data_26058 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26058 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for a 58 truncated variant of the CI repressor from the temperated bacteriophage Tp901-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-18 _Entry.Accession_date 2016-05-18 _Entry.Last_release_date 2016-06-21 _Entry.Original_release_date 2016-06-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kim 'Krighaar Rasmussen' . KKR . . 26058 2 Malene Ringkjobing-Jensen . . . . 26058 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry, University of Copenhagen' . 26058 2 . 'Institut de Biologie Structurale, Grenoble' . 26058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 26058 '15N chemical shifts' 117 26058 '1H chemical shifts' 117 26058 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-12 2016-05-18 update BMRB 'update entry citation' 26058 1 . . 2016-06-21 2016-05-18 original author 'original release' 26058 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26058 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27403839 _Citation.Full_citation . _Citation.Title ; Structural and dynamics studies of a truncated variant of CI repressor from bacteriophage TP901-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 29574 _Citation.Page_last 29574 _Citation.Year 2016 _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 Kim Rasmussen . K. . . 26058 1 2 Kristian Frandsen . E.H. . . 26058 1 3 Elisabetta Erba . B. . . 26058 1 4 Margit Pedersen . . . . 26058 1 5 Anders Varming . K. . . 26058 1 6 Karin Hammer . . . . 26058 1 7 Mogens Kilstrup . . . . 26058 1 8 Peter Thulstrup . W. . . 26058 1 9 Martin Blackledge . . . . 26058 1 10 Malene Jensen . R. . . 26058 1 11 Leila Leggio . L. . . 26058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26058 _Assembly.ID 1 _Assembly.Name 'd58CI dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 30.088 _Assembly.Enzyme_commission_number . _Assembly.Details 'Symmetric dimer' _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 'dimer d58CI, chain 1' 1 $d58CI A . yes native no no . . . 26058 1 2 'dimer d58CI, chain 2' 1 $d58CI B . yes native no no . . . 26058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_d58CI _Entity.Sf_category entity _Entity.Sf_framecode d58CI _Entity.Entry_ID 26058 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name d58CI _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 ; MQTDTSNRLKQIMAERNLKQ VDILNLSIPFQKKFGIKLSK STLSQYVNSVQSPDQNRIYL LAKTLGVSEAWLMGFDVPMV ESSKIENDSENIEETITVMK KLEEPRQKVVLDTAKIQLKE QDRSHHHHHH ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription repressor of the genetic switch from temperated TP901-1 bacteriophage' 26058 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 . MET . 26058 1 2 . GLN . 26058 1 3 . THR . 26058 1 4 . ASP . 26058 1 5 . THR . 26058 1 6 . SER . 26058 1 7 . ASN . 26058 1 8 . ARG . 26058 1 9 . LEU . 26058 1 10 . LYS . 26058 1 11 . GLN . 26058 1 12 . ILE . 26058 1 13 . MET . 26058 1 14 . ALA . 26058 1 15 . GLU . 26058 1 16 . ARG . 26058 1 17 . ASN . 26058 1 18 . LEU . 26058 1 19 . LYS . 26058 1 20 . GLN . 26058 1 21 . VAL . 26058 1 22 . ASP . 26058 1 23 . ILE . 26058 1 24 . LEU . 26058 1 25 . ASN . 26058 1 26 . LEU . 26058 1 27 . SER . 26058 1 28 . ILE . 26058 1 29 . PRO . 26058 1 30 . PHE . 26058 1 31 . GLN . 26058 1 32 . LYS . 26058 1 33 . LYS . 26058 1 34 . PHE . 26058 1 35 . GLY . 26058 1 36 . ILE . 26058 1 37 . LYS . 26058 1 38 . LEU . 26058 1 39 . SER . 26058 1 40 . LYS . 26058 1 41 . SER . 26058 1 42 . THR . 26058 1 43 . LEU . 26058 1 44 . SER . 26058 1 45 . GLN . 26058 1 46 . TYR . 26058 1 47 . VAL . 26058 1 48 . ASN . 26058 1 49 . SER . 26058 1 50 . VAL . 26058 1 51 . GLN . 26058 1 52 . SER . 26058 1 53 . PRO . 26058 1 54 . ASP . 26058 1 55 . GLN . 26058 1 56 . ASN . 26058 1 57 . ARG . 26058 1 58 . ILE . 26058 1 59 . TYR . 26058 1 60 . LEU . 26058 1 61 . LEU . 26058 1 62 . ALA . 26058 1 63 . LYS . 26058 1 64 . THR . 26058 1 65 . LEU . 26058 1 66 . GLY . 26058 1 67 . VAL . 26058 1 68 . SER . 26058 1 69 . GLU . 26058 1 70 . ALA . 26058 1 71 . TRP . 26058 1 72 . LEU . 26058 1 73 . MET . 26058 1 74 . GLY . 26058 1 75 . PHE . 26058 1 76 . ASP . 26058 1 77 . VAL . 26058 1 78 . PRO . 26058 1 79 . MET . 26058 1 80 . VAL . 26058 1 81 . GLU . 26058 1 82 . SER . 26058 1 83 . SER . 26058 1 84 . LYS . 26058 1 85 . ILE . 26058 1 86 . GLU . 26058 1 87 . ASN . 26058 1 88 . ASP . 26058 1 89 . SER . 26058 1 90 . GLU . 26058 1 91 . ASN . 26058 1 92 . ILE . 26058 1 93 . GLU . 26058 1 94 . GLU . 26058 1 95 . THR . 26058 1 96 . ILE . 26058 1 97 . THR . 26058 1 98 . VAL . 26058 1 99 . MET . 26058 1 100 . LYS . 26058 1 101 . LYS . 26058 1 102 . LEU . 26058 1 103 . GLU . 26058 1 104 . GLU . 26058 1 105 . PRO . 26058 1 106 . ARG . 26058 1 107 . GLN . 26058 1 108 . LYS . 26058 1 109 . VAL . 26058 1 110 . VAL . 26058 1 111 . LEU . 26058 1 112 . ASP . 26058 1 113 . THR . 26058 1 114 . ALA . 26058 1 115 . LYS . 26058 1 116 . ILE . 26058 1 117 . GLN . 26058 1 118 . LEU . 26058 1 119 . LYS . 26058 1 120 . GLU . 26058 1 121 . GLN . 26058 1 122 . ASP . 26058 1 123 . ARG . 26058 1 124 . SER . 26058 1 125 . HIS . 26058 1 126 . HIS . 26058 1 127 . HIS . 26058 1 128 . HIS . 26058 1 129 . HIS . 26058 1 130 . HIS . 26058 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 . MET 1 1 26058 1 . GLN 2 2 26058 1 . THR 3 3 26058 1 . ASP 4 4 26058 1 . THR 5 5 26058 1 . SER 6 6 26058 1 . ASN 7 7 26058 1 . ARG 8 8 26058 1 . LEU 9 9 26058 1 . LYS 10 10 26058 1 . GLN 11 11 26058 1 . ILE 12 12 26058 1 . MET 13 13 26058 1 . ALA 14 14 26058 1 . GLU 15 15 26058 1 . ARG 16 16 26058 1 . ASN 17 17 26058 1 . LEU 18 18 26058 1 . LYS 19 19 26058 1 . GLN 20 20 26058 1 . VAL 21 21 26058 1 . ASP 22 22 26058 1 . ILE 23 23 26058 1 . LEU 24 24 26058 1 . ASN 25 25 26058 1 . LEU 26 26 26058 1 . SER 27 27 26058 1 . ILE 28 28 26058 1 . PRO 29 29 26058 1 . PHE 30 30 26058 1 . GLN 31 31 26058 1 . LYS 32 32 26058 1 . LYS 33 33 26058 1 . PHE 34 34 26058 1 . GLY 35 35 26058 1 . ILE 36 36 26058 1 . LYS 37 37 26058 1 . LEU 38 38 26058 1 . SER 39 39 26058 1 . LYS 40 40 26058 1 . SER 41 41 26058 1 . THR 42 42 26058 1 . LEU 43 43 26058 1 . SER 44 44 26058 1 . GLN 45 45 26058 1 . TYR 46 46 26058 1 . VAL 47 47 26058 1 . ASN 48 48 26058 1 . SER 49 49 26058 1 . VAL 50 50 26058 1 . GLN 51 51 26058 1 . SER 52 52 26058 1 . PRO 53 53 26058 1 . ASP 54 54 26058 1 . GLN 55 55 26058 1 . ASN 56 56 26058 1 . ARG 57 57 26058 1 . ILE 58 58 26058 1 . TYR 59 59 26058 1 . LEU 60 60 26058 1 . LEU 61 61 26058 1 . ALA 62 62 26058 1 . LYS 63 63 26058 1 . THR 64 64 26058 1 . LEU 65 65 26058 1 . GLY 66 66 26058 1 . VAL 67 67 26058 1 . SER 68 68 26058 1 . GLU 69 69 26058 1 . ALA 70 70 26058 1 . TRP 71 71 26058 1 . LEU 72 72 26058 1 . MET 73 73 26058 1 . GLY 74 74 26058 1 . PHE 75 75 26058 1 . ASP 76 76 26058 1 . VAL 77 77 26058 1 . PRO 78 78 26058 1 . MET 79 79 26058 1 . VAL 80 80 26058 1 . GLU 81 81 26058 1 . SER 82 82 26058 1 . SER 83 83 26058 1 . LYS 84 84 26058 1 . ILE 85 85 26058 1 . GLU 86 86 26058 1 . ASN 87 87 26058 1 . ASP 88 88 26058 1 . SER 89 89 26058 1 . GLU 90 90 26058 1 . ASN 91 91 26058 1 . ILE 92 92 26058 1 . GLU 93 93 26058 1 . GLU 94 94 26058 1 . THR 95 95 26058 1 . ILE 96 96 26058 1 . THR 97 97 26058 1 . VAL 98 98 26058 1 . MET 99 99 26058 1 . LYS 100 100 26058 1 . LYS 101 101 26058 1 . LEU 102 102 26058 1 . GLU 103 103 26058 1 . GLU 104 104 26058 1 . PRO 105 105 26058 1 . ARG 106 106 26058 1 . GLN 107 107 26058 1 . LYS 108 108 26058 1 . VAL 109 109 26058 1 . VAL 110 110 26058 1 . LEU 111 111 26058 1 . ASP 112 112 26058 1 . THR 113 113 26058 1 . ALA 114 114 26058 1 . LYS 115 115 26058 1 . ILE 116 116 26058 1 . GLN 117 117 26058 1 . LEU 118 118 26058 1 . LYS 119 119 26058 1 . GLU 120 120 26058 1 . GLN 121 121 26058 1 . ASP 122 122 26058 1 . ARG 123 123 26058 1 . SER 124 124 26058 1 . HIS 125 125 26058 1 . HIS 126 126 26058 1 . HIS 127 127 26058 1 . HIS 128 128 26058 1 . HIS 129 129 26058 1 . HIS 130 130 26058 1 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 26058 _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 $d58CI . 35345 organism . 'bacteriophage TP901-1' 'Lactococcus phage TP901-1' . . Viruses . bacteriophage TP901-1 . . . . . . . . . . . . . 26058 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 26058 _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 $d58CI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . - . . - 26058 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26058 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'd58CI in Tris buffer at pH. 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 d58CI '[U-13C; U-15N]' . . 1 $d58CI . . 500 . . uM . . . . 26058 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 26058 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26058 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 26058 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 26058 1 pH 6.5 . pH 26058 1 pressure 1 . atm 26058 1 temperature 311 . K 26058 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26058 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26058 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26058 1 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 26058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 26058 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 26058 _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 Varian Unity . 600 . . . 26058 1 2 spectrometer_2 Varian Unity . 800 . . . 26058 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 26058 _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 . . . . . . . . . . . . . . . . . . . . . 26058 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26058 1 3 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26058 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26058 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26058 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 26058 _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 . . . . . 26058 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26058 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26058 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 26058 _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' . . . 26058 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN C C 13 175.34 . . . . . . . 2 GLN C . 26058 1 2 . 1 1 2 2 GLN CA C 13 56.11 . . . . . . . 2 GLN CA . 26058 1 3 . 1 1 3 3 THR H H 1 8.57 . . . . . . . 3 THR H . 26058 1 4 . 1 1 3 3 THR C C 13 172.39 . . . . . . . 3 THR C . 26058 1 5 . 1 1 3 3 THR CA C 13 59.83 . . . . . . . 3 THR CA . 26058 1 6 . 1 1 3 3 THR N N 15 119.28 . . . . . . . 3 THR N . 26058 1 7 . 1 1 4 4 ASP H H 1 8.44 . . . . . . . 4 ASP H . 26058 1 8 . 1 1 4 4 ASP C C 13 176.55 . . . . . . . 4 ASP C . 26058 1 9 . 1 1 4 4 ASP CA C 13 53.19 . . . . . . . 4 ASP CA . 26058 1 10 . 1 1 4 4 ASP N N 15 121.46 . . . . . . . 4 ASP N . 26058 1 11 . 1 1 5 5 THR H H 1 8.07 . . . . . . . 5 THR H . 26058 1 12 . 1 1 5 5 THR C C 13 175.89 . . . . . . . 5 THR C . 26058 1 13 . 1 1 5 5 THR CA C 13 66.16 . . . . . . . 5 THR CA . 26058 1 14 . 1 1 5 5 THR N N 15 116.08 . . . . . . . 5 THR N . 26058 1 15 . 1 1 6 6 SER H H 1 8.36 . . . . . . . 6 SER H . 26058 1 16 . 1 1 6 6 SER C C 13 176.14 . . . . . . . 6 SER C . 26058 1 17 . 1 1 6 6 SER CA C 13 62.49 . . . . . . . 6 SER CA . 26058 1 18 . 1 1 6 6 SER N N 15 117.59 . . . . . . . 6 SER N . 26058 1 19 . 1 1 7 7 ASN H H 1 7.89 . . . . . . . 7 ASN H . 26058 1 20 . 1 1 7 7 ASN C C 13 178.50 . . . . . . . 7 ASN C . 26058 1 21 . 1 1 7 7 ASN CA C 13 56.99 . . . . . . . 7 ASN CA . 26058 1 22 . 1 1 7 7 ASN N N 15 118.84 . . . . . . . 7 ASN N . 26058 1 23 . 1 1 8 8 ARG H H 1 7.86 . . . . . . . 8 ARG H . 26058 1 24 . 1 1 8 8 ARG C C 13 178.57 . . . . . . . 8 ARG C . 26058 1 25 . 1 1 8 8 ARG CA C 13 58.11 . . . . . . . 8 ARG CA . 26058 1 26 . 1 1 8 8 ARG N N 15 120.08 . . . . . . . 8 ARG N . 26058 1 27 . 1 1 9 9 LEU H H 1 8.59 . . . . . . . 9 LEU H . 26058 1 28 . 1 1 9 9 LEU C C 13 178.89 . . . . . . . 9 LEU C . 26058 1 29 . 1 1 9 9 LEU CA C 13 58.15 . . . . . . . 9 LEU CA . 26058 1 30 . 1 1 9 9 LEU N N 15 118.55 . . . . . . . 9 LEU N . 26058 1 31 . 1 1 10 10 LYS H H 1 8.10 . . . . . . . 10 LYS H . 26058 1 32 . 1 1 10 10 LYS C C 13 179.68 . . . . . . . 10 LYS C . 26058 1 33 . 1 1 10 10 LYS CA C 13 60.82 . . . . . . . 10 LYS CA . 26058 1 34 . 1 1 10 10 LYS N N 15 118.29 . . . . . . . 10 LYS N . 26058 1 35 . 1 1 11 11 GLN H H 1 8.31 . . . . . . . 11 GLN H . 26058 1 36 . 1 1 11 11 GLN C C 13 178.53 . . . . . . . 11 GLN C . 26058 1 37 . 1 1 11 11 GLN CA C 13 59.60 . . . . . . . 11 GLN CA . 26058 1 38 . 1 1 11 11 GLN N N 15 121.35 . . . . . . . 11 GLN N . 26058 1 39 . 1 1 12 12 ILE H H 1 8.36 . . . . . . . 12 ILE H . 26058 1 40 . 1 1 12 12 ILE C C 13 177.72 . . . . . . . 12 ILE C . 26058 1 41 . 1 1 12 12 ILE CA C 13 63.70 . . . . . . . 12 ILE CA . 26058 1 42 . 1 1 12 12 ILE N N 15 120.12 . . . . . . . 12 ILE N . 26058 1 43 . 1 1 13 13 MET H H 1 8.25 . . . . . . . 13 MET H . 26058 1 44 . 1 1 13 13 MET C C 13 178.38 . . . . . . . 13 MET C . 26058 1 45 . 1 1 13 13 MET CA C 13 61.08 . . . . . . . 13 MET CA . 26058 1 46 . 1 1 13 13 MET N N 15 119.38 . . . . . . . 13 MET N . 26058 1 47 . 1 1 14 14 ALA H H 1 7.84 . . . . . . . 14 ALA H . 26058 1 48 . 1 1 14 14 ALA C C 13 180.72 . . . . . . . 14 ALA C . 26058 1 49 . 1 1 14 14 ALA CA C 13 55.01 . . . . . . . 14 ALA CA . 26058 1 50 . 1 1 14 14 ALA N N 15 119.70 . . . . . . . 14 ALA N . 26058 1 51 . 1 1 15 15 GLU H H 1 8.57 . . . . . . . 15 GLU H . 26058 1 52 . 1 1 15 15 GLU C C 13 178.78 . . . . . . . 15 GLU C . 26058 1 53 . 1 1 15 15 GLU CA C 13 59.48 . . . . . . . 15 GLU CA . 26058 1 54 . 1 1 15 15 GLU N N 15 117.43 . . . . . . . 15 GLU N . 26058 1 55 . 1 1 16 16 ARG H H 1 8.03 . . . . . . . 16 ARG H . 26058 1 56 . 1 1 16 16 ARG C C 13 175.04 . . . . . . . 16 ARG C . 26058 1 57 . 1 1 16 16 ARG CA C 13 55.84 . . . . . . . 16 ARG CA . 26058 1 58 . 1 1 16 16 ARG N N 15 113.43 . . . . . . . 16 ARG N . 26058 1 59 . 1 1 17 17 ASN H H 1 7.61 . . . . . . . 17 ASN H . 26058 1 60 . 1 1 17 17 ASN C C 13 174.17 . . . . . . . 17 ASN C . 26058 1 61 . 1 1 17 17 ASN CA C 13 54.54 . . . . . . . 17 ASN CA . 26058 1 62 . 1 1 17 17 ASN N N 15 118.09 . . . . . . . 17 ASN N . 26058 1 63 . 1 1 18 18 LEU H H 1 8.34 . . . . . . . 18 LEU H . 26058 1 64 . 1 1 18 18 LEU C C 13 176.78 . . . . . . . 18 LEU C . 26058 1 65 . 1 1 18 18 LEU CA C 13 53.62 . . . . . . . 18 LEU CA . 26058 1 66 . 1 1 18 18 LEU N N 15 117.30 . . . . . . . 18 LEU N . 26058 1 67 . 1 1 19 19 LYS H H 1 9.39 . . . . . . . 19 LYS H . 26058 1 68 . 1 1 19 19 LYS C C 13 178.88 . . . . . . . 19 LYS C . 26058 1 69 . 1 1 19 19 LYS CA C 13 54.73 . . . . . . . 19 LYS CA . 26058 1 70 . 1 1 19 19 LYS N N 15 120.36 . . . . . . . 19 LYS N . 26058 1 71 . 1 1 20 20 GLN H H 1 9.12 . . . . . . . 20 GLN H . 26058 1 72 . 1 1 20 20 GLN C C 13 178.91 . . . . . . . 20 GLN C . 26058 1 73 . 1 1 20 20 GLN CA C 13 61.98 . . . . . . . 20 GLN CA . 26058 1 74 . 1 1 20 20 GLN N N 15 122.72 . . . . . . . 20 GLN N . 26058 1 75 . 1 1 21 21 VAL H H 1 8.25 . . . . . . . 21 VAL H . 26058 1 76 . 1 1 21 21 VAL C C 13 176.18 . . . . . . . 21 VAL C . 26058 1 77 . 1 1 21 21 VAL CA C 13 64.75 . . . . . . . 21 VAL CA . 26058 1 78 . 1 1 21 21 VAL N N 15 114.50 . . . . . . . 21 VAL N . 26058 1 79 . 1 1 22 22 ASP H H 1 6.87 . . . . . . . 22 ASP H . 26058 1 80 . 1 1 22 22 ASP C C 13 178.71 . . . . . . . 22 ASP C . 26058 1 81 . 1 1 22 22 ASP CA C 13 57.61 . . . . . . . 22 ASP CA . 26058 1 82 . 1 1 22 22 ASP N N 15 119.81 . . . . . . . 22 ASP N . 26058 1 83 . 1 1 23 23 ILE H H 1 7.45 . . . . . . . 23 ILE H . 26058 1 84 . 1 1 23 23 ILE C C 13 177.29 . . . . . . . 23 ILE C . 26058 1 85 . 1 1 23 23 ILE CA C 13 65.83 . . . . . . . 23 ILE CA . 26058 1 86 . 1 1 23 23 ILE N N 15 118.72 . . . . . . . 23 ILE N . 26058 1 87 . 1 1 24 24 LEU H H 1 7.90 . . . . . . . 24 LEU H . 26058 1 88 . 1 1 24 24 LEU C C 13 180.83 . . . . . . . 24 LEU C . 26058 1 89 . 1 1 24 24 LEU CA C 13 57.92 . . . . . . . 24 LEU CA . 26058 1 90 . 1 1 24 24 LEU N N 15 118.92 . . . . . . . 24 LEU N . 26058 1 91 . 1 1 25 25 ASN H H 1 8.55 . . . . . . . 25 ASN H . 26058 1 92 . 1 1 25 25 ASN C C 13 179.26 . . . . . . . 25 ASN C . 26058 1 93 . 1 1 25 25 ASN CA C 13 56.66 . . . . . . . 25 ASN CA . 26058 1 94 . 1 1 25 25 ASN N N 15 119.23 . . . . . . . 25 ASN N . 26058 1 95 . 1 1 26 26 LEU H H 1 8.58 . . . . . . . 26 LEU H . 26058 1 96 . 1 1 26 26 LEU C C 13 178.94 . . . . . . . 26 LEU C . 26058 1 97 . 1 1 26 26 LEU CA C 13 57.65 . . . . . . . 26 LEU CA . 26058 1 98 . 1 1 26 26 LEU N N 15 121.62 . . . . . . . 26 LEU N . 26058 1 99 . 1 1 27 27 SER H H 1 8.11 . . . . . . . 27 SER H . 26058 1 100 . 1 1 27 27 SER C C 13 177.00 . . . . . . . 27 SER C . 26058 1 101 . 1 1 27 27 SER CA C 13 60.60 . . . . . . . 27 SER CA . 26058 1 102 . 1 1 27 27 SER N N 15 111.70 . . . . . . . 27 SER N . 26058 1 103 . 1 1 28 28 ILE H H 1 7.61 . . . . . . . 28 ILE H . 26058 1 104 . 1 1 28 28 ILE C C 13 175.23 . . . . . . . 28 ILE C . 26058 1 105 . 1 1 28 28 ILE CA C 13 66.88 . . . . . . . 28 ILE CA . 26058 1 106 . 1 1 28 28 ILE N N 15 125.95 . . . . . . . 28 ILE N . 26058 1 107 . 1 1 29 29 PRO C C 13 179.75 . . . . . . . 29 PRO C . 26058 1 108 . 1 1 29 29 PRO CA C 13 65.56 . . . . . . . 29 PRO CA . 26058 1 109 . 1 1 30 30 PHE H H 1 6.98 . . . . . . . 30 PHE H . 26058 1 110 . 1 1 30 30 PHE C C 13 176.94 . . . . . . . 30 PHE C . 26058 1 111 . 1 1 30 30 PHE CA C 13 61.28 . . . . . . . 30 PHE CA . 26058 1 112 . 1 1 30 30 PHE N N 15 116.46 . . . . . . . 30 PHE N . 26058 1 113 . 1 1 31 31 GLN H H 1 8.88 . . . . . . . 31 GLN H . 26058 1 114 . 1 1 31 31 GLN C C 13 180.83 . . . . . . . 31 GLN C . 26058 1 115 . 1 1 31 31 GLN CA C 13 60.34 . . . . . . . 31 GLN CA . 26058 1 116 . 1 1 31 31 GLN N N 15 122.27 . . . . . . . 31 GLN N . 26058 1 117 . 1 1 32 32 LYS H H 1 7.58 . . . . . . . 32 LYS H . 26058 1 118 . 1 1 32 32 LYS C C 13 178.44 . . . . . . . 32 LYS C . 26058 1 119 . 1 1 32 32 LYS CA C 13 58.86 . . . . . . . 32 LYS CA . 26058 1 120 . 1 1 32 32 LYS N N 15 117.25 . . . . . . . 32 LYS N . 26058 1 121 . 1 1 33 33 LYS H H 1 7.59 . . . . . . . 33 LYS H . 26058 1 122 . 1 1 33 33 LYS C C 13 178.34 . . . . . . . 33 LYS C . 26058 1 123 . 1 1 33 33 LYS CA C 13 59.36 . . . . . . . 33 LYS CA . 26058 1 124 . 1 1 33 33 LYS N N 15 119.03 . . . . . . . 33 LYS N . 26058 1 125 . 1 1 34 34 PHE H H 1 8.29 . . . . . . . 34 PHE H . 26058 1 126 . 1 1 34 34 PHE C C 13 176.77 . . . . . . . 34 PHE C . 26058 1 127 . 1 1 34 34 PHE CA C 13 56.11 . . . . . . . 34 PHE CA . 26058 1 128 . 1 1 34 34 PHE N N 15 112.38 . . . . . . . 34 PHE N . 26058 1 129 . 1 1 35 35 GLY H H 1 7.87 . . . . . . . 35 GLY H . 26058 1 130 . 1 1 35 35 GLY C C 13 174.17 . . . . . . . 35 GLY C . 26058 1 131 . 1 1 35 35 GLY CA C 13 46.52 . . . . . . . 35 GLY CA . 26058 1 132 . 1 1 35 35 GLY N N 15 109.44 . . . . . . . 35 GLY N . 26058 1 133 . 1 1 36 36 ILE H H 1 7.09 . . . . . . . 36 ILE H . 26058 1 134 . 1 1 36 36 ILE C C 13 173.50 . . . . . . . 36 ILE C . 26058 1 135 . 1 1 36 36 ILE CA C 13 60.24 . . . . . . . 36 ILE CA . 26058 1 136 . 1 1 36 36 ILE N N 15 119.40 . . . . . . . 36 ILE N . 26058 1 137 . 1 1 37 37 LYS H H 1 8.16 . . . . . . . 37 LYS H . 26058 1 138 . 1 1 37 37 LYS C C 13 176.08 . . . . . . . 37 LYS C . 26058 1 139 . 1 1 37 37 LYS CA C 13 55.69 . . . . . . . 37 LYS CA . 26058 1 140 . 1 1 37 37 LYS N N 15 123.90 . . . . . . . 37 LYS N . 26058 1 141 . 1 1 38 38 LEU H H 1 7.19 . . . . . . . 38 LEU H . 26058 1 142 . 1 1 38 38 LEU C C 13 173.49 . . . . . . . 38 LEU C . 26058 1 143 . 1 1 38 38 LEU CA C 13 54.61 . . . . . . . 38 LEU CA . 26058 1 144 . 1 1 38 38 LEU N N 15 122.01 . . . . . . . 38 LEU N . 26058 1 145 . 1 1 39 39 SER H H 1 8.18 . . . . . . . 39 SER H . 26058 1 146 . 1 1 39 39 SER C C 13 174.37 . . . . . . . 39 SER C . 26058 1 147 . 1 1 39 39 SER CA C 13 56.21 . . . . . . . 39 SER CA . 26058 1 148 . 1 1 39 39 SER N N 15 121.61 . . . . . . . 39 SER N . 26058 1 149 . 1 1 40 40 LYS H H 1 8.94 . . . . . . . 40 LYS H . 26058 1 150 . 1 1 40 40 LYS C C 13 178.93 . . . . . . . 40 LYS C . 26058 1 151 . 1 1 40 40 LYS CA C 13 60.06 . . . . . . . 40 LYS CA . 26058 1 152 . 1 1 40 40 LYS N N 15 121.55 . . . . . . . 40 LYS N . 26058 1 153 . 1 1 41 41 SER C C 13 177.00 . . . . . . . 41 SER C . 26058 1 154 . 1 1 41 41 SER CA C 13 61.20 . . . . . . . 41 SER CA . 26058 1 155 . 1 1 42 42 THR H H 1 7.70 . . . . . . . 42 THR H . 26058 1 156 . 1 1 42 42 THR C C 13 174.98 . . . . . . . 42 THR C . 26058 1 157 . 1 1 42 42 THR CA C 13 66.28 . . . . . . . 42 THR CA . 26058 1 158 . 1 1 42 42 THR N N 15 120.46 . . . . . . . 42 THR N . 26058 1 159 . 1 1 43 43 LEU H H 1 7.84 . . . . . . . 43 LEU H . 26058 1 160 . 1 1 43 43 LEU C C 13 178.04 . . . . . . . 43 LEU C . 26058 1 161 . 1 1 43 43 LEU CA C 13 58.55 . . . . . . . 43 LEU CA . 26058 1 162 . 1 1 43 43 LEU N N 15 119.61 . . . . . . . 43 LEU N . 26058 1 163 . 1 1 44 44 SER H H 1 7.88 . . . . . . . 44 SER H . 26058 1 164 . 1 1 44 44 SER C C 13 177.31 . . . . . . . 44 SER C . 26058 1 165 . 1 1 44 44 SER CA C 13 61.52 . . . . . . . 44 SER CA . 26058 1 166 . 1 1 44 44 SER N N 15 112.75 . . . . . . . 44 SER N . 26058 1 167 . 1 1 45 45 GLN H H 1 7.64 . . . . . . . 45 GLN H . 26058 1 168 . 1 1 45 45 GLN C C 13 179.32 . . . . . . . 45 GLN C . 26058 1 169 . 1 1 45 45 GLN CA C 13 59.36 . . . . . . . 45 GLN CA . 26058 1 170 . 1 1 45 45 GLN N N 15 119.85 . . . . . . . 45 GLN N . 26058 1 171 . 1 1 46 46 TYR H H 1 8.03 . . . . . . . 46 TYR H . 26058 1 172 . 1 1 46 46 TYR C C 13 180.76 . . . . . . . 46 TYR C . 26058 1 173 . 1 1 46 46 TYR CA C 13 56.63 . . . . . . . 46 TYR CA . 26058 1 174 . 1 1 46 46 TYR N N 15 118.92 . . . . . . . 46 TYR N . 26058 1 175 . 1 1 47 47 VAL H H 1 8.36 . . . . . . . 47 VAL H . 26058 1 176 . 1 1 47 47 VAL C C 13 176.47 . . . . . . . 47 VAL C . 26058 1 177 . 1 1 47 47 VAL CA C 13 66.84 . . . . . . . 47 VAL CA . 26058 1 178 . 1 1 47 47 VAL N N 15 121.02 . . . . . . . 47 VAL N . 26058 1 179 . 1 1 48 48 ASN H H 1 8.07 . . . . . . . 48 ASN H . 26058 1 180 . 1 1 48 48 ASN C C 13 174.50 . . . . . . . 48 ASN C . 26058 1 181 . 1 1 48 48 ASN CA C 13 53.86 . . . . . . . 48 ASN CA . 26058 1 182 . 1 1 48 48 ASN N N 15 114.96 . . . . . . . 48 ASN N . 26058 1 183 . 1 1 49 49 SER H H 1 7.64 . . . . . . . 49 SER H . 26058 1 184 . 1 1 49 49 SER C C 13 174.11 . . . . . . . 49 SER C . 26058 1 185 . 1 1 49 49 SER CA C 13 59.91 . . . . . . . 49 SER CA . 26058 1 186 . 1 1 49 49 SER N N 15 112.46 . . . . . . . 49 SER N . 26058 1 187 . 1 1 50 50 VAL H H 1 8.44 . . . . . . . 50 VAL H . 26058 1 188 . 1 1 50 50 VAL C C 13 176.25 . . . . . . . 50 VAL C . 26058 1 189 . 1 1 50 50 VAL CA C 13 63.76 . . . . . . . 50 VAL CA . 26058 1 190 . 1 1 50 50 VAL N N 15 118.46 . . . . . . . 50 VAL N . 26058 1 191 . 1 1 51 51 GLN H H 1 7.29 . . . . . . . 51 GLN H . 26058 1 192 . 1 1 51 51 GLN C C 13 174.81 . . . . . . . 51 GLN C . 26058 1 193 . 1 1 51 51 GLN CA C 13 54.57 . . . . . . . 51 GLN CA . 26058 1 194 . 1 1 51 51 GLN N N 15 115.35 . . . . . . . 51 GLN N . 26058 1 195 . 1 1 52 52 SER H H 1 8.82 . . . . . . . 52 SER H . 26058 1 196 . 1 1 52 52 SER C C 13 172.27 . . . . . . . 52 SER C . 26058 1 197 . 1 1 52 52 SER CA C 13 56.25 . . . . . . . 52 SER CA . 26058 1 198 . 1 1 52 52 SER N N 15 119.41 . . . . . . . 52 SER N . 26058 1 199 . 1 1 53 53 PRO C C 13 175.51 . . . . . . . 53 PRO C . 26058 1 200 . 1 1 53 53 PRO CA C 13 62.81 . . . . . . . 53 PRO CA . 26058 1 201 . 1 1 54 54 ASP H H 1 7.16 . . . . . . . 54 ASP H . 26058 1 202 . 1 1 54 54 ASP C C 13 175.66 . . . . . . . 54 ASP C . 26058 1 203 . 1 1 54 54 ASP CA C 13 52.33 . . . . . . . 54 ASP CA . 26058 1 204 . 1 1 54 54 ASP N N 15 118.95 . . . . . . . 54 ASP N . 26058 1 205 . 1 1 55 55 GLN H H 1 8.67 . . . . . . . 55 GLN H . 26058 1 206 . 1 1 55 55 GLN C C 13 178.55 . . . . . . . 55 GLN C . 26058 1 207 . 1 1 55 55 GLN CA C 13 59.64 . . . . . . . 55 GLN CA . 26058 1 208 . 1 1 55 55 GLN N N 15 119.22 . . . . . . . 55 GLN N . 26058 1 209 . 1 1 56 56 ASN H H 1 8.42 . . . . . . . 56 ASN H . 26058 1 210 . 1 1 56 56 ASN C C 13 177.22 . . . . . . . 56 ASN C . 26058 1 211 . 1 1 56 56 ASN CA C 13 55.98 . . . . . . . 56 ASN CA . 26058 1 212 . 1 1 56 56 ASN N N 15 116.55 . . . . . . . 56 ASN N . 26058 1 213 . 1 1 57 57 ARG H H 1 8.13 . . . . . . . 57 ARG H . 26058 1 214 . 1 1 57 57 ARG C C 13 179.08 . . . . . . . 57 ARG C . 26058 1 215 . 1 1 57 57 ARG CA C 13 60.62 . . . . . . . 57 ARG CA . 26058 1 216 . 1 1 57 57 ARG N N 15 121.26 . . . . . . . 57 ARG N . 26058 1 217 . 1 1 58 58 ILE H H 1 8.38 . . . . . . . 58 ILE H . 26058 1 218 . 1 1 58 58 ILE C C 13 176.75 . . . . . . . 58 ILE C . 26058 1 219 . 1 1 58 58 ILE CA C 13 63.51 . . . . . . . 58 ILE CA . 26058 1 220 . 1 1 58 58 ILE N N 15 122.09 . . . . . . . 58 ILE N . 26058 1 221 . 1 1 59 59 TYR H H 1 7.95 . . . . . . . 59 TYR H . 26058 1 222 . 1 1 59 59 TYR C C 13 176.92 . . . . . . . 59 TYR C . 26058 1 223 . 1 1 59 59 TYR CA C 13 62.02 . . . . . . . 59 TYR CA . 26058 1 224 . 1 1 59 59 TYR N N 15 121.14 . . . . . . . 59 TYR N . 26058 1 225 . 1 1 60 60 LEU H H 1 8.11 . . . . . . . 60 LEU H . 26058 1 226 . 1 1 60 60 LEU C C 13 180.05 . . . . . . . 60 LEU C . 26058 1 227 . 1 1 60 60 LEU CA C 13 58.56 . . . . . . . 60 LEU CA . 26058 1 228 . 1 1 60 60 LEU N N 15 116.46 . . . . . . . 60 LEU N . 26058 1 229 . 1 1 61 61 LEU H H 1 8.62 . . . . . . . 61 LEU H . 26058 1 230 . 1 1 61 61 LEU C C 13 177.29 . . . . . . . 61 LEU C . 26058 1 231 . 1 1 61 61 LEU CA C 13 58.28 . . . . . . . 61 LEU CA . 26058 1 232 . 1 1 61 61 LEU N N 15 120.62 . . . . . . . 61 LEU N . 26058 1 233 . 1 1 62 62 ALA H H 1 8.81 . . . . . . . 62 ALA H . 26058 1 234 . 1 1 62 62 ALA C C 13 180.13 . . . . . . . 62 ALA C . 26058 1 235 . 1 1 62 62 ALA CA C 13 56.08 . . . . . . . 62 ALA CA . 26058 1 236 . 1 1 62 62 ALA N N 15 123.92 . . . . . . . 62 ALA N . 26058 1 237 . 1 1 63 63 LYS H H 1 7.77 . . . . . . . 63 LYS H . 26058 1 238 . 1 1 63 63 LYS C C 13 178.76 . . . . . . . 63 LYS C . 26058 1 239 . 1 1 63 63 LYS CA C 13 57.22 . . . . . . . 63 LYS CA . 26058 1 240 . 1 1 63 63 LYS N N 15 115.80 . . . . . . . 63 LYS N . 26058 1 241 . 1 1 64 64 THR H H 1 7.67 . . . . . . . 64 THR H . 26058 1 242 . 1 1 64 64 THR C C 13 175.43 . . . . . . . 64 THR C . 26058 1 243 . 1 1 64 64 THR CA C 13 66.93 . . . . . . . 64 THR CA . 26058 1 244 . 1 1 64 64 THR N N 15 115.33 . . . . . . . 64 THR N . 26058 1 245 . 1 1 65 65 LEU H H 1 7.77 . . . . . . . 65 LEU H . 26058 1 246 . 1 1 65 65 LEU C C 13 176.51 . . . . . . . 65 LEU C . 26058 1 247 . 1 1 65 65 LEU CA C 13 54.90 . . . . . . . 65 LEU CA . 26058 1 248 . 1 1 65 65 LEU N N 15 115.90 . . . . . . . 65 LEU N . 26058 1 249 . 1 1 66 66 GLY H H 1 7.86 . . . . . . . 66 GLY H . 26058 1 250 . 1 1 66 66 GLY C C 13 175.71 . . . . . . . 66 GLY C . 26058 1 251 . 1 1 66 66 GLY CA C 13 46.54 . . . . . . . 66 GLY CA . 26058 1 252 . 1 1 66 66 GLY N N 15 110.79 . . . . . . . 66 GLY N . 26058 1 253 . 1 1 67 67 VAL H H 1 7.98 . . . . . . . 67 VAL H . 26058 1 254 . 1 1 67 67 VAL C C 13 174.47 . . . . . . . 67 VAL C . 26058 1 255 . 1 1 67 67 VAL CA C 13 58.20 . . . . . . . 67 VAL CA . 26058 1 256 . 1 1 67 67 VAL N N 15 110.80 . . . . . . . 67 VAL N . 26058 1 257 . 1 1 68 68 SER H H 1 8.50 . . . . . . . 68 SER H . 26058 1 258 . 1 1 68 68 SER C C 13 176.25 . . . . . . . 68 SER C . 26058 1 259 . 1 1 68 68 SER CA C 13 57.66 . . . . . . . 68 SER CA . 26058 1 260 . 1 1 68 68 SER N N 15 114.76 . . . . . . . 68 SER N . 26058 1 261 . 1 1 69 69 GLU H H 1 9.32 . . . . . . . 69 GLU H . 26058 1 262 . 1 1 69 69 GLU C C 13 178.10 . . . . . . . 69 GLU C . 26058 1 263 . 1 1 69 69 GLU CA C 13 60.98 . . . . . . . 69 GLU CA . 26058 1 264 . 1 1 69 69 GLU N N 15 126.75 . . . . . . . 69 GLU N . 26058 1 265 . 1 1 70 70 ALA H H 1 8.29 . . . . . . . 70 ALA H . 26058 1 266 . 1 1 70 70 ALA C C 13 179.24 . . . . . . . 70 ALA C . 26058 1 267 . 1 1 70 70 ALA CA C 13 55.33 . . . . . . . 70 ALA CA . 26058 1 268 . 1 1 70 70 ALA N N 15 119.38 . . . . . . . 70 ALA N . 26058 1 269 . 1 1 71 71 TRP H H 1 7.67 . . . . . . . 71 TRP H . 26058 1 270 . 1 1 71 71 TRP C C 13 181.35 . . . . . . . 71 TRP C . 26058 1 271 . 1 1 71 71 TRP CA C 13 62.33 . . . . . . . 71 TRP CA . 26058 1 272 . 1 1 71 71 TRP N N 15 119.33 . . . . . . . 71 TRP N . 26058 1 273 . 1 1 72 72 LEU H H 1 8.29 . . . . . . . 72 LEU H . 26058 1 274 . 1 1 72 72 LEU C C 13 177.08 . . . . . . . 72 LEU C . 26058 1 275 . 1 1 72 72 LEU CA C 13 57.70 . . . . . . . 72 LEU CA . 26058 1 276 . 1 1 72 72 LEU N N 15 121.91 . . . . . . . 72 LEU N . 26058 1 277 . 1 1 73 73 MET H H 1 7.84 . . . . . . . 73 MET H . 26058 1 278 . 1 1 73 73 MET C C 13 175.35 . . . . . . . 73 MET C . 26058 1 279 . 1 1 73 73 MET CA C 13 57.38 . . . . . . . 73 MET CA . 26058 1 280 . 1 1 73 73 MET N N 15 115.13 . . . . . . . 73 MET N . 26058 1 281 . 1 1 74 74 GLY H H 1 7.50 . . . . . . . 74 GLY H . 26058 1 282 . 1 1 74 74 GLY C C 13 174.02 . . . . . . . 74 GLY C . 26058 1 283 . 1 1 74 74 GLY CA C 13 44.02 . . . . . . . 74 GLY CA . 26058 1 284 . 1 1 74 74 GLY N N 15 103.64 . . . . . . . 74 GLY N . 26058 1 285 . 1 1 75 75 PHE H H 1 7.61 . . . . . . . 75 PHE H . 26058 1 286 . 1 1 75 75 PHE C C 13 175.93 . . . . . . . 75 PHE C . 26058 1 287 . 1 1 75 75 PHE CA C 13 58.57 . . . . . . . 75 PHE CA . 26058 1 288 . 1 1 75 75 PHE N N 15 118.53 . . . . . . . 75 PHE N . 26058 1 289 . 1 1 76 76 ASP H H 1 9.01 . . . . . . . 76 ASP H . 26058 1 290 . 1 1 76 76 ASP C C 13 174.68 . . . . . . . 76 ASP C . 26058 1 291 . 1 1 76 76 ASP CA C 13 53.73 . . . . . . . 76 ASP CA . 26058 1 292 . 1 1 76 76 ASP N N 15 123.20 . . . . . . . 76 ASP N . 26058 1 293 . 1 1 77 77 VAL H H 1 7.64 . . . . . . . 77 VAL H . 26058 1 294 . 1 1 77 77 VAL C C 13 173.68 . . . . . . . 77 VAL C . 26058 1 295 . 1 1 77 77 VAL CA C 13 58.33 . . . . . . . 77 VAL CA . 26058 1 296 . 1 1 77 77 VAL N N 15 117.46 . . . . . . . 77 VAL N . 26058 1 297 . 1 1 78 78 PRO C C 13 176.42 . . . . . . . 78 PRO C . 26058 1 298 . 1 1 78 78 PRO CA C 13 63.21 . . . . . . . 78 PRO CA . 26058 1 299 . 1 1 79 79 MET H H 1 8.11 . . . . . . . 79 MET H . 26058 1 300 . 1 1 79 79 MET C C 13 175.01 . . . . . . . 79 MET C . 26058 1 301 . 1 1 79 79 MET CA C 13 58.81 . . . . . . . 79 MET CA . 26058 1 302 . 1 1 79 79 MET N N 15 121.49 . . . . . . . 79 MET N . 26058 1 303 . 1 1 80 80 VAL H H 1 7.19 . . . . . . . 80 VAL H . 26058 1 304 . 1 1 80 80 VAL C C 13 175.65 . . . . . . . 80 VAL C . 26058 1 305 . 1 1 80 80 VAL CA C 13 60.77 . . . . . . . 80 VAL CA . 26058 1 306 . 1 1 80 80 VAL N N 15 111.95 . . . . . . . 80 VAL N . 26058 1 307 . 1 1 81 81 GLU H H 1 8.43 . . . . . . . 81 GLU H . 26058 1 308 . 1 1 81 81 GLU C C 13 176.35 . . . . . . . 81 GLU C . 26058 1 309 . 1 1 81 81 GLU CA C 13 56.68 . . . . . . . 81 GLU CA . 26058 1 310 . 1 1 81 81 GLU N N 15 124.85 . . . . . . . 81 GLU N . 26058 1 311 . 1 1 82 82 SER H H 1 8.35 . . . . . . . 82 SER H . 26058 1 312 . 1 1 82 82 SER C C 13 174.56 . . . . . . . 82 SER C . 26058 1 313 . 1 1 82 82 SER CA C 13 58.62 . . . . . . . 82 SER CA . 26058 1 314 . 1 1 82 82 SER N N 15 117.98 . . . . . . . 82 SER N . 26058 1 315 . 1 1 83 83 SER H H 1 8.33 . . . . . . . 83 SER H . 26058 1 316 . 1 1 83 83 SER C C 13 174.22 . . . . . . . 83 SER C . 26058 1 317 . 1 1 83 83 SER CA C 13 58.62 . . . . . . . 83 SER CA . 26058 1 318 . 1 1 83 83 SER N N 15 117.97 . . . . . . . 83 SER N . 26058 1 319 . 1 1 84 84 LYS H H 1 8.20 . . . . . . . 84 LYS H . 26058 1 320 . 1 1 84 84 LYS C C 13 176.22 . . . . . . . 84 LYS C . 26058 1 321 . 1 1 84 84 LYS CA C 13 56.46 . . . . . . . 84 LYS CA . 26058 1 322 . 1 1 84 84 LYS N N 15 123.17 . . . . . . . 84 LYS N . 26058 1 323 . 1 1 85 85 ILE H H 1 8.10 . . . . . . . 85 ILE H . 26058 1 324 . 1 1 85 85 ILE C C 13 176.15 . . . . . . . 85 ILE C . 26058 1 325 . 1 1 85 85 ILE CA C 13 61.29 . . . . . . . 85 ILE CA . 26058 1 326 . 1 1 85 85 ILE N N 15 122.45 . . . . . . . 85 ILE N . 26058 1 327 . 1 1 86 86 GLU H H 1 8.40 . . . . . . . 86 GLU H . 26058 1 328 . 1 1 86 86 GLU C C 13 175.96 . . . . . . . 86 GLU C . 26058 1 329 . 1 1 86 86 GLU CA C 13 56.65 . . . . . . . 86 GLU CA . 26058 1 330 . 1 1 86 86 GLU N N 15 124.79 . . . . . . . 86 GLU N . 26058 1 331 . 1 1 87 87 ASN H H 1 8.43 . . . . . . . 87 ASN H . 26058 1 332 . 1 1 87 87 ASN C C 13 174.86 . . . . . . . 87 ASN C . 26058 1 333 . 1 1 87 87 ASN CA C 13 53.69 . . . . . . . 87 ASN CA . 26058 1 334 . 1 1 87 87 ASN N N 15 119.91 . . . . . . . 87 ASN N . 26058 1 335 . 1 1 88 88 ASP H H 1 8.36 . . . . . . . 88 ASP H . 26058 1 336 . 1 1 88 88 ASP C C 13 176.31 . . . . . . . 88 ASP C . 26058 1 337 . 1 1 88 88 ASP CA C 13 54.95 . . . . . . . 88 ASP CA . 26058 1 338 . 1 1 88 88 ASP N N 15 121.00 . . . . . . . 88 ASP N . 26058 1 339 . 1 1 89 89 SER H H 1 8.20 . . . . . . . 89 SER H . 26058 1 340 . 1 1 89 89 SER C C 13 175.43 . . . . . . . 89 SER C . 26058 1 341 . 1 1 89 89 SER CA C 13 58.22 . . . . . . . 89 SER CA . 26058 1 342 . 1 1 89 89 SER N N 15 115.10 . . . . . . . 89 SER N . 26058 1 343 . 1 1 90 90 GLU H H 1 8.82 . . . . . . . 90 GLU H . 26058 1 344 . 1 1 90 90 GLU C C 13 178.00 . . . . . . . 90 GLU C . 26058 1 345 . 1 1 90 90 GLU CA C 13 59.27 . . . . . . . 90 GLU CA . 26058 1 346 . 1 1 90 90 GLU N N 15 125.15 . . . . . . . 90 GLU N . 26058 1 347 . 1 1 91 91 ASN H H 1 8.46 . . . . . . . 91 ASN H . 26058 1 348 . 1 1 91 91 ASN C C 13 178.60 . . . . . . . 91 ASN C . 26058 1 349 . 1 1 91 91 ASN CA C 13 56.37 . . . . . . . 91 ASN CA . 26058 1 350 . 1 1 91 91 ASN N N 15 115.80 . . . . . . . 91 ASN N . 26058 1 351 . 1 1 92 92 ILE H H 1 7.89 . . . . . . . 92 ILE H . 26058 1 352 . 1 1 92 92 ILE C C 13 176.70 . . . . . . . 92 ILE C . 26058 1 353 . 1 1 92 92 ILE CA C 13 65.94 . . . . . . . 92 ILE CA . 26058 1 354 . 1 1 92 92 ILE N N 15 122.31 . . . . . . . 92 ILE N . 26058 1 355 . 1 1 93 93 GLU H H 1 8.16 . . . . . . . 93 GLU H . 26058 1 356 . 1 1 93 93 GLU C C 13 179.65 . . . . . . . 93 GLU C . 26058 1 357 . 1 1 93 93 GLU CA C 13 60.18 . . . . . . . 93 GLU CA . 26058 1 358 . 1 1 93 93 GLU N N 15 119.83 . . . . . . . 93 GLU N . 26058 1 359 . 1 1 94 94 GLU H H 1 8.34 . . . . . . . 94 GLU H . 26058 1 360 . 1 1 94 94 GLU C C 13 178.48 . . . . . . . 94 GLU C . 26058 1 361 . 1 1 94 94 GLU CA C 13 59.59 . . . . . . . 94 GLU CA . 26058 1 362 . 1 1 94 94 GLU N N 15 118.00 . . . . . . . 94 GLU N . 26058 1 363 . 1 1 95 95 THR H H 1 7.64 . . . . . . . 95 THR H . 26058 1 364 . 1 1 95 95 THR C C 13 176.47 . . . . . . . 95 THR C . 26058 1 365 . 1 1 95 95 THR CA C 13 68.39 . . . . . . . 95 THR CA . 26058 1 366 . 1 1 95 95 THR N N 15 117.00 . . . . . . . 95 THR N . 26058 1 367 . 1 1 96 96 ILE H H 1 8.31 . . . . . . . 96 ILE H . 26058 1 368 . 1 1 96 96 ILE C C 13 177.09 . . . . . . . 96 ILE C . 26058 1 369 . 1 1 96 96 ILE CA C 13 66.01 . . . . . . . 96 ILE CA . 26058 1 370 . 1 1 96 96 ILE N N 15 121.80 . . . . . . . 96 ILE N . 26058 1 371 . 1 1 97 97 THR H H 1 7.75 . . . . . . . 97 THR H . 26058 1 372 . 1 1 97 97 THR C C 13 176.64 . . . . . . . 97 THR C . 26058 1 373 . 1 1 97 97 THR CA C 13 66.85 . . . . . . . 97 THR CA . 26058 1 374 . 1 1 97 97 THR N N 15 114.95 . . . . . . . 97 THR N . 26058 1 375 . 1 1 98 98 VAL H H 1 7.73 . . . . . . . 98 VAL H . 26058 1 376 . 1 1 98 98 VAL C C 13 178.39 . . . . . . . 98 VAL C . 26058 1 377 . 1 1 98 98 VAL CA C 13 66.60 . . . . . . . 98 VAL CA . 26058 1 378 . 1 1 98 98 VAL N N 15 119.91 . . . . . . . 98 VAL N . 26058 1 379 . 1 1 99 99 MET H H 1 8.94 . . . . . . . 99 MET H . 26058 1 380 . 1 1 99 99 MET C C 13 178.90 . . . . . . . 99 MET C . 26058 1 381 . 1 1 99 99 MET CA C 13 60.43 . . . . . . . 99 MET CA . 26058 1 382 . 1 1 99 99 MET N N 15 117.19 . . . . . . . 99 MET N . 26058 1 383 . 1 1 100 100 LYS H H 1 8.07 . . . . . . . 100 LYS H . 26058 1 384 . 1 1 100 100 LYS C C 13 177.69 . . . . . . . 100 LYS C . 26058 1 385 . 1 1 100 100 LYS CA C 13 59.48 . . . . . . . 100 LYS CA . 26058 1 386 . 1 1 100 100 LYS N N 15 116.63 . . . . . . . 100 LYS N . 26058 1 387 . 1 1 101 101 LYS H H 1 7.63 . . . . . . . 101 LYS H . 26058 1 388 . 1 1 101 101 LYS C C 13 177.05 . . . . . . . 101 LYS C . 26058 1 389 . 1 1 101 101 LYS CA C 13 56.47 . . . . . . . 101 LYS CA . 26058 1 390 . 1 1 101 101 LYS N N 15 116.61 . . . . . . . 101 LYS N . 26058 1 391 . 1 1 102 102 LEU H H 1 7.56 . . . . . . . 102 LEU H . 26058 1 392 . 1 1 102 102 LEU C C 13 177.42 . . . . . . . 102 LEU C . 26058 1 393 . 1 1 102 102 LEU CA C 13 54.08 . . . . . . . 102 LEU CA . 26058 1 394 . 1 1 102 102 LEU N N 15 119.98 . . . . . . . 102 LEU N . 26058 1 395 . 1 1 103 103 GLU H H 1 9.06 . . . . . . . 103 GLU H . 26058 1 396 . 1 1 103 103 GLU C C 13 178.42 . . . . . . . 103 GLU C . 26058 1 397 . 1 1 103 103 GLU CA C 13 56.04 . . . . . . . 103 GLU CA . 26058 1 398 . 1 1 103 103 GLU N N 15 121.46 . . . . . . . 103 GLU N . 26058 1 399 . 1 1 104 104 GLU H H 1 9.19 . . . . . . . 104 GLU H . 26058 1 400 . 1 1 104 104 GLU C C 13 174.94 . . . . . . . 104 GLU C . 26058 1 401 . 1 1 104 104 GLU CA C 13 62.70 . . . . . . . 104 GLU CA . 26058 1 402 . 1 1 104 104 GLU N N 15 124.51 . . . . . . . 104 GLU N . 26058 1 403 . 1 1 105 105 PRO C C 13 179.71 . . . . . . . 105 PRO C . 26058 1 404 . 1 1 105 105 PRO CA C 13 66.10 . . . . . . . 105 PRO CA . 26058 1 405 . 1 1 106 106 ARG H H 1 7.18 . . . . . . . 106 ARG H . 26058 1 406 . 1 1 106 106 ARG C C 13 178.76 . . . . . . . 106 ARG C . 26058 1 407 . 1 1 106 106 ARG CA C 13 59.36 . . . . . . . 106 ARG CA . 26058 1 408 . 1 1 106 106 ARG N N 15 114.85 . . . . . . . 106 ARG N . 26058 1 409 . 1 1 107 107 GLN H H 1 8.06 . . . . . . . 107 GLN H . 26058 1 410 . 1 1 107 107 GLN C C 13 179.09 . . . . . . . 107 GLN C . 26058 1 411 . 1 1 107 107 GLN CA C 13 59.57 . . . . . . . 107 GLN CA . 26058 1 412 . 1 1 107 107 GLN N N 15 118.94 . . . . . . . 107 GLN N . 26058 1 413 . 1 1 108 108 LYS H H 1 7.68 . . . . . . . 108 LYS H . 26058 1 414 . 1 1 108 108 LYS C C 13 177.55 . . . . . . . 108 LYS C . 26058 1 415 . 1 1 108 108 LYS CA C 13 59.59 . . . . . . . 108 LYS CA . 26058 1 416 . 1 1 108 108 LYS N N 15 116.79 . . . . . . . 108 LYS N . 26058 1 417 . 1 1 109 109 VAL H H 1 7.01 . . . . . . . 109 VAL H . 26058 1 418 . 1 1 109 109 VAL C C 13 179.48 . . . . . . . 109 VAL C . 26058 1 419 . 1 1 109 109 VAL CA C 13 66.11 . . . . . . . 109 VAL CA . 26058 1 420 . 1 1 109 109 VAL N N 15 118.64 . . . . . . . 109 VAL N . 26058 1 421 . 1 1 110 110 VAL H H 1 7.34 . . . . . . . 110 VAL H . 26058 1 422 . 1 1 110 110 VAL C C 13 176.93 . . . . . . . 110 VAL C . 26058 1 423 . 1 1 110 110 VAL CA C 13 67.44 . . . . . . . 110 VAL CA . 26058 1 424 . 1 1 110 110 VAL N N 15 122.54 . . . . . . . 110 VAL N . 26058 1 425 . 1 1 111 111 LEU H H 1 7.90 . . . . . . . 111 LEU H . 26058 1 426 . 1 1 111 111 LEU C C 13 178.48 . . . . . . . 111 LEU C . 26058 1 427 . 1 1 111 111 LEU CA C 13 58.48 . . . . . . . 111 LEU CA . 26058 1 428 . 1 1 111 111 LEU N N 15 121.88 . . . . . . . 111 LEU N . 26058 1 429 . 1 1 112 112 ASP H H 1 8.87 . . . . . . . 112 ASP H . 26058 1 430 . 1 1 112 112 ASP C C 13 179.55 . . . . . . . 112 ASP C . 26058 1 431 . 1 1 112 112 ASP CA C 13 57.96 . . . . . . . 112 ASP CA . 26058 1 432 . 1 1 112 112 ASP N N 15 119.07 . . . . . . . 112 ASP N . 26058 1 433 . 1 1 113 113 THR H H 1 8.03 . . . . . . . 113 THR H . 26058 1 434 . 1 1 113 113 THR C C 13 175.95 . . . . . . . 113 THR C . 26058 1 435 . 1 1 113 113 THR CA C 13 67.39 . . . . . . . 113 THR CA . 26058 1 436 . 1 1 113 113 THR N N 15 117.24 . . . . . . . 113 THR N . 26058 1 437 . 1 1 114 114 ALA H H 1 8.44 . . . . . . . 114 ALA H . 26058 1 438 . 1 1 114 114 ALA C C 13 178.48 . . . . . . . 114 ALA C . 26058 1 439 . 1 1 114 114 ALA CA C 13 56.10 . . . . . . . 114 ALA CA . 26058 1 440 . 1 1 114 114 ALA N N 15 125.34 . . . . . . . 114 ALA N . 26058 1 441 . 1 1 115 115 LYS H H 1 8.50 . . . . . . . 115 LYS H . 26058 1 442 . 1 1 115 115 LYS C C 13 180.12 . . . . . . . 115 LYS C . 26058 1 443 . 1 1 115 115 LYS CA C 13 61.03 . . . . . . . 115 LYS CA . 26058 1 444 . 1 1 115 115 LYS N N 15 116.85 . . . . . . . 115 LYS N . 26058 1 445 . 1 1 116 116 ILE H H 1 8.31 . . . . . . . 116 ILE H . 26058 1 446 . 1 1 116 116 ILE C C 13 178.61 . . . . . . . 116 ILE C . 26058 1 447 . 1 1 116 116 ILE CA C 13 64.96 . . . . . . . 116 ILE CA . 26058 1 448 . 1 1 116 116 ILE N N 15 122.70 . . . . . . . 116 ILE N . 26058 1 449 . 1 1 117 117 GLN H H 1 8.28 . . . . . . . 117 GLN H . 26058 1 450 . 1 1 117 117 GLN C C 13 177.78 . . . . . . . 117 GLN C . 26058 1 451 . 1 1 117 117 GLN CA C 13 58.46 . . . . . . . 117 GLN CA . 26058 1 452 . 1 1 117 117 GLN N N 15 118.81 . . . . . . . 117 GLN N . 26058 1 453 . 1 1 118 118 LEU H H 1 8.08 . . . . . . . 118 LEU H . 26058 1 454 . 1 1 118 118 LEU C C 13 177.77 . . . . . . . 118 LEU C . 26058 1 455 . 1 1 118 118 LEU CA C 13 57.89 . . . . . . . 118 LEU CA . 26058 1 456 . 1 1 118 118 LEU N N 15 120.81 . . . . . . . 118 LEU N . 26058 1 457 . 1 1 119 119 LYS H H 1 7.80 . . . . . . . 119 LYS H . 26058 1 458 . 1 1 119 119 LYS C C 13 179.97 . . . . . . . 119 LYS C . 26058 1 459 . 1 1 119 119 LYS CA C 13 59.62 . . . . . . . 119 LYS CA . 26058 1 460 . 1 1 119 119 LYS N N 15 119.78 . . . . . . . 119 LYS N . 26058 1 461 . 1 1 120 120 GLU H H 1 8.28 . . . . . . . 120 GLU H . 26058 1 462 . 1 1 120 120 GLU C C 13 179.31 . . . . . . . 120 GLU C . 26058 1 463 . 1 1 120 120 GLU CA C 13 59.43 . . . . . . . 120 GLU CA . 26058 1 464 . 1 1 120 120 GLU N N 15 118.79 . . . . . . . 120 GLU N . 26058 1 465 . 1 1 121 121 GLN H H 1 8.43 . . . . . . . 121 GLN H . 26058 1 466 . 1 1 121 121 GLN C C 13 178.59 . . . . . . . 121 GLN C . 26058 1 467 . 1 1 121 121 GLN CA C 13 59.82 . . . . . . . 121 GLN CA . 26058 1 468 . 1 1 121 121 GLN N N 15 122.37 . . . . . . . 121 GLN N . 26058 1 469 . 1 1 122 122 ASP H H 1 8.55 . . . . . . . 122 ASP H . 26058 1 470 . 1 1 122 122 ASP C C 13 178.46 . . . . . . . 122 ASP C . 26058 1 471 . 1 1 122 122 ASP CA C 13 57.11 . . . . . . . 122 ASP CA . 26058 1 472 . 1 1 122 122 ASP N N 15 119.64 . . . . . . . 122 ASP N . 26058 1 473 . 1 1 123 123 ARG H H 1 7.80 . . . . . . . 123 ARG H . 26058 1 474 . 1 1 123 123 ARG C C 13 177.95 . . . . . . . 123 ARG C . 26058 1 475 . 1 1 123 123 ARG CA C 13 58.36 . . . . . . . 123 ARG CA . 26058 1 476 . 1 1 123 123 ARG N N 15 118.97 . . . . . . . 123 ARG N . 26058 1 477 . 1 1 124 124 SER H H 1 7.92 . . . . . . . 124 SER H . 26058 1 478 . 1 1 124 124 SER C C 13 174.89 . . . . . . . 124 SER C . 26058 1 479 . 1 1 124 124 SER CA C 13 60.12 . . . . . . . 124 SER CA . 26058 1 480 . 1 1 124 124 SER N N 15 114.62 . . . . . . . 124 SER N . 26058 1 stop_ save_