ASN 21 21 53002 1 . LEU 22 22 53002 1 . ASN 23 23 53002 1 . GLU 24 24 53002 1 . GLU 25 25 53002 1 . GLN 26 26 53002 1 . ARG 27 27 53002 1 . ASN 28 28 53002 1 . ALA 29 29 53002 1 . PHE 30 30 53002 1 . ILE 31 31 53002 1 . GLN 32 32 53002 1 . SER 33 33 53002 1 . LEU 34 34 53002 1 . LYS 35 35 53002 1 . ASP 36 36 53002 1 . TYR 37 37 53002 1 . ILE 38 38 53002 1 . ASP 39 39 53002 1 . THR 40 40 53002 1 . ASN 41 41 53002 1 . ASN 42 42 53002 1 . ASP 43 43 53002 1 . GLY 44 44 53002 1 . ALA 45 45 53002 1 . TYR 46 46 53002 1 . GLU 47 47 53002 1 . GLY 48 48 53002 1 . ASP 49 49 53002 1 . GLU 50 50 53002 1 . LEU 51 51 53002 1 . GLN 52 52 53002 1 . SER 53 53 53002 1 . ALA 54 54 53002 1 . ASN 55 55 53002 1 . LEU 56 56 53002 1 . LEU 57 57 53002 1 . ALA 58 58 53002 1 . GLU 59 59 53002 1 . ALA 60 60 53002 1 . LYS 61 61 53002 1 . LYS 62 62 53002 1 . LEU 63 63 53002 1 . ASN 64 64 53002 1 . ASP 65 65 53002 1 . ALA 66 66 53002 1 . GLN 67 67 53002 1 . ALA 68 68 53002 1 . PRO 69 69 53002 1 . LYS 70 70 53002 1 . ALA 71 71 53002 1 . ASP 72 72 53002 1 . ASN 73 73 53002 1 . LYS 74 74 53002 1 . PHE 75 75 53002 1 . ASN 76 76 53002 1 . LYS 77 77 53002 1 . GLU 78 78 53002 1 . GLN 79 79 53002 1 . GLN 80 80 53002 1 . ASN 81 81 53002 1 . ALA 82 82 53002 1 . PHE 83 83 53002 1 . TYR 84 84 53002 1 . GLU 85 85 53002 1 . ILE 86 86 53002 1 . LEU 87 87 53002 1 . HIS 88 88 53002 1 . LEU 89 89 53002 1 . PRO 90 90 53002 1 . ASN 91 91 53002 1 . LEU 92 92 53002 1 . THR 93 93 53002 1 . GLU 94 94 53002 1 . GLU 95 95 53002 1 . GLN 96 96 53002 1 . ARG 97 97 53002 1 . ASN 98 98 53002 1 . GLY 99 99 53002 1 . PHE 100 100 53002 1 . ILE 101 101 53002 1 . GLN 102 102 53002 1 . SER 103 103 53002 1 . LEU 104 104 53002 1 . LYS 105 105 53002 1 . ASP 106 106 53002 1 . ASP 107 107 53002 1 . PRO 108 108 53002 1 . SER 109 109 53002 1 . VAL 110 110 53002 1 . SER 111 111 53002 1 . LYS 112 112 53002 1 . GLU 113 113 53002 1 . ILE 114 114 53002 1 . LEU 115 115 53002 1 . ALA 116 116 53002 1 . GLU 117 117 53002 1 . ALA 118 118 53002 1 . LYS 119 119 53002 1 . LYS 120 120 53002 1 . LEU 121 121 53002 1 . ASN 122 122 53002 1 . ASP 123 123 53002 1 . ALA 124 124 53002 1 . GLN 125 125 53002 1 . ALA 126 126 53002 1 . PRO 127 127 53002 1 . LYS 128 128 53002 1 stop_ save_ save_entity_LU _Entity.Sf_category entity _Entity.Sf_framecode entity_LU _Entity.Entry_ID 53002 _Entity.ID 2 _Entity.BMRB_code LU _Entity.Name entity_LU _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 LU _Entity.Nonpolymer_comp_label $chem_comp_LU _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 174.967 _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 'LUTETIUM (III) ION' BMRB 53002 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'LUTETIUM (III) ION' BMRB 53002 2 LU 'Three letter code' 53002 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 LU $chem_comp_LU 53002 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53002 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . 53002 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53002 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . 53002 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_LU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_LU _Chem_comp.Entry_ID 53002 _Chem_comp.ID LU _Chem_comp.Provenance PDB _Chem_comp.Name 'LUTETIUM (III) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code LU _Chem_comp.PDB_code LU _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code LU _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/Lu/q+3 _Chem_comp.Mon_nstd_flag no _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 LU _Chem_comp.Formal_charge 3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Lu _Chem_comp.Formula_weight 174.967 _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/Lu/q+3 InChI InChI 1.03 53002 LU PSDMOPINLDTFSZ-UHFFFAOYSA-N InChIKey InChI 1.03 53002 LU [Lu+3] SMILES ACDLabs 10.04 53002 LU [Lu+3] SMILES CACTVS 3.341 53002 LU [Lu+3] SMILES 'OpenEye OEToolkits' 1.5.0 53002 LU [Lu+3] SMILES_CANONICAL CACTVS 3.341 53002 LU [Lu+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53002 LU 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 lutetium 'SYSTEMATIC NAME' ACDLabs 10.04 53002 LU 'lutetium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 53002 LU 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 LU LU LU LU . LU . . N 3 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 53002 LU stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53002 _Sample.ID 1 _Sample.Name 'ZLBT-C protein' _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM MOPS (pH 7.2) and 100 mM KCl, samples contain 1:1.1 ratio of protein and LuCl3' _Sample.Aggregate_sample_number 1 _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 ZLBT-C '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 375 250 500 uM . . . . 53002 1 2 MOPS 'natural abundance' . . . . . . 25 . . mM . . . . 53002 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 53002 1 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 53002 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'ZLBT-C samples were prepared with 250-500 mM protein in 25 mM MOPS (pH 7.2) and 100 mM KCl with 10% D2O.' _Sample_condition_list.Details 'Samples also saturated with 1:1.1 ratio of protein to LuCl3' 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 7.2 . pH 53002 1 pressure 1 . atm 53002 1 temperature 298 . K 53002 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53002 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53002 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53002 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz DirectDrive2 spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian/Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53002 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Samples were made with a 1:1.1 ratio of protein to LuCl3' 53002 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Samples were made with a 1:1.1 ratio of protein to LuCl3' 53002 1 3 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Samples were made with a 1:1.1 ratio of protein to LuCl3' 53002 1 4 '15N HSQC IPAP' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Samples were made with a 1:1.1 ratio of protein to TbCl3' 53002 1 5 '15N HSQC IPAP' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Samples were made with a 1:1.1 ratio of protein to DyCl3' 53002 1 6 '15N HSQC IPAP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'Samples were made with a 1:1.1 ratio of protein to LuCl3' 53002 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53002 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'ZLBT-C Assignments' _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 water 'alpha and beta carbon' . . . . ppm 4.703 internal direct 1 . . . . . 53002 1 H 1 water protons . . . . ppm 4.703 internal direct 1 . . . . . 53002 1 N 15 water nitrogen . . . . ppm 4.703 internal direct 1 . . . . . 53002 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53002 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ZLBT-C Assignments' _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 $chem_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 '3D HNCACB' . . . 53002 1 2 '3D CBCA(CO)NH' . . . 53002 1 3 '2D 1H-15N HSQC' . . . 53002 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 $software_1 . . 53002 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 VAL H H 1 8.13 0.02 . 1 . . . . . 1 VAL H . 53002 1 2 . 1 . 1 1 1 VAL HA H 1 3.94 0.02 . 1 . . . . . 1 VAL HA . 53002 1 3 . 1 . 1 1 1 VAL CA C 13 62.4 0.3 . 1 . . . . . 1 VAL CA . 53002 1 4 . 1 . 1 1 1 VAL CB C 13 32.4 0.3 . 1 . . . . . 1 VAL CB . 53002 1 5 . 1 . 1 1 1 VAL N N 15 124.6 0.3 . 1 . . . . . 1 VAL N . 53002 1 6 . 1 . 1 2 2 ASP H H 1 8.26 0.02 . 1 . . . . . 2 ASP H . 53002 1 7 . 1 . 1 2 2 ASP HA H 1 3.94 0.02 . 1 . . . . . 2 ASP HA . 53002 1 8 . 1 . 1 2 2 ASP CA C 13 53.9 0.3 . 1 . . . . . 2 ASP CA . 53002 1 9 . 1 . 1 2 2 ASP CB C 13 41.1 0.3 . 1 . . . . . 2 ASP CB . 53002 1 10 . 1 . 1 2 2 ASP N N 15 122.6 0.3 . 1 . . . . . 2 ASP N . 53002 1 11 . 1 . 1 3 3 ASN H H 1 8.49 0.02 . 1 . . . . . 3 ASN H . 53002 1 12 . 1 . 1 3 3 ASN HA H 1 4.64 0.02 . 1 . . . . . 3 ASN HA . 53002 1 13 . 1 . 1 3 3 ASN HB2 H 1 2.56 0.02 . 1 . . . . . 3 ASN HB2 . 53002 1 14 . 1 . 1 3 3 ASN CA C 13 53.2 0.3 . 1 . . . . . 3 ASN CA . 53002 1 15 . 1 . 1 3 3 ASN CB C 13 38.8 0.3 . 1 . . . . . 3 ASN CB . 53002 1 16 . 1 . 1 3 3 ASN N N 15 120.3 0.3 . 1 . . . . . 3 ASN N . 53002 1 17 . 1 . 1 4 4 LYS H H 1 8.31 0.02 . 1 . . . . . 4 LYS H . 53002 1 18 . 1 . 1 4 4 LYS HA H 1 4.59 0.02 . 1 . . . . . 4 LYS HA . 53002 1 19 . 1 . 1 4 4 LYS CA C 13 56.5 0.3 . 1 . . . . . 4 LYS CA . 53002 1 20 . 1 . 1 4 4 LYS CB C 13 32.4 0.3 . 1 . . . . . 4 LYS CB . 53002 1 21 . 1 . 1 4 4 LYS N N 15 121.2 0.3 . 1 . . . . . 4 LYS N . 53002 1 22 . 1 . 1 5 5 PHE H H 1 8.13 0.02 . 1 . . . . . 5 PHE H . 53002 1 23 . 1 . 1 5 5 PHE HA H 1 4.17 0.02 . 1 . . . . . 5 PHE HA . 53002 1 24 . 1 . 1 5 5 PHE N N 15 120.5 0.3 . 1 . . . . . 5 PHE N . 53002 1 25 . 1 . 1 10 10 GLN H H 1 8.55 0.02 . 1 . . . . . 10 GLN H . 53002 1 26 . 1 . 1 10 10 GLN HA H 1 3.92 0.02 . 1 . . . . . 10 GLN HA . 53002 1 27 . 1 . 1 10 10 GLN N N 15 118.8 0.3 . 1 . . . . . 10 GLN N . 53002 1 28 . 1 . 1 18 18 HIS H H 1 7.19 0.02 . 1 . . . . . 18 HIS H . 53002 1 29 . 1 . 1 18 18 HIS CA C 13 55.8 0.3 . 1 . . . . . 18 HIS CA . 53002 1 30 . 1 . 1 18 18 HIS CB C 13 29.4 0.3 . 1 . . . . . 18 HIS CB . 53002 1 31 . 1 . 1 18 18 HIS N N 15 112.2 0.3 . 1 . . . . . 18 HIS N . 53002 1 32 . 1 . 1 19 19 LEU H H 1 7.21 0.02 . 1 . . . . . 19 LEU H . 53002 1 33 . 1 . 1 19 19 LEU HA H 1 4.42 0.02 . 1 . . . . . 19 LEU HA . 53002 1 34 . 1 . 1 19 19 LEU N N 15 123.9 0.3 . 1 . . . . . 19 LEU N . 53002 1 35 . 1 . 1 21 21 ASN H H 1 8.87 0.02 . 1 . . . . . 21 ASN H . 53002 1 36 . 1 . 1 21 21 ASN HA H 1 4.36 0.02 . 1 . . . . . 21 ASN HA . 53002 1 37 . 1 . 1 21 21 ASN CA C 13 52.7 0.3 . 1 . . . . . 21 ASN CA . 53002 1 38 . 1 . 1 21 21 ASN CB C 13 38.6 0.3 . 1 . . . . . 21 ASN CB . 53002 1 39 . 1 . 1 21 21 ASN N N 15 113.9 0.3 . 1 . . . . . 21 ASN N . 53002 1 40 . 1 . 1 22 22 LEU H H 1 6.60 0.02 . 1 . . . . . 22 LEU H . 53002 1 41 . 1 . 1 22 22 LEU CA C 13 54.3 0.3 . 1 . . . . . 22 LEU CA . 53002 1 42 . 1 . 1 22 22 LEU N N 15 117.8 0.3 . 1 . . . . . 22 LEU N . 53002 1 43 . 1 . 1 23 23 ASN H H 1 8.55 0.02 . 1 . . . . . 23 ASN H . 53002 1 44 . 1 . 1 23 23 ASN HA H 1 4.42 0.02 . 1 . . . . . 23 ASN HA . 53002 1 45 . 1 . 1 23 23 ASN CA C 13 51.2 0.3 . 1 . . . . . 23 ASN CA . 53002 1 46 . 1 . 1 23 23 ASN CB C 13 38.6 0.3 . 1 . . . . . 23 ASN CB . 53002 1 47 . 1 . 1 23 23 ASN N N 15 119.4 0.3 . 1 . . . . . 23 ASN N . 53002 1 48 . 1 . 1 24 24 GLU H H 1 8.63 0.02 . 1 . . . . . 24 GLU H . 53002 1 49 . 1 . 1 24 24 GLU HA H 1 4.89 0.02 . 1 . . . . . 24 GLU HA . 53002 1 50 . 1 . 1 24 24 GLU CA C 13 59.9 0.3 . 1 . . . . . 24 GLU CA . 53002 1 51 . 1 . 1 24 24 GLU CB C 13 29.4 0.3 . 1 . . . . . 24 GLU CB . 53002 1 52 . 1 . 1 24 24 GLU N N 15 118.6 0.3 . 1 . . . . . 24 GLU N . 53002 1 53 . 1 . 1 25 25 GLU H H 1 8.28 0.02 . 1 . . . . . 25 GLU H . 53002 1 54 . 1 . 1 25 25 GLU HA H 1 3.94 0.02 . 1 . . . . . 25 GLU HA . 53002 1 55 . 1 . 1 25 25 GLU CA C 13 59.8 0.3 . 1 . . . . . 25 GLU CA . 53002 1 56 . 1 . 1 25 25 GLU N N 15 119.7 0.3 . 1 . . . . . 25 GLU N . 53002 1 57 . 1 . 1 26 26 GLN H H 1 8.54 0.02 . 1 . . . . . 26 GLN H . 53002 1 58 . 1 . 1 26 26 GLN HA H 1 4.05 0.02 . 1 . . . . . 26 GLN HA . 53002 1 59 . 1 . 1 26 26 GLN CA C 13 58.0 0.3 . 1 . . . . . 26 GLN CA . 53002 1 60 . 1 . 1 26 26 GLN N N 15 120.0 0.3 . 1 . . . . . 26 GLN N . 53002 1 61 . 1 . 1 27 27 ARG H H 1 8.60 0.02 . 1 . . . . . 27 ARG H . 53002 1 62 . 1 . 1 27 27 ARG HA H 1 3.92 0.02 . 1 . . . . . 27 ARG HA . 53002 1 63 . 1 . 1 27 27 ARG CA C 13 60.6 0.3 . 1 . . . . . 27 ARG CA . 53002 1 64 . 1 . 1 27 27 ARG CB C 13 30.4 0.3 . 1 . . . . . 27 ARG CB . 53002 1 65 . 1 . 1 27 27 ARG N N 15 118.8 0.3 . 1 . . . . . 27 ARG N . 53002 1 66 . 1 . 1 28 28 ASN H H 1 8.43 0.02 . 1 . . . . . 28 ASN H . 53002 1 67 . 1 . 1 28 28 ASN HA H 1 3.80 0.02 . 1 . . . . . 28 ASN HA . 53002 1 68 . 1 . 1 28 28 ASN CA C 13 56.0 0.3 . 1 . . . . . 28 ASN CA . 53002 1 69 . 1 . 1 28 28 ASN CB C 13 37.8 0.3 . 1 . . . . . 28 ASN CB . 53002 1 70 . 1 . 1 28 28 ASN N N 15 115.5 0.3 . 1 . . . . . 28 ASN N . 53002 1 71 . 1 . 1 29 29 ALA H H 1 7.93 0.02 . 1 . . . . . 29 ALA H . 53002 1 72 . 1 . 1 29 29 ALA HA H 1 4.60 0.02 . 1 . . . . . 29 ALA HA . 53002 1 73 . 1 . 1 29 29 ALA CA C 13 55.4 0.3 . 1 . . . . . 29 ALA CA . 53002 1 74 . 1 . 1 29 29 ALA CB C 13 18.3 0.3 . 1 . . . . . 29 ALA CB . 53002 1 75 . 1 . 1 29 29 ALA N N 15 122.7 0.3 . 1 . . . . . 29 ALA N . 53002 1 76 . 1 . 1 30 30 PHE H H 1 8.00 0.02 . 1 . . . . . 30 PHE H . 53002 1 77 . 1 . 1 30 30 PHE HA H 1 4.12 0.02 . 1 . . . . . 30 PHE HA . 53002 1 78 . 1 . 1 30 30 PHE CA C 13 61.9 0.3 . 1 . . . . . 30 PHE CA . 53002 1 79 . 1 . 1 30 30 PHE CB C 13 39.3 0.3 . 1 . . . . . 30 PHE CB . 53002 1 80 . 1 . 1 30 30 PHE N N 15 117.3 0.3 . 1 . . . . . 30 PHE N . 53002 1 81 . 1 . 1 31 31 ILE H H 1 8.35 0.02 . 1 . . . . . 31 ILE H . 53002 1 82 . 1 . 1 31 31 ILE HA H 1 4.40 0.02 . 1 . . . . . 31 ILE HA . 53002 1 83 . 1 . 1 31 31 ILE CA C 13 64.8 0.3 . 1 . . . . . 31 ILE CA . 53002 1 84 . 1 . 1 31 31 ILE CB C 13 37.0 0.3 . 1 . . . . . 31 ILE CB . 53002 1 85 . 1 . 1 31 31 ILE N N 15 119.1 0.3 . 1 . . . . . 31 ILE N . 53002 1 86 . 1 . 1 58 58 ALA H H 1 7.84 0.02 . 1 . . . . . 58 ALA H . 53002 1 87 . 1 . 1 58 58 ALA HA H 1 3.79 0.02 . 1 . . . . . 58 ALA HA . 53002 1 88 . 1 . 1 58 58 ALA HB1 H 1 1.74 0.02 . 1 . . . . . 58 ALA HB . 53002 1 89 . 1 . 1 58 58 ALA HB2 H 1 1.74 0.02 . 1 . . . . . 58 ALA HB . 53002 1 90 . 1 . 1 58 58 ALA HB3 H 1 1.74 0.02 . 1 . . . . . 58 ALA HB . 53002 1 91 . 1 . 1 58 58 ALA CA C 13 55.0 0.3 . 1 . . . . . 58 ALA CA . 53002 1 92 . 1 . 1 58 58 ALA CB C 13 17.9 0.3 . 1 . . . . . 58 ALA CB . 53002 1 93 . 1 . 1 58 58 ALA N N 15 120.4 0.3 . 1 . . . . . 58 ALA N . 53002 1 94 . 1 . 1 60 60 ALA H H 1 8.14 0.02 . 1 . . . . . 60 ALA H . 53002 1 95 . 1 . 1 60 60 ALA HA H 1 4.05 0.02 . 1 . . . . . 60 ALA HA . 53002 1 96 . 1 . 1 60 60 ALA CA C 13 55.2 0.3 . 1 . . . . . 60 ALA CA . 53002 1 97 . 1 . 1 60 60 ALA CB C 13 17.0 0.3 . 1 . . . . . 60 ALA CB . 53002 1 98 . 1 . 1 60 60 ALA N N 15 123.7 0.3 . 1 . . . . . 60 ALA N . 53002 1 99 . 1 . 1 61 61 LYS H H 1 8.43 0.02 . 1 . . . . . 61 LYS H . 53002 1 100 . 1 . 1 61 61 LYS HA H 1 3.51 0.02 . 1 . . . . . 61 LYS HA . 53002 1 101 . 1 . 1 61 61 LYS CA C 13 60.0 0.3 . 1 . . . . . 61 LYS CA . 53002 1 102 . 1 . 1 61 61 LYS CB C 13 32.1 0.3 . 1 . . . . . 61 LYS CB . 53002 1 103 . 1 . 1 61 61 LYS N N 15 118.3 0.3 . 1 . . . . . 61 LYS N . 53002 1 104 . 1 . 1 63 63 LEU H H 1 7.84 0.02 . 1 . . . . . 63 LEU H . 53002 1 105 . 1 . 1 63 63 LEU HA H 1 4.10 0.02 . 1 . . . . . 63 LEU HA . 53002 1 106 . 1 . 1 63 63 LEU CA C 13 57.6 0.3 . 1 . . . . . 63 LEU CA . 53002 1 107 . 1 . 1 63 63 LEU CB C 13 41.8 0.3 . 1 . . . . . 63 LEU CB . 53002 1 108 . 1 . 1 63 63 LEU N N 15 122.0 0.3 . 1 . . . . . 63 LEU N . 53002 1 109 . 1 . 1 64 64 ASN H H 1 8.45 0.02 . 1 . . . . . 64 ASN H . 53002 1 110 . 1 . 1 64 64 ASN HA H 1 4.18 0.02 . 1 . . . . . 64 ASN HA . 53002 1 111 . 1 . 1 64 64 ASN CA C 13 57.7 0.3 . 1 . . . . . 64 ASN CA . 53002 1 112 . 1 . 1 64 64 ASN N N 15 116.9 0.3 . 1 . . . . . 64 ASN N . 53002 1 113 . 1 . 1 65 65 ASP H H 1 8.21 0.02 . 1 . . . . . 65 ASP H . 53002 1 114 . 1 . 1 65 65 ASP HA H 1 3.98 0.02 . 1 . . . . . 65 ASP HA . 53002 1 115 . 1 . 1 65 65 ASP CA C 13 56.9 0.3 . 1 . . . . . 65 ASP CA . 53002 1 116 . 1 . 1 65 65 ASP CB C 13 40.0 0.3 . 1 . . . . . 65 ASP CB . 53002 1 117 . 1 . 1 65 65 ASP N N 15 118.8 0.3 . 1 . . . . . 65 ASP N . 53002 1 118 . 1 . 1 66 66 ALA H H 1 8.05 0.02 . 1 . . . . . 66 ALA H . 53002 1 119 . 1 . 1 66 66 ALA HA H 1 4.46 0.02 . 1 . . . . . 66 ALA HA . 53002 1 120 . 1 . 1 66 66 ALA CA C 13 54.2 0.3 . 1 . . . . . 66 ALA CA . 53002 1 121 . 1 . 1 66 66 ALA CB C 13 18.5 0.3 . 1 . . . . . 66 ALA CB . 53002 1 122 . 1 . 1 66 66 ALA N N 15 123.1 0.3 . 1 . . . . . 66 ALA N . 53002 1 123 . 1 . 1 67 67 GLN H H 1 7.52 0.02 . 1 . . . . . 67 GLN H . 53002 1 124 . 1 . 1 67 67 GLN HA H 1 4.25 0.02 . 1 . . . . . 67 GLN HA . 53002 1 125 . 1 . 1 67 67 GLN CA C 13 54.9 0.3 . 1 . . . . . 67 GLN CA . 53002 1 126 . 1 . 1 67 67 GLN CB C 13 28.3 0.3 . 1 . . . . . 67 GLN CB . 53002 1 127 . 1 . 1 67 67 GLN N N 15 115.1 0.3 . 1 . . . . . 67 GLN N . 53002 1 128 . 1 . 1 68 68 ALA H H 1 7.21 0.02 . 1 . . . . . 68 ALA H . 53002 1 129 . 1 . 1 68 68 ALA HA H 1 4.37 0.02 . 1 . . . . . 68 ALA HA . 53002 1 130 . 1 . 1 68 68 ALA CA C 13 51.0 0.3 . 1 . . . . . 68 ALA CA . 53002 1 131 . 1 . 1 68 68 ALA CB C 13 17.9 0.3 . 1 . . . . . 68 ALA CB . 53002 1 132 . 1 . 1 68 68 ALA N N 15 124.5 0.3 . 1 . . . . . 68 ALA N . 53002 1 133 . 1 . 1 70 70 LYS H H 1 8.46 0.02 . 1 . . . . . 70 LYS H . 53002 1 134 . 1 . 1 70 70 LYS HA H 1 4.42 0.02 . 1 . . . . . 70 LYS HA . 53002 1 135 . 1 . 1 70 70 LYS HB2 H 1 1.91 0.02 . 1 . . . . . 70 LYS HB2 . 53002 1 136 . 1 . 1 70 70 LYS CA C 13 55.6 0.3 . 1 . . . . . 70 LYS CA . 53002 1 137 . 1 . 1 70 70 LYS CB C 13 33.3 0.3 . 1 . . . . . 70 LYS CB . 53002 1 138 . 1 . 1 70 70 LYS N N 15 122.0 0.3 . 1 . . . . . 70 LYS N . 53002 1 139 . 1 . 1 71 71 ALA H H 1 8.36 0.02 . 1 . . . . . 71 ALA H . 53002 1 140 . 1 . 1 71 71 ALA HA H 1 4.35 0.02 . 1 . . . . . 71 ALA HA . 53002 1 141 . 1 . 1 71 71 ALA HB1 H 1 1.80 0.02 . 1 . . . . . 71 ALA HB . 53002 1 142 . 1 . 1 71 71 ALA HB2 H 1 1.80 0.02 . 1 . . . . . 71 ALA HB . 53002 1 143 . 1 . 1 71 71 ALA HB3 H 1 1.80 0.02 . 1 . . . . . 71 ALA HB . 53002 1 144 . 1 . 1 71 71 ALA CA C 13 52.3 0.3 . 1 . . . . . 71 ALA CA . 53002 1 145 . 1 . 1 71 71 ALA CB C 13 19.2 0.3 . 1 . . . . . 71 ALA CB . 53002 1 146 . 1 . 1 71 71 ALA N N 15 125.2 0.3 . 1 . . . . . 71 ALA N . 53002 1 147 . 1 . 1 72 72 ASP H H 1 8.08 0.02 . 1 . . . . . 72 ASP H . 53002 1 148 . 1 . 1 72 72 ASP HA H 1 4.12 0.02 . 1 . . . . . 72 ASP HA . 53002 1 149 . 1 . 1 72 72 ASP CA C 13 54.0 0.3 . 1 . . . . . 72 ASP CA . 53002 1 150 . 1 . 1 72 72 ASP CB C 13 41.3 0.3 . 1 . . . . . 72 ASP CB . 53002 1 151 . 1 . 1 72 72 ASP N N 15 119.8 0.3 . 1 . . . . . 72 ASP N . 53002 1 152 . 1 . 1 73 73 ASN H H 1 8.29 0.02 . 1 . . . . . 73 ASN H . 53002 1 153 . 1 . 1 73 73 ASN HA H 1 4.45 0.02 . 1 . . . . . 73 ASN HA . 53002 1 154 . 1 . 1 73 73 ASN CA C 13 53.6 0.3 . 1 . . . . . 73 ASN CA . 53002 1 155 . 1 . 1 73 73 ASN CB C 13 38.7 0.3 . 1 . . . . . 73 ASN CB . 53002 1 156 . 1 . 1 73 73 ASN N N 15 119.8 0.3 . 1 . . . . . 73 ASN N . 53002 1 157 . 1 . 1 74 74 LYS H H 1 8.32 0.02 . 1 . . . . . 74 LYS H . 53002 1 158 . 1 . 1 74 74 LYS HA H 1 4.56 0.02 . 1 . . . . . 74 LYS HA . 53002 1 159 . 1 . 1 74 74 LYS CA C 13 56.5 0.3 . 1 . . . . . 74 LYS CA . 53002 1 160 . 1 . 1 74 74 LYS CB C 13 32.3 0.3 . 1 . . . . . 74 LYS CB . 53002 1 161 . 1 . 1 74 74 LYS N N 15 120.6 0.3 . 1 . . . . . 74 LYS N . 53002 1 162 . 1 . 1 75 75 PHE H H 1 8.05 0.02 . 1 . . . . . 75 PHE H . 53002 1 163 . 1 . 1 75 75 PHE HA H 1 4.17 0.02 . 1 . . . . . 75 PHE HA . 53002 1 164 . 1 . 1 75 75 PHE CA C 13 55.7 0.3 . 1 . . . . . 75 PHE CA . 53002 1 165 . 1 . 1 75 75 PHE CB C 13 39.6 0.3 . 1 . . . . . 75 PHE CB . 53002 1 166 . 1 . 1 75 75 PHE N N 15 119.6 0.3 . 1 . . . . . 75 PHE N . 53002 1 167 . 1 . 1 76 76 ASN H H 1 8.52 0.02 . 1 . . . . . 76 ASN H . 53002 1 168 . 1 . 1 76 76 ASN HA H 1 4.96 0.02 . 1 . . . . . 76 ASN HA . 53002 1 169 . 1 . 1 76 76 ASN HB2 H 1 3.07 0.02 . 1 . . . . . 76 ASN HB2 . 53002 1 170 . 1 . 1 76 76 ASN CA C 13 52.2 0.3 . 1 . . . . . 76 ASN CA . 53002 1 171 . 1 . 1 76 76 ASN CB C 13 38.2 0.3 . 1 . . . . . 76 ASN CB . 53002 1 172 . 1 . 1 76 76 ASN N N 15 121.0 0.3 . 1 . . . . . 76 ASN N . 53002 1 173 . 1 . 1 77 77 LYS H H 1 8.39 0.02 . 1 . . . . . 77 LYS H . 53002 1 174 . 1 . 1 77 77 LYS HA H 1 4.72 0.02 . 1 . . . . . 77 LYS HA . 53002 1 175 . 1 . 1 77 77 LYS CA C 13 59.7 0.3 . 1 . . . . . 77 LYS CA . 53002 1 176 . 1 . 1 77 77 LYS CB C 13 32.1 0.3 . 1 . . . . . 77 LYS CB . 53002 1 177 . 1 . 1 77 77 LYS N N 15 119.6 0.3 . 1 . . . . . 77 LYS N . 53002 1 178 . 1 . 1 78 78 GLU H H 1 8.26 0.02 . 1 . . . . . 78 GLU H . 53002 1 179 . 1 . 1 78 78 GLU HA H 1 3.98 0.02 . 1 . . . . . 78 GLU HA . 53002 1 180 . 1 . 1 78 78 GLU CA C 13 59.7 0.3 . 1 . . . . . 78 GLU CA . 53002 1 181 . 1 . 1 78 78 GLU CB C 13 29.0 0.3 . 1 . . . . . 78 GLU CB . 53002 1 182 . 1 . 1 78 78 GLU N N 15 119.7 0.3 . 1 . . . . . 78 GLU N . 53002 1 183 . 1 . 1 79 79 GLN H H 1 8.55 0.02 . 1 . . . . . 79 GLN H . 53002 1 184 . 1 . 1 79 79 GLN HA H 1 4.10 0.02 . 1 . . . . . 79 GLN HA . 53002 1 185 . 1 . 1 79 79 GLN CA C 13 58.8 0.3 . 1 . . . . . 79 GLN CA . 53002 1 186 . 1 . 1 79 79 GLN CB C 13 27.7 0.3 . 1 . . . . . 79 GLN CB . 53002 1 187 . 1 . 1 79 79 GLN N N 15 121.4 0.3 . 1 . . . . . 79 GLN N . 53002 1 188 . 1 . 1 80 80 GLN H H 1 8.64 0.02 . 1 . . . . . 80 GLN H . 53002 1 189 . 1 . 1 80 80 GLN HA H 1 3.86 0.02 . 1 . . . . . 80 GLN HA . 53002 1 190 . 1 . 1 80 80 GLN HB2 H 1 1.64 0.02 . 1 . . . . . 80 GLN HB2 . 53002 1 191 . 1 . 1 80 80 GLN CA C 13 58.8 0.3 . 1 . . . . . 80 GLN CA . 53002 1 192 . 1 . 1 80 80 GLN CB C 13 28.5 0.3 . 1 . . . . . 80 GLN CB . 53002 1 193 . 1 . 1 80 80 GLN N N 15 118.8 0.3 . 1 . . . . . 80 GLN N . 53002 1 194 . 1 . 1 81 81 ASN H H 1 8.37 0.02 . 1 . . . . . 81 ASN H . 53002 1 195 . 1 . 1 81 81 ASN HA H 1 3.97 0.02 . 1 . . . . . 81 ASN HA . 53002 1 196 . 1 . 1 81 81 ASN CA C 13 56.0 0.3 . 1 . . . . . 81 ASN CA . 53002 1 197 . 1 . 1 81 81 ASN CB C 13 38.1 0.3 . 1 . . . . . 81 ASN CB . 53002 1 198 . 1 . 1 81 81 ASN N N 15 117.9 0.3 . 1 . . . . . 81 ASN N . 53002 1 199 . 1 . 1 82 82 ALA H H 1 7.93 0.02 . 1 . . . . . 82 ALA H . 53002 1 200 . 1 . 1 82 82 ALA HA H 1 4.42 0.02 . 1 . . . . . 82 ALA HA . 53002 1 201 . 1 . 1 82 82 ALA CA C 13 55.2 0.3 . 1 . . . . . 82 ALA CA . 53002 1 202 . 1 . 1 82 82 ALA CB C 13 17.8 0.3 . 1 . . . . . 82 ALA CB . 53002 1 203 . 1 . 1 82 82 ALA N N 15 123.1 0.3 . 1 . . . . . 82 ALA N . 53002 1 204 . 1 . 1 83 83 PHE H H 1 8.23 0.02 . 1 . . . . . 83 PHE H . 53002 1 205 . 1 . 1 83 83 PHE HA H 1 4.11 0.02 . 1 . . . . . 83 PHE HA . 53002 1 206 . 1 . 1 83 83 PHE CA C 13 60.8 0.3 . 1 . . . . . 83 PHE CA . 53002 1 207 . 1 . 1 83 83 PHE CB C 13 38.8 0.3 . 1 . . . . . 83 PHE CB . 53002 1 208 . 1 . 1 83 83 PHE N N 15 117.9 0.3 . 1 . . . . . 83 PHE N . 53002 1 209 . 1 . 1 84 84 TYR H H 1 8.10 0.02 . 1 . . . . . 84 TYR H . 53002 1 210 . 1 . 1 84 84 TYR HA H 1 3.86 0.02 . 1 . . . . . 84 TYR HA . 53002 1 211 . 1 . 1 84 84 TYR HB2 H 1 3.04 0.02 . 1 . . . . . 84 TYR HB2 . 53002 1 212 . 1 . 1 84 84 TYR CA C 13 62.1 0.3 . 1 . . . . . 84 TYR CA . 53002 1 213 . 1 . 1 84 84 TYR CB C 13 38.0 0.3 . 1 . . . . . 84 TYR CB . 53002 1 214 . 1 . 1 84 84 TYR N N 15 117.0 0.3 . 1 . . . . . 84 TYR N . 53002 1 215 . 1 . 1 85 85 GLU H H 1 8.45 0.02 . 1 . . . . . 85 GLU H . 53002 1 216 . 1 . 1 85 85 GLU HA H 1 3.97 0.02 . 1 . . . . . 85 GLU HA . 53002 1 217 . 1 . 1 85 85 GLU CA C 13 60.4 0.3 . 1 . . . . . 85 GLU CA . 53002 1 218 . 1 . 1 85 85 GLU CB C 13 29.8 0.3 . 1 . . . . . 85 GLU CB . 53002 1 219 . 1 . 1 85 85 GLU N N 15 119.2 0.3 . 1 . . . . . 85 GLU N . 53002 1 220 . 1 . 1 86 86 ILE H H 1 8.39 0.02 . 1 . . . . . 86 ILE H . 53002 1 221 . 1 . 1 86 86 ILE HA H 1 3.99 0.02 . 1 . . . . . 86 ILE HA . 53002 1 222 . 1 . 1 86 86 ILE HB H 1 2.13 0.02 . 1 . . . . . 86 ILE HB . 53002 1 223 . 1 . 1 86 86 ILE CA C 13 65.2 0.3 . 1 . . . . . 86 ILE CA . 53002 1 224 . 1 . 1 86 86 ILE CB C 13 37.3 0.3 . 1 . . . . . 86 ILE CB . 53002 1 225 . 1 . 1 86 86 ILE N N 15 119.4 0.3 . 1 . . . . . 86 ILE N . 53002 1 226 . 1 . 1 87 87 LEU H H 1 7.97 0.02 . 1 . . . . . 87 LEU H . 53002 1 227 . 1 . 1 87 87 LEU HA H 1 3.48 0.02 . 1 . . . . . 87 LEU HA . 53002 1 228 . 1 . 1 87 87 LEU CA C 13 57.4 0.3 . 1 . . . . . 87 LEU CA . 53002 1 229 . 1 . 1 87 87 LEU CB C 13 41.8 0.3 . 1 . . . . . 87 LEU CB . 53002 1 230 . 1 . 1 87 87 LEU N N 15 118.1 0.3 . 1 . . . . . 87 LEU N . 53002 1 231 . 1 . 1 88 88 HIS H H 1 7.23 0.02 . 1 . . . . . 88 HIS H . 53002 1 232 . 1 . 1 88 88 HIS HA H 1 3.72 0.02 . 1 . . . . . 88 HIS HA . 53002 1 233 . 1 . 1 88 88 HIS CA C 13 55.9 0.3 . 1 . . . . . 88 HIS CA . 53002 1 234 . 1 . 1 88 88 HIS CB C 13 29.5 0.3 . 1 . . . . . 88 HIS CB . 53002 1 235 . 1 . 1 88 88 HIS N N 15 112.3 0.3 . 1 . . . . . 88 HIS N . 53002 1 236 . 1 . 1 89 89 LEU H H 1 7.24 0.02 . 1 . . . . . 89 LEU H . 53002 1 237 . 1 . 1 89 89 LEU HA H 1 4.48 0.02 . 1 . . . . . 89 LEU HA . 53002 1 238 . 1 . 1 89 89 LEU CA C 13 53.2 0.3 . 1 . . . . . 89 LEU CA . 53002 1 239 . 1 . 1 89 89 LEU CB C 13 40.3 0.3 . 1 . . . . . 89 LEU CB . 53002 1 240 . 1 . 1 89 89 LEU N N 15 124.4 0.3 . 1 . . . . . 89 LEU N . 53002 1 241 . 1 . 1 91 91 ASN H H 1 8.92 0.02 . 1 . . . . . 91 ASN H . 53002 1 242 . 1 . 1 91 91 ASN HA H 1 4.44 0.02 . 1 . . . . . 91 ASN HA . 53002 1 243 . 1 . 1 91 91 ASN HB2 H 1 1.99 0.02 . 1 . . . . . 91 ASN HB2 . 53002 1 244 . 1 . 1 91 91 ASN CA C 13 52.5 0.3 . 1 . . . . . 91 ASN CA . 53002 1 245 . 1 . 1 91 91 ASN CB C 13 38.7 0.3 . 1 . . . . . 91 ASN CB . 53002 1 246 . 1 . 1 91 91 ASN N N 15 114.4 0.3 . 1 . . . . . 91 ASN N . 53002 1 247 . 1 . 1 92 92 LEU H H 1 6.55 0.02 . 1 . . . . . 92 LEU H . 53002 1 248 . 1 . 1 92 92 LEU HA H 1 5.03 0.02 . 1 . . . . . 92 LEU HA . 53002 1 249 . 1 . 1 92 92 LEU CA C 13 54.0 0.3 . 1 . . . . . 92 LEU CA . 53002 1 250 . 1 . 1 92 92 LEU CB C 13 43.6 0.3 . 1 . . . . . 92 LEU CB . 53002 1 251 . 1 . 1 92 92 LEU N N 15 117.0 0.3 . 1 . . . . . 92 LEU N . 53002 1 252 . 1 . 1 93 93 THR H H 1 8.84 0.02 . 1 . . . . . 93 THR H . 53002 1 253 . 1 . 1 93 93 THR HA H 1 4.60 0.02 . 1 . . . . . 93 THR HA . 53002 1 254 . 1 . 1 93 93 THR CA C 13 60.4 0.3 . 1 . . . . . 93 THR CA . 53002 1 255 . 1 . 1 93 93 THR CB C 13 70.4 0.3 . 1 . . . . . 93 THR CB . 53002 1 256 . 1 . 1 93 93 THR N N 15 112.8 0.3 . 1 . . . . . 93 THR N . 53002 1 257 . 1 . 1 94 94 GLU H H 1 9.05 0.02 . 1 . . . . . 94 GLU H . 53002 1 258 . 1 . 1 94 94 GLU HA H 1 4.50 0.02 . 1 . . . . . 94 GLU HA . 53002 1 259 . 1 . 1 94 94 GLU CA C 13 59.7 0.3 . 1 . . . . . 94 GLU CA . 53002 1 260 . 1 . 1 94 94 GLU CB C 13 29.0 0.3 . 1 . . . . . 94 GLU CB . 53002 1 261 . 1 . 1 94 94 GLU N N 15 122.0 0.3 . 1 . . . . . 94 GLU N . 53002 1 262 . 1 . 1 95 95 GLU H H 1 8.61 0.02 . 1 . . . . . 95 GLU H . 53002 1 263 . 1 . 1 95 95 GLU HA H 1 3.96 0.02 . 1 . . . . . 95 GLU HA . 53002 1 264 . 1 . 1 95 95 GLU CA C 13 59.7 0.3 . 1 . . . . . 95 GLU CA . 53002 1 265 . 1 . 1 95 95 GLU CB C 13 29.1 0.3 . 1 . . . . . 95 GLU CB . 53002 1 266 . 1 . 1 95 95 GLU N N 15 118.0 0.3 . 1 . . . . . 95 GLU N . 53002 1 267 . 1 . 1 96 96 GLN H H 1 7.76 0.02 . 1 . . . . . 96 GLN H . 53002 1 268 . 1 . 1 96 96 GLN HA H 1 4.01 0.02 . 1 . . . . . 96 GLN HA . 53002 1 269 . 1 . 1 96 96 GLN HB2 H 1 1.88 0.02 . 1 . . . . . 96 GLN HB2 . 53002 1 270 . 1 . 1 96 96 GLN CA C 13 57.9 0.3 . 1 . . . . . 96 GLN CA . 53002 1 271 . 1 . 1 96 96 GLN CB C 13 28.5 0.3 . 1 . . . . . 96 GLN CB . 53002 1 272 . 1 . 1 96 96 GLN N N 15 119.4 0.3 . 1 . . . . . 96 GLN N . 53002 1 273 . 1 . 1 97 97 ARG H H 1 8.77 0.02 . 1 . . . . . 97 ARG H . 53002 1 274 . 1 . 1 97 97 ARG HA H 1 3.79 0.02 . 1 . . . . . 97 ARG HA . 53002 1 275 . 1 . 1 97 97 ARG HB2 H 1 1.61 0.02 . 1 . . . . . 97 ARG HB2 . 53002 1 276 . 1 . 1 97 97 ARG CA C 13 60.7 0.3 . 1 . . . . . 97 ARG CA . 53002 1 277 . 1 . 1 97 97 ARG CB C 13 30.4 0.3 . 1 . . . . . 97 ARG CB . 53002 1 278 . 1 . 1 97 97 ARG N N 15 119.9 0.3 . 1 . . . . . 97 ARG N . 53002 1 279 . 1 . 1 98 98 ASN H H 1 8.67 0.02 . 1 . . . . . 98 ASN H . 53002 1 280 . 1 . 1 98 98 ASN HA H 1 3.78 0.02 . 1 . . . . . 98 ASN HA . 53002 1 281 . 1 . 1 98 98 ASN CA C 13 55.8 0.3 . 1 . . . . . 98 ASN CA . 53002 1 282 . 1 . 1 98 98 ASN CB C 13 37.6 0.3 . 1 . . . . . 98 ASN CB . 53002 1 283 . 1 . 1 98 98 ASN N N 15 115.8 0.3 . 1 . . . . . 98 ASN N . 53002 1 284 . 1 . 1 99 99 GLY H H 1 7.91 0.02 . 1 . . . . . 99 GLY H . 53002 1 285 . 1 . 1 99 99 GLY CA C 13 47.0 0.3 . 1 . . . . . 99 GLY CA . 53002 1 286 . 1 . 1 99 99 GLY N N 15 108.6 0.3 . 1 . . . . . 99 GLY N . 53002 1 287 . 1 . 1 100 100 PHE H H 1 7.79 0.02 . 1 . . . . . 100 PHE H . 53002 1 288 . 1 . 1 100 100 PHE HA H 1 3.80 0.02 . 1 . . . . . 100 PHE HA . 53002 1 289 . 1 . 1 100 100 PHE CA C 13 60.6 0.3 . 1 . . . . . 100 PHE CA . 53002 1 290 . 1 . 1 100 100 PHE CB C 13 39.0 0.3 . 1 . . . . . 100 PHE CB . 53002 1 291 . 1 . 1 100 100 PHE N N 15 121.1 0.3 . 1 . . . . . 100 PHE N . 53002 1 292 . 1 . 1 101 101 ILE H H 1 8.40 0.02 . 1 . . . . . 101 ILE H . 53002 1 293 . 1 . 1 101 101 ILE HA H 1 4.61 0.02 . 1 . . . . . 101 ILE HA . 53002 1 294 . 1 . 1 101 101 ILE CA C 13 64.7 0.3 . 1 . . . . . 101 ILE CA . 53002 1 295 . 1 . 1 101 101 ILE CB C 13 36.9 0.3 . 1 . . . . . 101 ILE CB . 53002 1 296 . 1 . 1 101 101 ILE N N 15 119.1 0.3 . 1 . . . . . 101 ILE N . 53002 1 297 . 1 . 1 102 102 GLN H H 1 8.31 0.02 . 1 . . . . . 102 GLN H . 53002 1 298 . 1 . 1 102 102 GLN HA H 1 3.72 0.02 . 1 . . . . . 102 GLN HA . 53002 1 299 . 1 . 1 102 102 GLN CA C 13 58.6 0.3 . 1 . . . . . 102 GLN CA . 53002 1 300 . 1 . 1 102 102 GLN CB C 13 28.0 0.3 . 1 . . . . . 102 GLN CB . 53002 1 301 . 1 . 1 102 102 GLN N N 15 119.3 0.3 . 1 . . . . . 102 GLN N . 53002 1 302 . 1 . 1 103 103 SER H H 1 8.05 0.02 . 1 . . . . . 103 SER H . 53002 1 303 . 1 . 1 103 103 SER HA H 1 3.91 0.02 . 1 . . . . . 103 SER HA . 53002 1 304 . 1 . 1 103 103 SER CA C 13 62.7 0.3 . 1 . . . . . 103 SER CA . 53002 1 305 . 1 . 1 103 103 SER N N 15 115.4 0.3 . 1 . . . . . 103 SER N . 53002 1 306 . 1 . 1 104 104 LEU H H 1 7.99 0.02 . 1 . . . . . 104 LEU H . 53002 1 307 . 1 . 1 104 104 LEU HA H 1 4.31 0.02 . 1 . . . . . 104 LEU HA . 53002 1 308 . 1 . 1 104 104 LEU CA C 13 57.4 0.3 . 1 . . . . . 104 LEU CA . 53002 1 309 . 1 . 1 104 104 LEU CB C 13 42.7 0.3 . 1 . . . . . 104 LEU CB . 53002 1 310 . 1 . 1 104 104 LEU N N 15 122.6 0.3 . 1 . . . . . 104 LEU N . 53002 1 311 . 1 . 1 105 105 LYS H H 1 8.00 0.02 . 1 . . . . . 105 LYS H . 53002 1 312 . 1 . 1 105 105 LYS HA H 1 3.89 0.02 . 1 . . . . . 105 LYS HA . 53002 1 313 . 1 . 1 105 105 LYS HB2 H 1 1.67 0.02 . 1 . . . . . 105 LYS HB2 . 53002 1 314 . 1 . 1 105 105 LYS CA C 13 59.4 0.3 . 1 . . . . . 105 LYS CA . 53002 1 315 . 1 . 1 105 105 LYS CB C 13 32.6 0.3 . 1 . . . . . 105 LYS CB . 53002 1 316 . 1 . 1 105 105 LYS N N 15 116.5 0.3 . 1 . . . . . 105 LYS N . 53002 1 317 . 1 . 1 106 106 ASP H H 1 8.17 0.02 . 1 . . . . . 106 ASP H . 53002 1 318 . 1 . 1 106 106 ASP HA H 1 4.01 0.02 . 1 . . . . . 106 ASP HA . 53002 1 319 . 1 . 1 106 106 ASP CA C 13 56.5 0.3 . 1 . . . . . 106 ASP CA . 53002 1 320 . 1 . 1 106 106 ASP CB C 13 40.8 0.3 . 1 . . . . . 106 ASP CB . 53002 1 321 . 1 . 1 106 106 ASP N N 15 118.3 0.3 . 1 . . . . . 106 ASP N . 53002 1 322 . 1 . 1 107 107 ASP H H 1 7.55 0.02 . 1 . . . . . 107 ASP H . 53002 1 323 . 1 . 1 107 107 ASP HA H 1 4.42 0.02 . 1 . . . . . 107 ASP HA . 53002 1 324 . 1 . 1 107 107 ASP CA C 13 51.6 0.3 . 1 . . . . . 107 ASP CA . 53002 1 325 . 1 . 1 107 107 ASP N N 15 114.6 0.3 . 1 . . . . . 107 ASP N . 53002 1 326 . 1 . 1 109 109 SER H H 1 8.19 0.02 . 1 . . . . . 109 SER H . 53002 1 327 . 1 . 1 109 109 SER HA H 1 4.48 0.02 . 1 . . . . . 109 SER HA . 53002 1 328 . 1 . 1 109 109 SER CA C 13 61.1 0.3 . 1 . . . . . 109 SER CA . 53002 1 329 . 1 . 1 109 109 SER CB C 13 63.1 0.3 . 1 . . . . . 109 SER CB . 53002 1 330 . 1 . 1 109 109 SER N N 15 113.1 0.3 . 1 . . . . . 109 SER N . 53002 1 331 . 1 . 1 110 110 VAL H H 1 7.30 0.02 . 1 . . . . . 110 VAL H . 53002 1 332 . 1 . 1 110 110 VAL HA H 1 4.25 0.02 . 1 . . . . . 110 VAL HA . 53002 1 333 . 1 . 1 110 110 VAL CA C 13 60.8 0.3 . 1 . . . . . 110 VAL CA . 53002 1 334 . 1 . 1 110 110 VAL CB C 13 30.3 0.3 . 1 . . . . . 110 VAL CB . 53002 1 335 . 1 . 1 110 110 VAL N N 15 115.2 0.3 . 1 . . . . . 110 VAL N . 53002 1 336 . 1 . 1 111 111 SER H H 1 7.58 0.02 . 1 . . . . . 111 SER H . 53002 1 337 . 1 . 1 111 111 SER HA H 1 4.87 0.02 . 1 . . . . . 111 SER HA . 53002 1 338 . 1 . 1 111 111 SER CA C 13 63.1 0.3 . 1 . . . . . 111 SER CA . 53002 1 339 . 1 . 1 111 111 SER N N 15 116.7 0.3 . 1 . . . . . 111 SER N . 53002 1 340 . 1 . 1 112 112 LYS H H 1 8.52 0.02 . 1 . . . . . 112 LYS H . 53002 1 341 . 1 . 1 112 112 LYS HA H 1 3.80 0.02 . 1 . . . . . 112 LYS HA . 53002 1 342 . 1 . 1 112 112 LYS CA C 13 60.1 0.3 . 1 . . . . . 112 LYS CA . 53002 1 343 . 1 . 1 112 112 LYS CB C 13 31.8 0.3 . 1 . . . . . 112 LYS CB . 53002 1 344 . 1 . 1 112 112 LYS N N 15 120.5 0.3 . 1 . . . . . 112 LYS N . 53002 1 345 . 1 . 1 113 113 GLU H H 1 8.28 0.02 . 1 . . . . . 113 GLU H . 53002 1 346 . 1 . 1 113 113 GLU HA H 1 3.95 0.02 . 1 . . . . . 113 GLU HA . 53002 1 347 . 1 . 1 113 113 GLU CA C 13 59.9 0.3 . 1 . . . . . 113 GLU CA . 53002 1 348 . 1 . 1 113 113 GLU CB C 13 28.9 0.3 . 1 . . . . . 113 GLU CB . 53002 1 349 . 1 . 1 113 113 GLU N N 15 121.6 0.3 . 1 . . . . . 113 GLU N . 53002 1 350 . 1 . 1 114 114 ILE H H 1 8.32 0.02 . 1 . . . . . 114 ILE H . 53002 1 351 . 1 . 1 114 114 ILE HA H 1 4.10 0.02 . 1 . . . . . 114 ILE HA . 53002 1 352 . 1 . 1 114 114 ILE HB H 1 2.28 0.02 . 1 . . . . . 114 ILE HB . 53002 1 353 . 1 . 1 114 114 ILE CA C 13 63.9 0.3 . 1 . . . . . 114 ILE CA . 53002 1 354 . 1 . 1 114 114 ILE CB C 13 37.5 0.3 . 1 . . . . . 114 ILE CB . 53002 1 355 . 1 . 1 114 114 ILE N N 15 122.2 0.3 . 1 . . . . . 114 ILE N . 53002 1 356 . 1 . 1 115 115 LEU H H 1 8.33 0.02 . 1 . . . . . 115 LEU H . 53002 1 357 . 1 . 1 115 115 LEU HA H 1 3.81 0.02 . 1 . . . . . 115 LEU HA . 53002 1 358 . 1 . 1 115 115 LEU CA C 13 57.9 0.3 . 1 . . . . . 115 LEU CA . 53002 1 359 . 1 . 1 115 115 LEU CB C 13 41.7 0.3 . 1 . . . . . 115 LEU CB . 53002 1 360 . 1 . 1 115 115 LEU N N 15 119.4 0.3 . 1 . . . . . 115 LEU N . 53002 1 361 . 1 . 1 116 116 ALA H H 1 7.69 0.02 . 1 . . . . . 116 ALA H . 53002 1 362 . 1 . 1 116 116 ALA HA H 1 3.79 0.02 . 1 . . . . . 116 ALA HA . 53002 1 363 . 1 . 1 116 116 ALA HB1 H 1 1.83 0.02 . 1 . . . . . 116 ALA HB . 53002 1 364 . 1 . 1 116 116 ALA HB2 H 1 1.83 0.02 . 1 . . . . . 116 ALA HB . 53002 1 365 . 1 . 1 116 116 ALA HB3 H 1 1.83 0.02 . 1 . . . . . 116 ALA HB . 53002 1 366 . 1 . 1 116 116 ALA CA C 13 55.1 0.3 . 1 . . . . . 116 ALA CA . 53002 1 367 . 1 . 1 116 116 ALA CB C 13 17.8 0.3 . 1 . . . . . 116 ALA CB . 53002 1 368 . 1 . 1 116 116 ALA N N 15 119.3 0.3 . 1 . . . . . 116 ALA N . 53002 1 369 . 1 . 1 117 117 GLU H H 1 7.87 0.02 . 1 . . . . . 117 GLU H . 53002 1 370 . 1 . 1 117 117 GLU HA H 1 4.01 0.02 . 1 . . . . . 117 GLU HA . 53002 1 371 . 1 . 1 117 117 GLU CA C 13 59.1 0.3 . 1 . . . . . 117 GLU CA . 53002 1 372 . 1 . 1 117 117 GLU CB C 13 29.2 0.3 . 1 . . . . . 117 GLU CB . 53002 1 373 . 1 . 1 117 117 GLU N N 15 120.1 0.3 . 1 . . . . . 117 GLU N . 53002 1 374 . 1 . 1 118 118 ALA H H 1 8.33 0.02 . 1 . . . . . 118 ALA H . 53002 1 375 . 1 . 1 118 118 ALA HA H 1 4.01 0.02 . 1 . . . . . 118 ALA HA . 53002 1 376 . 1 . 1 118 118 ALA HB1 H 1 2.18 0.02 . 1 . . . . . 118 ALA HB . 53002 1 377 . 1 . 1 118 118 ALA HB2 H 1 2.18 0.02 . 1 . . . . . 118 ALA HB . 53002 1 378 . 1 . 1 118 118 ALA HB3 H 1 2.18 0.02 . 1 . . . . . 118 ALA HB . 53002 1 379 . 1 . 1 118 118 ALA CA C 13 55.0 0.3 . 1 . . . . . 118 ALA CA . 53002 1 380 . 1 . 1 118 118 ALA CB C 13 17.7 0.3 . 1 . . . . . 118 ALA CB . 53002 1 381 . 1 . 1 118 118 ALA N N 15 123.4 0.3 . 1 . . . . . 118 ALA N . 53002 1 382 . 1 . 1 119 119 LYS H H 1 8.50 0.02 . 1 . . . . . 119 LYS H . 53002 1 383 . 1 . 1 119 119 LYS HA H 1 3.47 0.02 . 1 . . . . . 119 LYS HA . 53002 1 384 . 1 . 1 119 119 LYS CA C 13 60.1 0.3 . 1 . . . . . 119 LYS CA . 53002 1 385 . 1 . 1 119 119 LYS CB C 13 32.0 0.3 . 1 . . . . . 119 LYS CB . 53002 1 386 . 1 . 1 119 119 LYS N N 15 117.9 0.3 . 1 . . . . . 119 LYS N . 53002 1 387 . 1 . 1 120 120 LYS H H 1 7.76 0.02 . 1 . . . . . 120 LYS H . 53002 1 388 . 1 . 1 120 120 LYS HA H 1 3.77 0.02 . 1 . . . . . 120 LYS HA . 53002 1 389 . 1 . 1 120 120 LYS HB2 H 1 1.77 0.02 . 1 . . . . . 120 LYS HB2 . 53002 1 390 . 1 . 1 120 120 LYS CA C 13 59.6 0.3 . 1 . . . . . 120 LYS CA . 53002 1 391 . 1 . 1 120 120 LYS CB C 13 32.3 0.3 . 1 . . . . . 120 LYS CB . 53002 1 392 . 1 . 1 120 120 LYS N N 15 120.3 0.3 . 1 . . . . . 120 LYS N . 53002 1 393 . 1 . 1 121 121 LEU H H 1 8.03 0.02 . 1 . . . . . 121 LEU H . 53002 1 394 . 1 . 1 121 121 LEU HA H 1 4.11 0.02 . 1 . . . . . 121 LEU HA . 53002 1 395 . 1 . 1 121 121 LEU CA C 13 57.5 0.3 . 1 . . . . . 121 LEU CA . 53002 1 396 . 1 . 1 121 121 LEU CB C 13 41.8 0.3 . 1 . . . . . 121 LEU CB . 53002 1 397 . 1 . 1 121 121 LEU N N 15 122.2 0.3 . 1 . . . . . 121 LEU N . 53002 1 398 . 1 . 1 122 122 ASN H H 1 8.56 0.02 . 1 . . . . . 122 ASN H . 53002 1 399 . 1 . 1 122 122 ASN HA H 1 4.21 0.02 . 1 . . . . . 122 ASN HA . 53002 1 400 . 1 . 1 122 122 ASN CA C 13 57.9 0.3 . 1 . . . . . 122 ASN CA . 53002 1 401 . 1 . 1 122 122 ASN N N 15 117.0 0.3 . 1 . . . . . 122 ASN N . 53002 1 402 . 1 . 1 123 123 ASP H H 1 8.27 0.02 . 1 . . . . . 123 ASP H . 53002 1 403 . 1 . 1 123 123 ASP HA H 1 4.01 0.02 . 1 . . . . . 123 ASP HA . 53002 1 404 . 1 . 1 123 123 ASP HB2 H 1 2.41 0.02 . 1 . . . . . 123 ASP HB2 . 53002 1 405 . 1 . 1 123 123 ASP CA C 13 56.9 0.3 . 1 . . . . . 123 ASP CA . 53002 1 406 . 1 . 1 123 123 ASP CB C 13 39.9 0.3 . 1 . . . . . 123 ASP CB . 53002 1 407 . 1 . 1 123 123 ASP N N 15 118.8 0.3 . 1 . . . . . 123 ASP N . 53002 1 408 . 1 . 1 124 124 ALA H H 1 8.07 0.02 . 1 . . . . . 124 ALA H . 53002 1 409 . 1 . 1 124 124 ALA HA H 1 4.46 0.02 . 1 . . . . . 124 ALA HA . 53002 1 410 . 1 . 1 124 124 ALA CA C 13 54.3 0.3 . 1 . . . . . 124 ALA CA . 53002 1 411 . 1 . 1 124 124 ALA CB C 13 18.5 0.3 . 1 . . . . . 124 ALA CB . 53002 1 412 . 1 . 1 124 124 ALA N N 15 123.1 0.3 . 1 . . . . . 124 ALA N . 53002 1 413 . 1 . 1 125 125 GLN H H 1 7.57 0.02 . 1 . . . . . 125 GLN H . 53002 1 414 . 1 . 1 125 125 GLN HA H 1 4.25 0.02 . 1 . . . . . 125 GLN HA . 53002 1 415 . 1 . 1 125 125 GLN CA C 13 54.9 0.3 . 1 . . . . . 125 GLN CA . 53002 1 416 . 1 . 1 125 125 GLN CB C 13 28.2 0.3 . 1 . . . . . 125 GLN CB . 53002 1 417 . 1 . 1 125 125 GLN N N 15 115.1 0.3 . 1 . . . . . 125 GLN N . 53002 1 418 . 1 . 1 126 126 ALA H H 1 7.13 0.02 . 1 . . . . . 126 ALA H . 53002 1 419 . 1 . 1 126 126 ALA HA H 1 4.39 0.02 . 1 . . . . . 126 ALA HA . 53002 1 420 . 1 . 1 126 126 ALA CA C 13 51.0 0.3 . 1 . . . . . 126 ALA CA . 53002 1 421 . 1 . 1 126 126 ALA CB C 13 17.9 0.3 . 1 . . . . . 126 ALA CB . 53002 1 422 . 1 . 1 126 126 ALA N N 15 124.6 0.3 . 1 . . . . . 126 ALA N . 53002 1 423 . 1 . 1 128 128 LYS H H 1 8.09 0.02 . 1 . . . . . 128 LYS H . 53002 1 424 . 1 . 1 128 128 LYS HA H 1 4.42 0.02 . 1 . . . . . 128 LYS HA . 53002 1 425 . 1 . 1 128 128 LYS HB2 H 1 1.97 0.02 . 1 . . . . . 128 LYS HB2 . 53002 1 426 . 1 . 1 128 128 LYS CA C 13 57.4 0.3 . 1 . . . . . 128 LYS CA . 53002 1 427 . 1 . 1 128 128 LYS CB C 13 33.7 0.3 . 1 . . . . . 128 LYS CB . 53002 1 428 . 1 . 1 128 128 LYS N N 15 127.5 0.3 . 1 . . . . . 128 LYS N . 53002 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 53002 _RDC_list.ID 1 _RDC_list.Name 'ZLBT-C:Tb (Terbium) RDCs' _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 799.910 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Sample contains 1:1.1 ratio of protein to TbCl3' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 6 '15N HSQC IPAP' . . . 53002 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $software_1 . . 53002 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . -3.8494 . . 0.05918 . . . . . . . . . . . 53002 1 2 DHN . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN N N 15 . 15.7635 . . 0.10326 . . . . . . . . . . . 53002 1 3 DHN . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU N N 15 . -8.1829 . . 0.09199 . . . . . . . . . . . 53002 1 4 DHN . 1 1 64 64 ASN H H 1 . . 1 1 64 64 ASN N N 15 . 11.6468 . . 0.04629 . . . . . . . . . . . 53002 1 5 DHN . 1 1 66 66 ALA H H 1 . . 1 1 66 66 ALA N N 15 . 7.8901 . . 0.07212 . . . . . . . . . . . 53002 1 6 DHN . 1 1 67 67 GLN H H 1 . . 1 1 67 67 GLN N N 15 . 3.6104 . . 0.08721 . . . . . . . . . . . 53002 1 7 DHN . 1 1 68 68 ALA H H 1 . . 1 1 68 68 ALA N N 15 . 12.4897 . . 0.08356 . . . . . . . . . . . 53002 1 8 DHN . 1 1 70 70 LYS H H 1 . . 1 1 70 70 LYS N N 15 . 1.6852 . . 0.04472 . . . . . . . . . . . 53002 1 9 DHN . 1 1 71 71 ALA H H 1 . . 1 1 71 71 ALA N N 15 . 3.5956 . . 0.03064 . . . . . . . . . . . 53002 1 10 DHN . 1 1 72 72 ASP H H 1 . . 1 1 72 72 ASP N N 15 . -0.4318 . . 0.05042 . . . . . . . . . . . 53002 1 11 DHN . 1 1 75 75 PHE H H 1 . . 1 1 75 75 PHE N N 15 . -0.0047 . . 0.04145 . . . . . . . . . . . 53002 1 12 DHN . 1 1 76 76 ASN H H 1 . . 1 1 76 76 ASN N N 15 . -0.0289 . . 0.07932 . . . . . . . . . . . 53002 1 13 DHN . 1 1 79 79 GLN H H 1 . . 1 1 79 79 GLN N N 15 . -0.7805 . . 0.07177 . . . . . . . . . . . 53002 1 14 DHN . 1 1 80 80 GLN H H 1 . . 1 1 80 80 GLN N N 15 . -0.3474 . . 0.11979 . . . . . . . . . . . 53002 1 15 DHN . 1 1 81 81 ASN H H 1 . . 1 1 81 81 ASN N N 15 . 0.1908 . . 0.05263 . . . . . . . . . . . 53002 1 16 DHN . 1 1 83 83 PHE H H 1 . . 1 1 83 83 PHE N N 15 . -0.4265 . . 0.03732 . . . . . . . . . . . 53002 1 17 DHN . 1 1 84 84 TYR H H 1 . . 1 1 84 84 TYR N N 15 . -0.4936 . . 0.2391 . . . . . . . . . . . 53002 1 18 DHN . 1 1 88 88 HIS H H 1 . . 1 1 88 88 HIS N N 15 . 0.3451 . . 0.10570 . . . . . . . . . . . 53002 1 19 DHN . 1 1 89 89 LEU H H 1 . . 1 1 89 89 LEU N N 15 . 0.6706 . . 0.06276 . . . . . . . . . . . 53002 1 20 DHN . 1 1 91 91 ASN H H 1 . . 1 1 91 91 ASN N N 15 . -0.3573 . . 0.06885 . . . . . . . . . . . 53002 1 21 DHN . 1 1 92 92 LEU H H 1 . . 1 1 92 92 LEU N N 15 . -0.0858 . . 0.03308 . . . . . . . . . . . 53002 1 22 DHN . 1 1 93 93 THR H H 1 . . 1 1 93 93 THR N N 15 . 0.271 . . 0.0414 . . . . . . . . . . . 53002 1 23 DHN . 1 1 97 97 ARG H H 1 . . 1 1 97 97 ARG N N 15 . 0.0403 . . 0.07297 . . . . . . . . . . . 53002 1 24 DHN . 1 1 98 98 ASN H H 1 . . 1 1 98 98 ASN N N 15 . -0.2663 . . 0.1043 . . . . . . . . . . . 53002 1 25 DHN . 1 1 99 99 GLY H H 1 . . 1 1 99 99 GLY N N 15 . -0.2895 . . 0.02997 . . . . . . . . . . . 53002 1 26 DHN . 1 1 100 100 PHE H H 1 . . 1 1 100 100 PHE N N 15 . 0.2872 . . 0.03554 . . . . . . . . . . . 53002 1 27 DHN . 1 1 103 103 SER H H 1 . . 1 1 103 103 SER N N 15 . -0.096 . . 0.05138 . . . . . . . . . . . 53002 1 28 DHN . 1 1 104 104 LEU H H 1 . . 1 1 104 104 LEU N N 15 . 0.1134 . . 0.1005 . . . . . . . . . . . 53002 1 29 DHN . 1 1 105 105 LYS H H 1 . . 1 1 105 105 LYS N N 15 . -0.006 . . 0.04447 . . . . . . . . . . . 53002 1 30 DHN . 1 1 106 106 ASP H H 1 . . 1 1 106 106 ASP N N 15 . -0.5145 . . 0.04446 . . . . . . . . . . . 53002 1 31 DHN . 1 1 107 107 ASP H H 1 . . 1 1 107 107 ASP N N 15 . 0.1943 . . 0.04117 . . . . . . . . . . . 53002 1 32 DHN . 1 1 109 109 SER H H 1 . . 1 1 109 109 SER N N 15 . 0.2429 . . 0.04752 . . . . . . . . . . . 53002 1 33 DHN . 1 1 110 110 VAL H H 1 . . 1 1 110 110 VAL N N 15 . -0.5221 . . 0.04612 . . . . . . . . . . . 53002 1 34 DHN . 1 1 111 111 SER H H 1 . . 1 1 111 111 SER N N 15 . -0.5723 . . 0.05096 . . . . . . . . . . . 53002 1 35 DHN . 1 1 112 112 LYS H H 1 . . 1 1 112 112 LYS N N 15 . -0.1676 . . 0.08872 . . . . . . . . . . . 53002 1 36 DHN . 1 1 114 114 ILE H H 1 . . 1 1 114 114 ILE N N 15 . -0.4916 . . 0.04746 . . . . . . . . . . . 53002 1 37 DHN . 1 1 116 116 ALA H H 1 . . 1 1 116 116 ALA N N 15 . 0.4674 . . 0.03754 . . . . . . . . . . . 53002 1 38 DHN . 1 1 118 118 ALA H H 1 . . 1 1 118 118 ALA N N 15 . -0.3683 . . 0.04281 . . . . . . . . . . . 53002 1 39 DHN . 1 1 119 119 LYS H H 1 . . 1 1 119 119 LYS N N 15 . 0.2031 . . 0.05994 . . . . . . . . . . . 53002 1 40 DHN . 1 1 120 120 LYS H H 1 . . 1 1 120 120 LYS N N 15 . 0.5552 . . 0.05381 . . . . . . . . . . . 53002 1 41 DHN . 1 1 121 121 LEU H H 1 . . 1 1 121 121 LEU N N 15 . -0.7762 . . 0.04582 . . . . . . . . . . . 53002 1 42 DHN . 1 1 122 122 ASN H H 1 . . 1 1 122 122 ASN N N 15 . -0.3677 . . 0.07553 . . . . . . . . . . . 53002 1 43 DHN . 1 1 124 124 ALA H H 1 . . 1 1 124 124 ALA N N 15 . 0.2508 . . 0.04417 . . . . . . . . . . . 53002 1 44 DHN . 1 1 125 125 GLN H H 1 . . 1 1 125 125 GLN N N 15 . -0.4516 . . 0.08265 . . . . . . . . . . . 53002 1 45 DHN . 1 1 126 126 ALA H H 1 . . 1 1 126 126 ALA N N 15 . -0.0515 . . 0.03824 . . . . . . . . . . . 53002 1 46 DHN . 1 1 128 128 LYS H H 1 . . 1 1 128 128 LYS N N 15 . -0.0546 . . 0.05731 . . . . . . . . . . . 53002 1 47 DHC . 1 1 84 84 TYR H H 1 . . 1 1 84 84 TYR C C 13 . -0.9999 . . 0.21777 . . . . . . . . . . . 53002 1 48 DHC . 1 1 86 86 ILE H H 1 . . 1 1 86 86 ILE C C 13 . -1.7598 . . 0.20718 . . . . . . . . . . . 53002 1 49 DHC . 1 1 90 90 PRO H H 1 . . 1 1 90 90 PRO C C 13 . -0.6159 . . 0.13822 . . . . . . . . . . . 53002 1 50 DHC . 1 1 91 91 ASN H H 1 . . 1 1 91 91 ASN C C 13 . 0.5999 . . 0.14 . . . . . . . . . . . 53002 1 51 DHC . 1 1 93 93 THR H H 1 . . 1 1 93 93 THR C C 13 . 1.9838 . . 0.21777 . . . . . . . . . . . 53002 1 52 DHC . 1 1 101 101 ILE H H 1 . . 1 1 101 101 ILE C C 13 . -0.3760 . . 0.15790 . . . . . . . . . . . 53002 1 53 DHC . 1 1 108 108 PRO H H 1 . . 1 1 108 108 PRO C C 13 . 0.3920 . . 0.11471 . . . . . . . . . . . 53002 1 54 DHC . 1 1 109 109 SER H H 1 . . 1 1 109 109 SER C C 13 . 0.8639 . . 0.98879 . . . . . . . . . . . 53002 1 55 DHC . 1 1 114 114 ILE H H 1 . . 1 1 114 114 ILE C C 13 . -0.2080 . . 0.13967 . . . . . . . . . . . 53002 1 56 DHC . 1 1 118 118 ALA H H 1 . . 1 1 118 118 ALA C C 13 . -0.6559 . . 0.14065 . . . . . . . . . . . 53002 1 57 DHC . 1 1 127 127 PRO H H 1 . . 1 1 127 127 PRO C C 13 . 0.2960 . . 0.22072 . . . . . . . . . . . 53002 1 stop_ save_ save_RDCs_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_2 _RDC_list.Entry_ID 53002 _RDC_list.ID 2 _RDC_list.Name 'ZLBT-C:Dy (Dysprosium) RDCs' _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 799.910 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Sample contains 1:1.1 ratio of protein to DyCl3' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 6 '15N HSQC IPAP' . . . 53002 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $software_1 . . 53002 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU N N 15 . 0.8441 . . 0.05918 . . . . . . . . . . . 53002 2 2 DHN . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN N N 15 . 6.7231 . . 0.10326 . . . . . . . . . . . 53002 2 3 DHN . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU N N 15 . -6.5455 . . 0.09199 . . . . . . . . . . . 53002 2 4 DHN . 1 1 64 64 ASN H H 1 . . 1 1 64 64 ASN N N 15 . 7.1962 . . 0.04629 . . . . . . . . . . . 53002 2 5 DHN . 1 1 66 66 ALA H H 1 . . 1 1 66 66 ALA N N 15 . 5.9593 . . 0.07212 . . . . . . . . . . . 53002 2 6 DHN . 1 1 67 67 GLN H H 1 . . 1 1 67 67 GLN N N 15 . -0.0028 . . 0.08721 . . . . . . . . . . . 53002 2 7 DHN . 1 1 68 68 ALA H H 1 . . 1 1 68 68 ALA N N 15 . 6.4673 . . 0.08356 . . . . . . . . . . . 53002 2 8 DHN . 1 1 70 70 LYS H H 1 . . 1 1 70 70 LYS N N 15 . -2.9005 . . 0.04472 . . . . . . . . . . . 53002 2 9 DHN . 1 1 71 71 ALA H H 1 . . 1 1 71 71 ALA N N 15 . 1.1789 . . 0.03064 . . . . . . . . . . . 53002 2 10 DHN . 1 1 72 72 ASP H H 1 . . 1 1 72 72 ASP N N 15 . -0.3495 . . 0.05042 . . . . . . . . . . . 53002 2 11 DHN . 1 1 75 75 PHE H H 1 . . 1 1 75 75 PHE N N 15 . 0.276 . . 0.04145 . . . . . . . . . . . 53002 2 12 DHN . 1 1 76 76 ASN H H 1 . . 1 1 76 76 ASN N N 15 . -0.3814 . . 0.07932 . . . . . . . . . . . 53002 2 13 DHN . 1 1 79 79 GLN H H 1 . . 1 1 79 79 GLN N N 15 . -0.3866 . . 0.07177 . . . . . . . . . . . 53002 2 14 DHN . 1 1 80 80 GLN H H 1 . . 1 1 80 80 GLN N N 15 . -0.0624 . . 0.11979 . . . . . . . . . . . 53002 2 15 DHN . 1 1 81 81 ASN H H 1 . . 1 1 81 81 ASN N N 15 . 0.6801 . . 0.05263 . . . . . . . . . . . 53002 2 16 DHN . 1 1 83 83 PHE H H 1 . . 1 1 83 83 PHE N N 15 . -0.2527 . . 0.03732 . . . . . . . . . . . 53002 2 17 DHN . 1 1 84 84 TYR H H 1 . . 1 1 84 84 TYR N N 15 . -0.3737 . . 0.2391 . . . . . . . . . . . 53002 2 18 DHN . 1 1 88 88 HIS H H 1 . . 1 1 88 88 HIS N N 15 . 0.5844 . . 0.10570 . . . . . . . . . . . 53002 2 19 DHN . 1 1 89 89 LEU H H 1 . . 1 1 89 89 LEU N N 15 . 0.7404 . . 0.06276 . . . . . . . . . . . 53002 2 20 DHN . 1 1 91 91 ASN H H 1 . . 1 1 91 91 ASN N N 15 . 0.15 . . 0.06885 . . . . . . . . . . . 53002 2 21 DHN . 1 1 92 92 LEU H H 1 . . 1 1 92 92 LEU N N 15 . 0.1671 . . 0.03308 . . . . . . . . . . . 53002 2 22 DHN . 1 1 93 93 THR H H 1 . . 1 1 93 93 THR N N 15 . 1.0032 . . 0.0414 . . . . . . . . . . . 53002 2 23 DHN . 1 1 94 94 GLU H H 1 . . 1 1 94 94 GLU N N 15 . -0.4393 . . 0.0697 . . . . . . . . . . . 53002 2 24 DHN . 1 1 95 95 GLU H H 1 . . 1 1 95 95 GLU N N 15 . -0.2525 . . 0.23718 . . . . . . . . . . . 53002 2 25 DHN . 1 1 97 97 ARG H H 1 . . 1 1 97 97 ARG N N 15 . 0.1525 . . 0.07297 . . . . . . . . . . . 53002 2 26 DHN . 1 1 98 98 ASN H H 1 . . 1 1 98 98 ASN N N 15 . -0.0453 . . 0.1043 . . . . . . . . . . . 53002 2 27 DHN . 1 1 99 99 GLY H H 1 . . 1 1 99 99 GLY N N 15 . -0.1374 . . 0.02997 . . . . . . . . . . . 53002 2 28 DHN . 1 1 100 100 PHE H H 1 . . 1 1 100 100 PHE N N 15 . 0.3577 . . 0.03554 . . . . . . . . . . . 53002 2 29 DHN . 1 1 103 103 SER H H 1 . . 1 1 103 103 SER N N 15 . -0.2423 . . 0.05138 . . . . . . . . . . . 53002 2 30 DHN . 1 1 104 104 LEU H H 1 . . 1 1 104 104 LEU N N 15 . 0.2746 . . 0.1005 . . . . . . . . . . . 53002 2 31 DHN . 1 1 105 105 LYS H H 1 . . 1 1 105 105 LYS N N 15 . -0.3379 . . 0.04447 . . . . . . . . . . . 53002 2 32 DHN . 1 1 106 106 ASP H H 1 . . 1 1 106 106 ASP N N 15 . -0.1411 . . 0.04446 . . . . . . . . . . . 53002 2 33 DHN . 1 1 107 107 ASP H H 1 . . 1 1 107 107 ASP N N 15 . 0.0046 . . 0.04117 . . . . . . . . . . . 53002 2 34 DHN . 1 1 109 109 SER H H 1 . . 1 1 109 109 SER N N 15 . -0.2597 . . 0.04752 . . . . . . . . . . . 53002 2 35 DHN . 1 1 110 110 VAL H H 1 . . 1 1 110 110 VAL N N 15 . -0.5433 . . 0.04612 . . . . . . . . . . . 53002 2 36 DHN . 1 1 111 111 SER H H 1 . . 1 1 111 111 SER N N 15 . -0.7837 . . 0.05096 . . . . . . . . . . . 53002 2 37 DHN . 1 1 112 112 LYS H H 1 . . 1 1 112 112 LYS N N 15 . -0.1753 . . 0.08872 . . . . . . . . . . . 53002 2 38 DHN . 1 1 114 114 ILE H H 1 . . 1 1 114 114 ILE N N 15 . -0.222 . . 0.04746 . . . . . . . . . . . 53002 2 39 DHN . 1 1 116 116 ALA H H 1 . . 1 1 116 116 ALA N N 15 . 0.5046 . . 0.03754 . . . . . . . . . . . 53002 2 40 DHN . 1 1 118 118 ALA H H 1 . . 1 1 118 118 ALA N N 15 . -0.4182 . . 0.04281 . . . . . . . . . . . 53002 2 41 DHN . 1 1 119 119 LYS H H 1 . . 1 1 119 119 LYS N N 15 . 0.284 . . 0.05994 . . . . . . . . . . . 53002 2 42 DHN . 1 1 120 120 LYS H H 1 . . 1 1 120 120 LYS N N 15 . 0.6711 . . 0.05381 . . . . . . . . . . . 53002 2 43 DHN . 1 1 121 121 LEU H H 1 . . 1 1 121 121 LEU N N 15 . -0.6838 . . 0.04582 . . . . . . . . . . . 53002 2 44 DHN . 1 1 122 122 ASN H H 1 . . 1 1 122 122 ASN N N 15 . -0.4073 . . 0.07553 . . . . . . . . . . . 53002 2 45 DHN . 1 1 124 124 ALA H H 1 . . 1 1 124 124 ALA N N 15 . -0.0167 . . 0.04417 . . . . . . . . . . . 53002 2 46 DHN . 1 1 125 125 GLN H H 1 . . 1 1 125 125 GLN N N 15 . -0.2001 . . 0.08265 . . . . . . . . . . . 53002 2 47 DHN . 1 1 126 126 ALA H H 1 . . 1 1 126 126 ALA N N 15 . 0.4959 . . 0.03824 . . . . . . . . . . . 53002 2 48 DHN . 1 1 128 128 LYS H H 1 . . 1 1 128 128 LYS N N 15 . -0.2212 . . 0.05731 . . . . . . . . . . . 53002 2 49 DHC . 1 1 84 84 TYR H H 1 . . 1 1 84 84 TYR C C 13 . -0.7919 . . 0.27300 . . . . . . . . . . . 53002 2 50 DHC . 1 1 86 86 ILE H H 1 . . 1 1 86 86 ILE C C 13 . -1.2879 . . 0.14622 . . . . . . . . . . . 53002 2 51 DHC . 1 1 90 90 PRO H H 1 . . 1 1 90 90 PRO C C 13 . -0.2640 . . 0.64686 . . . . . . . . . . . 53002 2 52 DHC . 1 1 91 91 ASN H H 1 . . 1 1 91 91 ASN C C 13 . 0.8159 . . 0.43956 . . . . . . . . . . . 53002 2 53 DHC . 1 1 93 93 THR H H 1 . . 1 1 93 93 THR C C 13 . 1.9358 . . 0.17147 . . . . . . . . . . . 53002 2 54 DHC . 1 1 101 101 ILE H H 1 . . 1 1 101 101 ILE C C 13 . -1.2399 . . 0.19438 . . . . . . . . . . . 53002 2 55 DHC . 1 1 102 102 GLN H H 1 . . 1 1 102 102 GLN C C 13 . -0.5199 . . 0.66399 . . . . . . . . . . . 53002 2 56 DHC . 1 1 108 108 PRO H H 1 . . 1 1 108 108 PRO C C 13 . -0.1920 . . 0.16209 . . . . . . . . . . . 53002 2 57 DHC . 1 1 109 109 SER H H 1 . . 1 1 109 109 SER C C 13 . 0.3120 . . 0.19588 . . . . . . . . . . . 53002 2 58 DHC . 1 1 114 114 ILE H H 1 . . 1 1 114 114 ILE C C 13 . -0.5199 . . 0.10824 . . . . . . . . . . . 53002 2 59 DHC . 1 1 118 118 ALA H H 1 . . 1 1 118 118 ALA C C 13 . -0.7359 . . 0.18805 . . . . . . . . . . . 53002 2 60 DHC . 1 1 120 120 LYS H H 1 . . 1 1 120 120 LYS C C 13 . -1.5038 . . 0.13768 . . . . . . . . . . . 53002 2 61 DHC . 1 1 121 121 LEU H H 1 . . 1 1 121 121 LEU C C 13 . -0.3920 . . 0.18503 . . . . . . . . . . . 53002 2 62 DHC . 1 1 127 127 PRO H H 1 . . 1 1 127 127 PRO C C 13 . -0.6559 . . 0.13304 . . . . . . . . . . . 53002 2 stop_ save_ ######################### # Other kinds of data # ######################### save_other_data_types_1 _Other_data_type_list.Sf_category other_data_types _Other_data_type_list.Sf_framecode other_data_types_1 _Other_data_type_list.Entry_ID 53002 _Other_data_type_list.ID 1 _Other_data_type_list.Name 'Amino Acid Sequence of ZLBT-C protein' _Other_data_type_list.Definition 'Amino Acid Sequence' _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $sample_conditions_1 _Other_data_type_list.Chem_shift_reference_ID . _Other_data_type_list.Chem_shift_reference_label . _Other_data_type_list.Details 'Protein sequence: 3-Letter code' _Other_data_type_list.Text_data_format text _Other_data_type_list.Text_data ; VAL ASP ASN LYS PHE ASN LYS GLU GLN GLN ASN ALA PHE TYR GLU ILE LEU HIS LEU PRO ASN LEU ASN GLU GLU GLN ARG ASN ALA PHE ILE GLN SER LEU LYS ASP TYR ILE ASP THR ASN ASN ASP GLY ALA TYR GLU GLY ASP GLU LEU GLN SER ALA ASN LEU LEU ALA GLU ALA LYS LYS LEU ASN ASP ALA GLN ALA PRO LYS ALA ASP ASN LYS PHE ASN LYS GLU GLN GLN ASN ALA PHE TYR GLU ILE LEU HIS LEU PRO ASN LEU THR GLU GLU GLN ARG ASN GLY PHE ILE GLN SER LEU LYS ASP ASP PRO SER VAL SER LYS GLU ILE LEU ALA GLU ALA LYS LYS LEU ASN ASP ALA GLN ALA PRO LYS ; loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 3 '2D 1H-15N HSQC' . . . 53002 1 stop_ loop_ _Other_data_software.Software_ID _Other_data_software.Software_label _Other_data_software.Method_ID _Other_data_software.Method_label _Other_data_software.Entry_ID _Other_data_software.Other_data_type_list_ID 1 $software_1 . . 53002 1 stop_ save_