data_26656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26656 _Entry.Title ; Backbone 1H, 13C, 15N Chemical Shift Assignments for Full-length HIV-1 Transactivator of Transcription ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-11 _Entry.Accession_date 2015-09-11 _Entry.Last_release_date 2016-09-09 _Entry.Original_release_date 2016-09-09 _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 Vu To . . . . 26656 2 Joe O'Neil . . . . 26656 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 Manitoba' . 26656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 26656 '15N chemical shifts' 105 26656 '1H chemical shifts' 215 26656 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 . . 2016-09-09 . original BMRB . 26656 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26656 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26866386 _Citation.Full_citation . _Citation.Title ; The Dynamic Landscape of the Full-Length HIV-1 Transactivator of Transcription ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 9 _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 1314 _Citation.Page_last 1325 _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 Vu To . . . . 26656 1 2 Edis Dzananovic . . . . 26656 1 3 Sean McKenna . . . . 26656 1 4 Joe O'Neil . . . . 26656 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HIV-1 Tat' 26656 1 dynamics 26656 1 'hydrogen exchange' 26656 1 relaxation 26656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26656 _Assembly.ID 1 _Assembly.Name 'Full-length HIV-1 Transactivator of Transcription' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tat101 1 $Tat101 A . yes native no no . . . 26656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tat101 _Entity.Sf_category entity _Entity.Sf_framecode Tat101 _Entity.Entry_ID 26656 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tat101 _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 ; MGSSHHHHHHSSGLVPRGSH MEPVDPRLEPWKHPGSQPKT ACTNCYCKKCCFHCQVCFIT KALGISYGRKKRRQRRRPPQ GSQTHQVSLSKQPASQPRGD PTGPKESKKKVERETETDPV D ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Full-length HIV-1 Transactivator of transcription. This construct has a his-tag and thrombin digestion site on the N-terminal, accounting for the first 20 amino acids. ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13670.4717 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26656 1 2 . GLY . 26656 1 3 . SER . 26656 1 4 . SER . 26656 1 5 . HIS . 26656 1 6 . HIS . 26656 1 7 . HIS . 26656 1 8 . HIS . 26656 1 9 . HIS . 26656 1 10 . HIS . 26656 1 11 . SER . 26656 1 12 . SER . 26656 1 13 . GLY . 26656 1 14 . LEU . 26656 1 15 . VAL . 26656 1 16 . PRO . 26656 1 17 . ARG . 26656 1 18 . GLY . 26656 1 19 . SER . 26656 1 20 . HIS . 26656 1 21 . MET . 26656 1 22 . GLU . 26656 1 23 . PRO . 26656 1 24 . VAL . 26656 1 25 . ASP . 26656 1 26 . PRO . 26656 1 27 . ARG . 26656 1 28 . LEU . 26656 1 29 . GLU . 26656 1 30 . PRO . 26656 1 31 . TRP . 26656 1 32 . LYS . 26656 1 33 . HIS . 26656 1 34 . PRO . 26656 1 35 . GLY . 26656 1 36 . SER . 26656 1 37 . GLN . 26656 1 38 . PRO . 26656 1 39 . LYS . 26656 1 40 . THR . 26656 1 41 . ALA . 26656 1 42 . CYS . 26656 1 43 . THR . 26656 1 44 . ASN . 26656 1 45 . CYS . 26656 1 46 . TYR . 26656 1 47 . CYS . 26656 1 48 . LYS . 26656 1 49 . LYS . 26656 1 50 . CYS . 26656 1 51 . CYS . 26656 1 52 . PHE . 26656 1 53 . HIS . 26656 1 54 . CYS . 26656 1 55 . GLN . 26656 1 56 . VAL . 26656 1 57 . CYS . 26656 1 58 . PHE . 26656 1 59 . ILE . 26656 1 60 . THR . 26656 1 61 . LYS . 26656 1 62 . ALA . 26656 1 63 . LEU . 26656 1 64 . GLY . 26656 1 65 . ILE . 26656 1 66 . SER . 26656 1 67 . TYR . 26656 1 68 . GLY . 26656 1 69 . ARG . 26656 1 70 . LYS . 26656 1 71 . LYS . 26656 1 72 . ARG . 26656 1 73 . ARG . 26656 1 74 . GLN . 26656 1 75 . ARG . 26656 1 76 . ARG . 26656 1 77 . ARG . 26656 1 78 . PRO . 26656 1 79 . PRO . 26656 1 80 . GLN . 26656 1 81 . GLY . 26656 1 82 . SER . 26656 1 83 . GLN . 26656 1 84 . THR . 26656 1 85 . HIS . 26656 1 86 . GLN . 26656 1 87 . VAL . 26656 1 88 . SER . 26656 1 89 . LEU . 26656 1 90 . SER . 26656 1 91 . LYS . 26656 1 92 . GLN . 26656 1 93 . PRO . 26656 1 94 . ALA . 26656 1 95 . SER . 26656 1 96 . GLN . 26656 1 97 . PRO . 26656 1 98 . ARG . 26656 1 99 . GLY . 26656 1 100 . ASP . 26656 1 101 . PRO . 26656 1 102 . THR . 26656 1 103 . GLY . 26656 1 104 . PRO . 26656 1 105 . LYS . 26656 1 106 . GLU . 26656 1 107 . SER . 26656 1 108 . LYS . 26656 1 109 . LYS . 26656 1 110 . LYS . 26656 1 111 . VAL . 26656 1 112 . GLU . 26656 1 113 . ARG . 26656 1 114 . GLU . 26656 1 115 . THR . 26656 1 116 . GLU . 26656 1 117 . THR . 26656 1 118 . ASP . 26656 1 119 . PRO . 26656 1 120 . VAL . 26656 1 121 . ASP . 26656 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 26656 1 . GLY 2 2 26656 1 . SER 3 3 26656 1 . SER 4 4 26656 1 . HIS 5 5 26656 1 . HIS 6 6 26656 1 . HIS 7 7 26656 1 . HIS 8 8 26656 1 . HIS 9 9 26656 1 . HIS 10 10 26656 1 . SER 11 11 26656 1 . SER 12 12 26656 1 . GLY 13 13 26656 1 . LEU 14 14 26656 1 . VAL 15 15 26656 1 . PRO 16 16 26656 1 . ARG 17 17 26656 1 . GLY 18 18 26656 1 . SER 19 19 26656 1 . HIS 20 20 26656 1 . MET 21 21 26656 1 . GLU 22 22 26656 1 . PRO 23 23 26656 1 . VAL 24 24 26656 1 . ASP 25 25 26656 1 . PRO 26 26 26656 1 . ARG 27 27 26656 1 . LEU 28 28 26656 1 . GLU 29 29 26656 1 . PRO 30 30 26656 1 . TRP 31 31 26656 1 . LYS 32 32 26656 1 . HIS 33 33 26656 1 . PRO 34 34 26656 1 . GLY 35 35 26656 1 . SER 36 36 26656 1 . GLN 37 37 26656 1 . PRO 38 38 26656 1 . LYS 39 39 26656 1 . THR 40 40 26656 1 . ALA 41 41 26656 1 . CYS 42 42 26656 1 . THR 43 43 26656 1 . ASN 44 44 26656 1 . CYS 45 45 26656 1 . TYR 46 46 26656 1 . CYS 47 47 26656 1 . LYS 48 48 26656 1 . LYS 49 49 26656 1 . CYS 50 50 26656 1 . CYS 51 51 26656 1 . PHE 52 52 26656 1 . HIS 53 53 26656 1 . CYS 54 54 26656 1 . GLN 55 55 26656 1 . VAL 56 56 26656 1 . CYS 57 57 26656 1 . PHE 58 58 26656 1 . ILE 59 59 26656 1 . THR 60 60 26656 1 . LYS 61 61 26656 1 . ALA 62 62 26656 1 . LEU 63 63 26656 1 . GLY 64 64 26656 1 . ILE 65 65 26656 1 . SER 66 66 26656 1 . TYR 67 67 26656 1 . GLY 68 68 26656 1 . ARG 69 69 26656 1 . LYS 70 70 26656 1 . LYS 71 71 26656 1 . ARG 72 72 26656 1 . ARG 73 73 26656 1 . GLN 74 74 26656 1 . ARG 75 75 26656 1 . ARG 76 76 26656 1 . ARG 77 77 26656 1 . PRO 78 78 26656 1 . PRO 79 79 26656 1 . GLN 80 80 26656 1 . GLY 81 81 26656 1 . SER 82 82 26656 1 . GLN 83 83 26656 1 . THR 84 84 26656 1 . HIS 85 85 26656 1 . GLN 86 86 26656 1 . VAL 87 87 26656 1 . SER 88 88 26656 1 . LEU 89 89 26656 1 . SER 90 90 26656 1 . LYS 91 91 26656 1 . GLN 92 92 26656 1 . PRO 93 93 26656 1 . ALA 94 94 26656 1 . SER 95 95 26656 1 . GLN 96 96 26656 1 . PRO 97 97 26656 1 . ARG 98 98 26656 1 . GLY 99 99 26656 1 . ASP 100 100 26656 1 . PRO 101 101 26656 1 . THR 102 102 26656 1 . GLY 103 103 26656 1 . PRO 104 104 26656 1 . LYS 105 105 26656 1 . GLU 106 106 26656 1 . SER 107 107 26656 1 . LYS 108 108 26656 1 . LYS 109 109 26656 1 . LYS 110 110 26656 1 . VAL 111 111 26656 1 . GLU 112 112 26656 1 . ARG 113 113 26656 1 . GLU 114 114 26656 1 . THR 115 115 26656 1 . GLU 116 116 26656 1 . THR 117 117 26656 1 . ASP 118 118 26656 1 . PRO 119 119 26656 1 . VAL 120 120 26656 1 . ASP 121 121 26656 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 26656 _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 $Tat101 . 11676 organism . HIV-1 HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . 26656 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 26656 _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 $Tat101 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET28b . . . 26656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15NTat101 _Sample.Sf_category sample _Sample.Sf_framecode 13C15NTat101 _Sample.Entry_ID 26656 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Tat101 '[U-95% 13C; U-95% 15N]' . . 1 $Tat101 . . 0.5 . . mM . . . . 26656 1 2 DSS 'natural abundance' . . . . . . 75 . . uM . . . . 26656 1 3 'acetic acid' '[U-99% 2H]' . . . . . . 10 . . mM . . . . 26656 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 26656 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 26656 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample need to be degassed, purged with argon. NMR Tube need to be sealed with Teflon tape.' 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 4.0 . pH 26656 1 pressure 1 . atm 26656 1 temperature 273 . K 26656 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26656 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26656 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26656 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26656 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26656 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26656 2 'peak picking' 26656 2 processing 26656 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 26656 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26656 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26656 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26656 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26656 _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 INOVA . 600 . . . 26656 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 26656 _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 $13C15NTat101 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26656 1 2 '3D HNCO' no . . . . . . . . . . 1 $13C15NTat101 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26656 1 3 '3D HNCA' no . . . . . . . . . . 1 $13C15NTat101 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26656 1 4 '3D HNHA' no . . . . . . . . . . 1 $13C15NTat101 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26656 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15NTat101 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26656 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $13C15NTat101 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26656 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 26656 _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 . . . . . 26656 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26656 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26656 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 26656 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 26656 _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' . . . 26656 1 2 '3D HNCO' . . . 26656 1 3 '3D HNCA' . . . 26656 1 4 '3D HNHA' . . . 26656 1 5 '3D CBCA(CO)NH' . . . 26656 1 6 '3D HN(CA)CO' . . . 26656 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 $NMRPipe . . 26656 1 2 $SPARKY . . 26656 1 3 $VNMR . . 26656 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 GLY C C 13 170.45 . . . . . . . 2 GLY CO . 26656 1 2 . 1 1 2 2 GLY CA C 13 43.6 . . . . . . . 2 GLY CA . 26656 1 3 . 1 1 3 3 SER H H 1 8.681 . . . . . . . 3 SER HN . 26656 1 4 . 1 1 3 3 SER HA H 1 4.524 . . . . . . . 3 SER HA . 26656 1 5 . 1 1 3 3 SER C C 13 174.65 . . . . . . . 3 SER CO . 26656 1 6 . 1 1 3 3 SER CA C 13 58.34 . . . . . . . 3 SER CA . 26656 1 7 . 1 1 3 3 SER CB C 13 64.22 . . . . . . . 3 SER CB . 26656 1 8 . 1 1 3 3 SER N N 15 115.6 . . . . . . . 3 SER N . 26656 1 9 . 1 1 4 4 SER H H 1 8.481 . . . . . . . 4 SER HN . 26656 1 10 . 1 1 4 4 SER HA H 1 4.396 . . . . . . . 4 SER HA . 26656 1 11 . 1 1 4 4 SER C C 13 174.55 . . . . . . . 4 SER CO . 26656 1 12 . 1 1 4 4 SER CA C 13 58.46 . . . . . . . 4 SER CA . 26656 1 13 . 1 1 4 4 SER CB C 13 64.04 . . . . . . . 4 SER CB . 26656 1 14 . 1 1 4 4 SER N N 15 117.9 . . . . . . . 4 SER N . 26656 1 15 . 1 1 5 5 HIS H H 1 8.556 . . . . . . . 5 HIS HN . 26656 1 16 . 1 1 5 5 HIS HA H 1 4.665 . . . . . . . 5 HIS HA . 26656 1 17 . 1 1 5 5 HIS C C 13 174.25 . . . . . . . 5 HIS CO . 26656 1 18 . 1 1 5 5 HIS CA C 13 55.33 . . . . . . . 5 HIS CA . 26656 1 19 . 1 1 5 5 HIS CB C 13 29.02 . . . . . . . 5 HIS CB . 26656 1 20 . 1 1 5 5 HIS N N 15 120 . . . . . . . 5 HIS N . 26656 1 21 . 1 1 6 6 HIS H H 1 8.54 . . . . . . . 6 HIS HN . 26656 1 22 . 1 1 6 6 HIS HA H 1 4.651 . . . . . . . 6 HIS HA . 26656 1 23 . 1 1 6 6 HIS C C 13 174.25 . . . . . . . 6 HIS CO . 26656 1 24 . 1 1 6 6 HIS CA C 13 55.32 . . . . . . . 6 HIS CA . 26656 1 25 . 1 1 6 6 HIS CB C 13 29.3 . . . . . . . 6 HIS CB . 26656 1 26 . 1 1 6 6 HIS N N 15 119.2 . . . . . . . 6 HIS N . 26656 1 27 . 1 1 7 7 HIS H H 1 8.716 . . . . . . . 7 HIS HN . 26656 1 28 . 1 1 7 7 HIS HA H 1 4.666 . . . . . . . 7 HIS HA . 26656 1 29 . 1 1 7 7 HIS C C 13 174.25 . . . . . . . 7 HIS CO . 26656 1 30 . 1 1 7 7 HIS CA C 13 55.39 . . . . . . . 7 HIS CA . 26656 1 31 . 1 1 7 7 HIS CB C 13 29.4 . . . . . . . 7 HIS CB . 26656 1 32 . 1 1 7 7 HIS N N 15 120 . . . . . . . 7 HIS N . 26656 1 33 . 1 1 8 8 HIS H H 1 8.784 . . . . . . . 8 HIS HN . 26656 1 34 . 1 1 8 8 HIS HA H 1 4.669 . . . . . . . 8 HIS HA . 26656 1 35 . 1 1 8 8 HIS C C 13 174.25 . . . . . . . 8 HIS CO . 26656 1 36 . 1 1 8 8 HIS CA C 13 55.46 . . . . . . . 8 HIS CA . 26656 1 37 . 1 1 8 8 HIS CB C 13 29.49 . . . . . . . 8 HIS CB . 26656 1 38 . 1 1 8 8 HIS N N 15 120.4 . . . . . . . 8 HIS N . 26656 1 39 . 1 1 9 9 HIS H H 1 8.792 . . . . . . . 9 HIS HN . 26656 1 40 . 1 1 9 9 HIS HA H 1 4.661 . . . . . . . 9 HIS HA . 26656 1 41 . 1 1 9 9 HIS C C 13 174.25 . . . . . . . 9 HIS CO . 26656 1 42 . 1 1 9 9 HIS CA C 13 55.65 . . . . . . . 9 HIS CA . 26656 1 43 . 1 1 9 9 HIS CB C 13 29.48 . . . . . . . 9 HIS CB . 26656 1 44 . 1 1 9 9 HIS N N 15 120.9 . . . . . . . 9 HIS N . 26656 1 45 . 1 1 10 10 HIS H H 1 8.769 . . . . . . . 10 HIS HN . 26656 1 46 . 1 1 10 10 HIS HA H 1 4.72 . . . . . . . 10 HIS HA . 26656 1 47 . 1 1 10 10 HIS C C 13 174.25 . . . . . . . 10 HIS CO . 26656 1 48 . 1 1 10 10 HIS CA C 13 55.52 . . . . . . . 10 HIS CA . 26656 1 49 . 1 1 10 10 HIS CB C 13 29.53 . . . . . . . 10 HIS CB . 26656 1 50 . 1 1 10 10 HIS N N 15 121.5 . . . . . . . 10 HIS N . 26656 1 51 . 1 1 11 11 SER H H 1 8.564 . . . . . . . 11 SER HN . 26656 1 52 . 1 1 11 11 SER HA H 1 4.497 . . . . . . . 11 SER HA . 26656 1 53 . 1 1 11 11 SER C C 13 174.55 . . . . . . . 11 SER CO . 26656 1 54 . 1 1 11 11 SER CA C 13 58.43 . . . . . . . 11 SER CA . 26656 1 55 . 1 1 11 11 SER CB C 13 64.14 . . . . . . . 11 SER CB . 26656 1 56 . 1 1 11 11 SER N N 15 118.7 . . . . . . . 11 SER N . 26656 1 57 . 1 1 12 12 SER H H 1 8.563 . . . . . . . 12 SER HN . 26656 1 58 . 1 1 12 12 SER HA H 1 4.49 . . . . . . . 12 SER HA . 26656 1 59 . 1 1 12 12 SER C C 13 174.95 . . . . . . . 12 SER CO . 26656 1 60 . 1 1 12 12 SER CA C 13 58.73 . . . . . . . 12 SER CA . 26656 1 61 . 1 1 12 12 SER CB C 13 64.16 . . . . . . . 12 SER CB . 26656 1 62 . 1 1 12 12 SER N N 15 118.4 . . . . . . . 12 SER N . 26656 1 63 . 1 1 13 13 GLY H H 1 8.424 . . . . . . . 13 GLY HN . 26656 1 64 . 1 1 13 13 GLY HA2 H 1 3.958 . . . . . . . 13 GLY HA . 26656 1 65 . 1 1 13 13 GLY HA3 H 1 3.958 . . . . . . . 13 GLY HA . 26656 1 66 . 1 1 13 13 GLY C C 13 173.85 . . . . . . . 13 GLY CO . 26656 1 67 . 1 1 13 13 GLY CA C 13 45.4 . . . . . . . 13 GLY CA . 26656 1 68 . 1 1 13 13 GLY N N 15 110.6 . . . . . . . 13 GLY N . 26656 1 69 . 1 1 14 14 LEU H H 1 8.115 . . . . . . . 14 LEU HN . 26656 1 70 . 1 1 14 14 LEU HA H 1 4.365 . . . . . . . 14 LEU HA . 26656 1 71 . 1 1 14 14 LEU C C 13 177.25 . . . . . . . 14 LEU CO . 26656 1 72 . 1 1 14 14 LEU CA C 13 55.26 . . . . . . . 14 LEU CA . 26656 1 73 . 1 1 14 14 LEU CB C 13 42.59 . . . . . . . 14 LEU CB . 26656 1 74 . 1 1 14 14 LEU N N 15 121.8 . . . . . . . 14 LEU N . 26656 1 75 . 1 1 15 15 VAL H H 1 8.188 . . . . . . . 15 VAL HN . 26656 1 76 . 1 1 15 15 VAL HA H 1 4.404 . . . . . . . 15 VAL HA . 26656 1 77 . 1 1 15 15 VAL C C 13 174.55 . . . . . . . 15 VAL CO . 26656 1 78 . 1 1 15 15 VAL CA C 13 59.99 . . . . . . . 15 VAL CA . 26656 1 79 . 1 1 15 15 VAL N N 15 123.2 . . . . . . . 15 VAL N . 26656 1 80 . 1 1 16 16 PRO C C 13 177.05 . . . . . . . 16 PRO CO . 26656 1 81 . 1 1 16 16 PRO CA C 13 63.25 . . . . . . . 16 PRO CA . 26656 1 82 . 1 1 16 16 PRO CB C 13 32.26 . . . . . . . 16 PRO CB . 26656 1 83 . 1 1 17 17 ARG H H 1 8.49 . . . . . . . 17 ARG HN . 26656 1 84 . 1 1 17 17 ARG HA H 1 4.317 . . . . . . . 17 ARG HA . 26656 1 85 . 1 1 17 17 ARG C C 13 177.15 . . . . . . . 17 ARG CO . 26656 1 86 . 1 1 17 17 ARG CA C 13 56.59 . . . . . . . 17 ARG CA . 26656 1 87 . 1 1 17 17 ARG CB C 13 31.05 . . . . . . . 17 ARG CB . 26656 1 88 . 1 1 17 17 ARG N N 15 122.1 . . . . . . . 17 ARG N . 26656 1 89 . 1 1 18 18 GLY H H 1 8.481 . . . . . . . 18 GLY HN . 26656 1 90 . 1 1 18 18 GLY HA2 H 1 3.982 . . . . . . . 18 GLY HA . 26656 1 91 . 1 1 18 18 GLY HA3 H 1 3.982 . . . . . . . 18 GLY HA . 26656 1 92 . 1 1 18 18 GLY C C 13 174.25 . . . . . . . 18 GLY CO . 26656 1 93 . 1 1 18 18 GLY CA C 13 45.41 . . . . . . . 18 GLY CA . 26656 1 94 . 1 1 18 18 GLY N N 15 110.4 . . . . . . . 18 GLY N . 26656 1 95 . 1 1 19 19 SER H H 1 8.208 . . . . . . . 19 SER HN . 26656 1 96 . 1 1 19 19 SER HA H 1 4.413 . . . . . . . 19 SER HA . 26656 1 97 . 1 1 19 19 SER C C 13 174.45 . . . . . . . 19 SER CO . 26656 1 98 . 1 1 19 19 SER CA C 13 58.54 . . . . . . . 19 SER CA . 26656 1 99 . 1 1 19 19 SER CB C 13 64.13 . . . . . . . 19 SER CB . 26656 1 100 . 1 1 19 19 SER N N 15 115.5 . . . . . . . 19 SER N . 26656 1 101 . 1 1 20 20 HIS H H 1 8.599 . . . . . . . 20 HIS HN . 26656 1 102 . 1 1 20 20 HIS HA H 1 4.716 . . . . . . . 20 HIS HA . 26656 1 103 . 1 1 20 20 HIS C C 13 174.15 . . . . . . . 20 HIS CO . 26656 1 104 . 1 1 20 20 HIS CA C 13 55.51 . . . . . . . 20 HIS CA . 26656 1 105 . 1 1 20 20 HIS CB C 13 29.06 . . . . . . . 20 HIS CB . 26656 1 106 . 1 1 20 20 HIS N N 15 120.2 . . . . . . . 20 HIS N . 26656 1 107 . 1 1 21 21 MET H H 1 8.391 . . . . . . . 21 MET HN . 26656 1 108 . 1 1 21 21 MET HA H 1 4.319 . . . . . . . 21 MET HA . 26656 1 109 . 1 1 21 21 MET C C 13 175.85 . . . . . . . 21 MET CO . 26656 1 110 . 1 1 21 21 MET CA C 13 55.49 . . . . . . . 21 MET CA . 26656 1 111 . 1 1 21 21 MET CB C 13 33.19 . . . . . . . 21 MET CB . 26656 1 112 . 1 1 21 21 MET N N 15 121.8 . . . . . . . 21 MET N . 26656 1 113 . 1 1 22 22 GLU H H 1 8.475 . . . . . . . 22 GLU HN . 26656 1 114 . 1 1 22 22 GLU HA H 1 4.635 . . . . . . . 22 GLU HA . 26656 1 115 . 1 1 22 22 GLU CA C 13 54.23 . . . . . . . 22 GLU CA . 26656 1 116 . 1 1 22 22 GLU N N 15 123.5 . . . . . . . 22 GLU N . 26656 1 117 . 1 1 23 23 PRO C C 13 176.75 . . . . . . . 23 PRO CO . 26656 1 118 . 1 1 23 23 PRO CA C 13 63.16 . . . . . . . 23 PRO CA . 26656 1 119 . 1 1 23 23 PRO CB C 13 32.24 . . . . . . . 23 PRO CB . 26656 1 120 . 1 1 24 24 VAL H H 1 8.182 . . . . . . . 24 VAL HN . 26656 1 121 . 1 1 24 24 VAL HA H 1 4.03 . . . . . . . 24 VAL HA . 26656 1 122 . 1 1 24 24 VAL C C 13 175.75 . . . . . . . 24 VAL CO . 26656 1 123 . 1 1 24 24 VAL CA C 13 62.13 . . . . . . . 24 VAL CA . 26656 1 124 . 1 1 24 24 VAL CB C 13 33.16 . . . . . . . 24 VAL CB . 26656 1 125 . 1 1 24 24 VAL N N 15 120.5 . . . . . . . 24 VAL N . 26656 1 126 . 1 1 25 25 ASP H H 1 8.387 . . . . . . . 25 ASP HN . 26656 1 127 . 1 1 25 25 ASP HA H 1 4.854 . . . . . . . 25 ASP HA . 26656 1 128 . 1 1 25 25 ASP C C 13 175.25 . . . . . . . 25 ASP CO . 26656 1 129 . 1 1 25 25 ASP CA C 13 51.79 . . . . . . . 25 ASP CA . 26656 1 130 . 1 1 25 25 ASP N N 15 125.9 . . . . . . . 25 ASP N . 26656 1 131 . 1 1 26 26 PRO C C 13 177.65 . . . . . . . 26 PRO CO . 26656 1 132 . 1 1 26 26 PRO CA C 13 64.01 . . . . . . . 26 PRO CA . 26656 1 133 . 1 1 26 26 PRO CB C 13 32.3 . . . . . . . 26 PRO CB . 26656 1 134 . 1 1 27 27 ARG H H 1 8.377 . . . . . . . 27 ARG HN . 26656 1 135 . 1 1 27 27 ARG HA H 1 4.143 . . . . . . . 27 ARG HA . 26656 1 136 . 1 1 27 27 ARG C C 13 176.95 . . . . . . . 27 ARG CO . 26656 1 137 . 1 1 27 27 ARG CA C 13 57.17 . . . . . . . 27 ARG CA . 26656 1 138 . 1 1 27 27 ARG CB C 13 30.33 . . . . . . . 27 ARG CB . 26656 1 139 . 1 1 27 27 ARG N N 15 118.8 . . . . . . . 27 ARG N . 26656 1 140 . 1 1 28 28 LEU H H 1 7.87 . . . . . . . 28 LEU HN . 26656 1 141 . 1 1 28 28 LEU HA H 1 4.287 . . . . . . . 28 LEU HA . 26656 1 142 . 1 1 28 28 LEU C C 13 177.05 . . . . . . . 28 LEU CO . 26656 1 143 . 1 1 28 28 LEU CA C 13 55.08 . . . . . . . 28 LEU CA . 26656 1 144 . 1 1 28 28 LEU CB C 13 42.32 . . . . . . . 28 LEU CB . 26656 1 145 . 1 1 28 28 LEU N N 15 120.2 . . . . . . . 28 LEU N . 26656 1 146 . 1 1 29 29 GLU H H 1 7.94 . . . . . . . 29 GLU HN . 26656 1 147 . 1 1 29 29 GLU HA H 1 4.208 . . . . . . . 29 GLU HA . 26656 1 148 . 1 1 29 29 GLU C C 13 174.45 . . . . . . . 29 GLU CO . 26656 1 149 . 1 1 29 29 GLU CA C 13 54.07 . . . . . . . 29 GLU CA . 26656 1 150 . 1 1 29 29 GLU N N 15 120.4 . . . . . . . 29 GLU N . 26656 1 151 . 1 1 30 30 PRO C C 13 176.85 . . . . . . . 30 PRO CO . 26656 1 152 . 1 1 30 30 PRO CA C 13 64.27 . . . . . . . 30 PRO CA . 26656 1 153 . 1 1 30 30 PRO CB C 13 31.81 . . . . . . . 30 PRO CB . 26656 1 154 . 1 1 31 31 TRP H H 1 7.45 . . . . . . . 31 TRP HN . 26656 1 155 . 1 1 31 31 TRP HA H 1 4.605 . . . . . . . 31 TRP HA . 26656 1 156 . 1 1 31 31 TRP C C 13 176.35 . . . . . . . 31 TRP CO . 26656 1 157 . 1 1 31 31 TRP CA C 13 57.47 . . . . . . . 31 TRP CA . 26656 1 158 . 1 1 31 31 TRP CB C 13 28.77 . . . . . . . 31 TRP CB . 26656 1 159 . 1 1 31 31 TRP N N 15 117.6 . . . . . . . 31 TRP N . 26656 1 160 . 1 1 32 32 LYS H H 1 7.609 . . . . . . . 32 LYS HN . 26656 1 161 . 1 1 32 32 LYS HA H 1 4.167 . . . . . . . 32 LYS HA . 26656 1 162 . 1 1 32 32 LYS C C 13 175.75 . . . . . . . 32 LYS CO . 26656 1 163 . 1 1 32 32 LYS CA C 13 56.29 . . . . . . . 32 LYS CA . 26656 1 164 . 1 1 32 32 LYS CB C 13 33.14 . . . . . . . 32 LYS CB . 26656 1 165 . 1 1 32 32 LYS N N 15 122.3 . . . . . . . 32 LYS N . 26656 1 166 . 1 1 33 33 HIS H H 1 8.096 . . . . . . . 33 HIS HN . 26656 1 167 . 1 1 33 33 HIS HA H 1 4.861 . . . . . . . 33 HIS HA . 26656 1 168 . 1 1 33 33 HIS C C 13 172.35 . . . . . . . 33 HIS CO . 26656 1 169 . 1 1 33 33 HIS CA C 13 53.32 . . . . . . . 33 HIS CA . 26656 1 170 . 1 1 33 33 HIS N N 15 119.2 . . . . . . . 33 HIS N . 26656 1 171 . 1 1 34 34 PRO C C 13 177.75 . . . . . . . 34 PRO CO . 26656 1 172 . 1 1 34 34 PRO CA C 13 63.76 . . . . . . . 34 PRO CA . 26656 1 173 . 1 1 34 34 PRO CB C 13 32.27 . . . . . . . 34 PRO CB . 26656 1 174 . 1 1 35 35 GLY H H 1 8.601 . . . . . . . 35 GLY HN . 26656 1 175 . 1 1 35 35 GLY HA2 H 1 4.012 . . . . . . . 35 GLY HA . 26656 1 176 . 1 1 35 35 GLY HA3 H 1 4.012 . . . . . . . 35 GLY HA . 26656 1 177 . 1 1 35 35 GLY C C 13 174.35 . . . . . . . 35 GLY CO . 26656 1 178 . 1 1 35 35 GLY CA C 13 45.42 . . . . . . . 35 GLY CA . 26656 1 179 . 1 1 35 35 GLY N N 15 109.8 . . . . . . . 35 GLY N . 26656 1 180 . 1 1 36 36 SER H H 1 8.186 . . . . . . . 36 SER HN . 26656 1 181 . 1 1 36 36 SER HA H 1 4.467 . . . . . . . 36 SER HA . 26656 1 182 . 1 1 36 36 SER C C 13 174.35 . . . . . . . 36 SER CO . 26656 1 183 . 1 1 36 36 SER CA C 13 58.4 . . . . . . . 36 SER CA . 26656 1 184 . 1 1 36 36 SER CB C 13 64.17 . . . . . . . 36 SER CB . 26656 1 185 . 1 1 36 36 SER N N 15 115.4 . . . . . . . 36 SER N . 26656 1 186 . 1 1 37 37 GLN H H 1 8.426 . . . . . . . 37 GLN HN . 26656 1 187 . 1 1 37 37 GLN HA H 1 4.611 . . . . . . . 37 GLN HA . 26656 1 188 . 1 1 37 37 GLN C C 13 174.05 . . . . . . . 37 GLN CO . 26656 1 189 . 1 1 37 37 GLN CA C 13 53.95 . . . . . . . 37 GLN CA . 26656 1 190 . 1 1 37 37 GLN N N 15 123 . . . . . . . 37 GLN N . 26656 1 191 . 1 1 39 39 LYS H H 1 8.52 . . . . . . . 39 LYS HN . 26656 1 192 . 1 1 39 39 LYS HA H 1 4.341 . . . . . . . 39 LYS HA . 26656 1 193 . 1 1 39 39 LYS C C 13 177.05 . . . . . . . 39 LYS CO . 26656 1 194 . 1 1 39 39 LYS CA C 13 56.7 . . . . . . . 39 LYS CA . 26656 1 195 . 1 1 39 39 LYS CB C 13 33.13 . . . . . . . 39 LYS CB . 26656 1 196 . 1 1 39 39 LYS N N 15 121.9 . . . . . . . 39 LYS N . 26656 1 197 . 1 1 40 40 THR H H 1 8.068 . . . . . . . 40 THR HN . 26656 1 198 . 1 1 40 40 THR HA H 1 4.309 . . . . . . . 40 THR HA . 26656 1 199 . 1 1 40 40 THR C C 13 174.25 . . . . . . . 40 THR CO . 26656 1 200 . 1 1 40 40 THR CA C 13 61.81 . . . . . . . 40 THR CA . 26656 1 201 . 1 1 40 40 THR CB C 13 70.19 . . . . . . . 40 THR CB . 26656 1 202 . 1 1 40 40 THR N N 15 115 . . . . . . . 40 THR N . 26656 1 203 . 1 1 41 41 ALA H H 1 8.36 . . . . . . . 41 ALA HN . 26656 1 204 . 1 1 41 41 ALA HA H 1 4.363 . . . . . . . 41 ALA HA . 26656 1 205 . 1 1 41 41 ALA C C 13 177.65 . . . . . . . 41 ALA CO . 26656 1 206 . 1 1 41 41 ALA CA C 13 52.72 . . . . . . . 41 ALA CA . 26656 1 207 . 1 1 41 41 ALA CB C 13 19.52 . . . . . . . 41 ALA CB . 26656 1 208 . 1 1 41 41 ALA N N 15 126.4 . . . . . . . 41 ALA N . 26656 1 209 . 1 1 42 42 CYS H H 1 8.39 . . . . . . . 42 CYS HN . 26656 1 210 . 1 1 42 42 CYS HA H 1 4.559 . . . . . . . 42 CYS HA . 26656 1 211 . 1 1 42 42 CYS C C 13 175.05 . . . . . . . 42 CYS CO . 26656 1 212 . 1 1 42 42 CYS CA C 13 58.72 . . . . . . . 42 CYS CA . 26656 1 213 . 1 1 42 42 CYS CB C 13 28.17 . . . . . . . 42 CYS CB . 26656 1 214 . 1 1 42 42 CYS N N 15 118.9 . . . . . . . 42 CYS N . 26656 1 215 . 1 1 43 43 THR H H 1 8.264 . . . . . . . 43 THR HN . 26656 1 216 . 1 1 43 43 THR HA H 1 4.356 . . . . . . . 43 THR HA . 26656 1 217 . 1 1 43 43 THR C C 13 174.45 . . . . . . . 43 THR CO . 26656 1 218 . 1 1 43 43 THR CA C 13 62.18 . . . . . . . 43 THR CA . 26656 1 219 . 1 1 43 43 THR CB C 13 69.93 . . . . . . . 43 THR CB . 26656 1 220 . 1 1 43 43 THR N N 15 116.4 . . . . . . . 43 THR N . 26656 1 221 . 1 1 44 44 ASN H H 1 8.408 . . . . . . . 44 ASN HN . 26656 1 222 . 1 1 44 44 ASN HA H 1 4.712 . . . . . . . 44 ASN HA . 26656 1 223 . 1 1 44 44 ASN C C 13 175.15 . . . . . . . 44 ASN CO . 26656 1 224 . 1 1 44 44 ASN CA C 13 53.53 . . . . . . . 44 ASN CA . 26656 1 225 . 1 1 44 44 ASN CB C 13 39.03 . . . . . . . 44 ASN CB . 26656 1 226 . 1 1 44 44 ASN N N 15 121 . . . . . . . 44 ASN N . 26656 1 227 . 1 1 45 45 CYS H H 1 8.231 . . . . . . . 45 CYS HN . 26656 1 228 . 1 1 45 45 CYS HA H 1 4.44 . . . . . . . 45 CYS HA . 26656 1 229 . 1 1 45 45 CYS C C 13 174.35 . . . . . . . 45 CYS CO . 26656 1 230 . 1 1 45 45 CYS CA C 13 58.77 . . . . . . . 45 CYS CA . 26656 1 231 . 1 1 45 45 CYS CB C 13 28.13 . . . . . . . 45 CYS CB . 26656 1 232 . 1 1 45 45 CYS N N 15 119.2 . . . . . . . 45 CYS N . 26656 1 233 . 1 1 46 46 TYR H H 1 8.276 . . . . . . . 46 TYR HN . 26656 1 234 . 1 1 46 46 TYR HA H 1 4.585 . . . . . . . 46 TYR HA . 26656 1 235 . 1 1 46 46 TYR C C 13 175.65 . . . . . . . 46 TYR CO . 26656 1 236 . 1 1 46 46 TYR CA C 13 58.25 . . . . . . . 46 TYR CA . 26656 1 237 . 1 1 46 46 TYR CB C 13 38.73 . . . . . . . 46 TYR CB . 26656 1 238 . 1 1 46 46 TYR N N 15 122.6 . . . . . . . 46 TYR N . 26656 1 239 . 1 1 47 47 CYS H H 1 8.109 . . . . . . . 47 CYS HN . 26656 1 240 . 1 1 47 47 CYS HA H 1 4.435 . . . . . . . 47 CYS HA . 26656 1 241 . 1 1 47 47 CYS C C 13 174.25 . . . . . . . 47 CYS CO . 26656 1 242 . 1 1 47 47 CYS CA C 13 58.52 . . . . . . . 47 CYS CA . 26656 1 243 . 1 1 47 47 CYS CB C 13 28.26 . . . . . . . 47 CYS CB . 26656 1 244 . 1 1 47 47 CYS N N 15 121.1 . . . . . . . 47 CYS N . 26656 1 245 . 1 1 48 48 LYS H H 1 8.317 . . . . . . . 48 LYS HN . 26656 1 246 . 1 1 48 48 LYS HA H 1 4.252 . . . . . . . 48 LYS HA . 26656 1 247 . 1 1 48 48 LYS C C 13 176.55 . . . . . . . 48 LYS CO . 26656 1 248 . 1 1 48 48 LYS CA C 13 56.84 . . . . . . . 48 LYS CA . 26656 1 249 . 1 1 48 48 LYS CB C 13 33.37 . . . . . . . 48 LYS CB . 26656 1 250 . 1 1 48 48 LYS N N 15 124.3 . . . . . . . 48 LYS N . 26656 1 251 . 1 1 49 49 LYS H H 1 8.351 . . . . . . . 49 LYS HN . 26656 1 252 . 1 1 49 49 LYS HA H 1 4.312 . . . . . . . 49 LYS HA . 26656 1 253 . 1 1 49 49 LYS C C 13 176.55 . . . . . . . 49 LYS CO . 26656 1 254 . 1 1 49 49 LYS CA C 13 56.65 . . . . . . . 49 LYS CA . 26656 1 255 . 1 1 49 49 LYS CB C 13 33.26 . . . . . . . 49 LYS CB . 26656 1 256 . 1 1 49 49 LYS N N 15 123.5 . . . . . . . 49 LYS N . 26656 1 257 . 1 1 50 50 CYS H H 1 8.378 . . . . . . . 50 CYS HN . 26656 1 258 . 1 1 50 50 CYS HA H 1 4.457 . . . . . . . 50 CYS HA . 26656 1 259 . 1 1 50 50 CYS C C 13 174.45 . . . . . . . 50 CYS CO . 26656 1 260 . 1 1 50 50 CYS CA C 13 58.66 . . . . . . . 50 CYS CA . 26656 1 261 . 1 1 50 50 CYS CB C 13 28.25 . . . . . . . 50 CYS CB . 26656 1 262 . 1 1 50 50 CYS N N 15 120.6 . . . . . . . 50 CYS N . 26656 1 263 . 1 1 51 51 CYS H H 1 8.369 . . . . . . . 51 CYS HN . 26656 1 264 . 1 1 51 51 CYS HA H 1 4.466 . . . . . . . 51 CYS HA . 26656 1 265 . 1 1 51 51 CYS C C 13 174.05 . . . . . . . 51 CYS CO . 26656 1 266 . 1 1 51 51 CYS CA C 13 58.57 . . . . . . . 51 CYS CA . 26656 1 267 . 1 1 51 51 CYS CB C 13 28.23 . . . . . . . 51 CYS CB . 26656 1 268 . 1 1 51 51 CYS N N 15 121.7 . . . . . . . 51 CYS N . 26656 1 269 . 1 1 52 52 PHE H H 1 8.259 . . . . . . . 52 PHE HN . 26656 1 270 . 1 1 52 52 PHE HA H 1 4.598 . . . . . . . 52 PHE HA . 26656 1 271 . 1 1 52 52 PHE C C 13 175.45 . . . . . . . 52 PHE CO . 26656 1 272 . 1 1 52 52 PHE CA C 13 57.94 . . . . . . . 52 PHE CA . 26656 1 273 . 1 1 52 52 PHE CB C 13 39.96 . . . . . . . 52 PHE CB . 26656 1 274 . 1 1 52 52 PHE N N 15 122.8 . . . . . . . 52 PHE N . 26656 1 275 . 1 1 53 53 HIS H H 1 8.453 . . . . . . . 53 HIS HN . 26656 1 276 . 1 1 53 53 HIS HA H 1 4.642 . . . . . . . 53 HIS HA . 26656 1 277 . 1 1 53 53 HIS C C 13 173.85 . . . . . . . 53 HIS CO . 26656 1 278 . 1 1 53 53 HIS CA C 13 55.28 . . . . . . . 53 HIS CA . 26656 1 279 . 1 1 53 53 HIS CB C 13 29.27 . . . . . . . 53 HIS CB . 26656 1 280 . 1 1 53 53 HIS N N 15 120.8 . . . . . . . 53 HIS N . 26656 1 281 . 1 1 54 54 CYS H H 1 8.349 . . . . . . . 54 CYS HN . 26656 1 282 . 1 1 54 54 CYS HA H 1 4.424 . . . . . . . 54 CYS HA . 26656 1 283 . 1 1 54 54 CYS C C 13 174.35 . . . . . . . 54 CYS CO . 26656 1 284 . 1 1 54 54 CYS CA C 13 58.65 . . . . . . . 54 CYS CA . 26656 1 285 . 1 1 54 54 CYS CB C 13 28.29 . . . . . . . 54 CYS CB . 26656 1 286 . 1 1 54 54 CYS N N 15 120.6 . . . . . . . 54 CYS N . 26656 1 287 . 1 1 55 55 GLN H H 1 8.576 . . . . . . . 55 GLN HN . 26656 1 288 . 1 1 55 55 GLN HA H 1 4.32 . . . . . . . 55 GLN HA . 26656 1 289 . 1 1 55 55 GLN C C 13 175.95 . . . . . . . 55 GLN CO . 26656 1 290 . 1 1 55 55 GLN CA C 13 56.21 . . . . . . . 55 GLN CA . 26656 1 291 . 1 1 55 55 GLN CB C 13 29.74 . . . . . . . 55 GLN CB . 26656 1 292 . 1 1 55 55 GLN N N 15 123.3 . . . . . . . 55 GLN N . 26656 1 293 . 1 1 56 56 VAL H H 1 8.224 . . . . . . . 56 VAL HN . 26656 1 294 . 1 1 56 56 VAL HA H 1 4.08 . . . . . . . 56 VAL HA . 26656 1 295 . 1 1 56 56 VAL C C 13 175.85 . . . . . . . 56 VAL CO . 26656 1 296 . 1 1 56 56 VAL CA C 13 62.66 . . . . . . . 56 VAL CA . 26656 1 297 . 1 1 56 56 VAL CB C 13 33.13 . . . . . . . 56 VAL CB . 26656 1 298 . 1 1 56 56 VAL N N 15 121.9 . . . . . . . 56 VAL N . 26656 1 299 . 1 1 57 57 CYS H H 1 8.327 . . . . . . . 57 CYS HN . 26656 1 300 . 1 1 57 57 CYS HA H 1 4.461 . . . . . . . 57 CYS HA . 26656 1 301 . 1 1 57 57 CYS C C 13 174.15 . . . . . . . 57 CYS CO . 26656 1 302 . 1 1 57 57 CYS CA C 13 58.47 . . . . . . . 57 CYS CA . 26656 1 303 . 1 1 57 57 CYS CB C 13 28.33 . . . . . . . 57 CYS CB . 26656 1 304 . 1 1 57 57 CYS N N 15 122.9 . . . . . . . 57 CYS N . 26656 1 305 . 1 1 58 58 PHE H H 1 8.348 . . . . . . . 58 PHE HN . 26656 1 306 . 1 1 58 58 PHE HA H 1 4.679 . . . . . . . 58 PHE HA . 26656 1 307 . 1 1 58 58 PHE C C 13 175.55 . . . . . . . 58 PHE CO . 26656 1 308 . 1 1 58 58 PHE CA C 13 57.91 . . . . . . . 58 PHE CA . 26656 1 309 . 1 1 58 58 PHE CB C 13 39.85 . . . . . . . 58 PHE CB . 26656 1 310 . 1 1 58 58 PHE N N 15 123.5 . . . . . . . 58 PHE N . 26656 1 311 . 1 1 59 59 ILE H H 1 8.103 . . . . . . . 59 ILE HN . 26656 1 312 . 1 1 59 59 ILE HA H 1 4.193 . . . . . . . 59 ILE HA . 26656 1 313 . 1 1 59 59 ILE C C 13 176.15 . . . . . . . 59 ILE CO . 26656 1 314 . 1 1 59 59 ILE CA C 13 61.23 . . . . . . . 59 ILE CA . 26656 1 315 . 1 1 59 59 ILE CB C 13 39.03 . . . . . . . 59 ILE CB . 26656 1 316 . 1 1 59 59 ILE N N 15 122.9 . . . . . . . 59 ILE N . 26656 1 317 . 1 1 60 60 THR H H 1 8.156 . . . . . . . 60 THR HN . 26656 1 318 . 1 1 60 60 THR HA H 1 4.29 . . . . . . . 60 THR HA . 26656 1 319 . 1 1 60 60 THR C C 13 174.55 . . . . . . . 60 THR CO . 26656 1 320 . 1 1 60 60 THR CA C 13 62.15 . . . . . . . 60 THR CA . 26656 1 321 . 1 1 60 60 THR CB C 13 69.99 . . . . . . . 60 THR CB . 26656 1 322 . 1 1 60 60 THR N N 15 118.9 . . . . . . . 60 THR N . 26656 1 323 . 1 1 61 61 LYS H H 1 8.282 . . . . . . . 61 LYS HN . 26656 1 324 . 1 1 61 61 LYS HA H 1 4.273 . . . . . . . 61 LYS HA . 26656 1 325 . 1 1 61 61 LYS C C 13 176.25 . . . . . . . 61 LYS CO . 26656 1 326 . 1 1 61 61 LYS CA C 13 56.65 . . . . . . . 61 LYS CA . 26656 1 327 . 1 1 61 61 LYS CB C 13 33.24 . . . . . . . 61 LYS CB . 26656 1 328 . 1 1 61 61 LYS N N 15 124.2 . . . . . . . 61 LYS N . 26656 1 329 . 1 1 62 62 ALA H H 1 8.277 . . . . . . . 62 ALA HN . 26656 1 330 . 1 1 62 62 ALA HA H 1 4.28 . . . . . . . 62 ALA HA . 26656 1 331 . 1 1 62 62 ALA C C 13 177.75 . . . . . . . 62 ALA CO . 26656 1 332 . 1 1 62 62 ALA CA C 13 52.69 . . . . . . . 62 ALA CA . 26656 1 333 . 1 1 62 62 ALA CB C 13 19.29 . . . . . . . 62 ALA CB . 26656 1 334 . 1 1 62 62 ALA N N 15 125.2 . . . . . . . 62 ALA N . 26656 1 335 . 1 1 63 63 LEU H H 1 8.192 . . . . . . . 63 LEU HN . 26656 1 336 . 1 1 63 63 LEU HA H 1 4.306 . . . . . . . 63 LEU HA . 26656 1 337 . 1 1 63 63 LEU C C 13 178.15 . . . . . . . 63 LEU CO . 26656 1 338 . 1 1 63 63 LEU CA C 13 55.52 . . . . . . . 63 LEU CA . 26656 1 339 . 1 1 63 63 LEU CB C 13 42.72 . . . . . . . 63 LEU CB . 26656 1 340 . 1 1 63 63 LEU N N 15 121.5 . . . . . . . 63 LEU N . 26656 1 341 . 1 1 64 64 GLY H H 1 8.32 . . . . . . . 64 GLY HN . 26656 1 342 . 1 1 64 64 GLY HA2 H 1 3.931 . . . . . . . 64 GLY HA . 26656 1 343 . 1 1 64 64 GLY HA3 H 1 3.931 . . . . . . . 64 GLY HA . 26656 1 344 . 1 1 64 64 GLY C C 13 174.35 . . . . . . . 64 GLY CO . 26656 1 345 . 1 1 64 64 GLY CA C 13 45.56 . . . . . . . 64 GLY CA . 26656 1 346 . 1 1 64 64 GLY N N 15 109.1 . . . . . . . 64 GLY N . 26656 1 347 . 1 1 65 65 ILE H H 1 7.931 . . . . . . . 65 ILE HN . 26656 1 348 . 1 1 65 65 ILE HA H 1 4.141 . . . . . . . 65 ILE HA . 26656 1 349 . 1 1 65 65 ILE C C 13 176.45 . . . . . . . 65 ILE CO . 26656 1 350 . 1 1 65 65 ILE CA C 13 61.42 . . . . . . . 65 ILE CA . 26656 1 351 . 1 1 65 65 ILE CB C 13 39.1 . . . . . . . 65 ILE CB . 26656 1 352 . 1 1 65 65 ILE N N 15 119.9 . . . . . . . 65 ILE N . 26656 1 353 . 1 1 66 66 SER H H 1 8.299 . . . . . . . 66 SER HN . 26656 1 354 . 1 1 66 66 SER HA H 1 4.434 . . . . . . . 66 SER HA . 26656 1 355 . 1 1 66 66 SER C C 13 174.45 . . . . . . . 66 SER CO . 26656 1 356 . 1 1 66 66 SER CA C 13 58.28 . . . . . . . 66 SER CA . 26656 1 357 . 1 1 66 66 SER CB C 13 64.02 . . . . . . . 66 SER CB . 26656 1 358 . 1 1 66 66 SER N N 15 119.2 . . . . . . . 66 SER N . 26656 1 359 . 1 1 67 67 TYR H H 1 8.219 . . . . . . . 67 TYR HN . 26656 1 360 . 1 1 67 67 TYR HA H 1 4.537 . . . . . . . 67 TYR HA . 26656 1 361 . 1 1 67 67 TYR C C 13 176.55 . . . . . . . 67 TYR CO . 26656 1 362 . 1 1 67 67 TYR CA C 13 58.52 . . . . . . . 67 TYR CA . 26656 1 363 . 1 1 67 67 TYR CB C 13 39.03 . . . . . . . 67 TYR CB . 26656 1 364 . 1 1 67 67 TYR N N 15 122.7 . . . . . . . 67 TYR N . 26656 1 365 . 1 1 68 68 GLY H H 1 8.334 . . . . . . . 68 GLY HN . 26656 1 366 . 1 1 68 68 GLY HA2 H 1 3.894 . . . . . . . 68 GLY HA . 26656 1 367 . 1 1 68 68 GLY HA3 H 1 3.894 . . . . . . . 68 GLY HA . 26656 1 368 . 1 1 68 68 GLY C C 13 174.25 . . . . . . . 68 GLY CO . 26656 1 369 . 1 1 68 68 GLY CA C 13 45.65 . . . . . . . 68 GLY CA . 26656 1 370 . 1 1 68 68 GLY N N 15 110 . . . . . . . 68 GLY N . 26656 1 371 . 1 1 69 69 ARG H H 1 8.134 . . . . . . . 69 ARG HN . 26656 1 372 . 1 1 69 69 ARG HA H 1 4.296 . . . . . . . 69 ARG HA . 26656 1 373 . 1 1 69 69 ARG C C 13 176.65 . . . . . . . 69 ARG CO . 26656 1 374 . 1 1 69 69 ARG CA C 13 56.49 . . . . . . . 69 ARG CA . 26656 1 375 . 1 1 69 69 ARG CB C 13 31 . . . . . . . 69 ARG CB . 26656 1 376 . 1 1 69 69 ARG N N 15 120.6 . . . . . . . 69 ARG N . 26656 1 377 . 1 1 70 70 LYS H H 1 8.322 . . . . . . . 70 LYS HN . 26656 1 378 . 1 1 70 70 LYS HA H 1 4.28 . . . . . . . 70 LYS HA . 26656 1 379 . 1 1 70 70 LYS C C 13 176.65 . . . . . . . 70 LYS CO . 26656 1 380 . 1 1 70 70 LYS CA C 13 56.62 . . . . . . . 70 LYS CA . 26656 1 381 . 1 1 70 70 LYS CB C 13 33.17 . . . . . . . 70 LYS CB . 26656 1 382 . 1 1 70 70 LYS N N 15 122.8 . . . . . . . 70 LYS N . 26656 1 383 . 1 1 71 71 LYS H H 1 8.324 . . . . . . . 71 LYS HN . 26656 1 384 . 1 1 71 71 LYS HA H 1 4.274 . . . . . . . 71 LYS HA . 26656 1 385 . 1 1 71 71 LYS CA C 13 56.55 . . . . . . . 71 LYS CA . 26656 1 386 . 1 1 71 71 LYS N N 15 122.8 . . . . . . . 71 LYS N . 26656 1 387 . 1 1 73 73 ARG H H 1 8.498 . . . . . . . 73 ARG HN . 26656 1 388 . 1 1 73 73 ARG C C 13 176.25 . . . . . . . 73 ARG CO . 26656 1 389 . 1 1 73 73 ARG CA C 13 56.3 . . . . . . . 73 ARG CA . 26656 1 390 . 1 1 73 73 ARG CB C 13 31.03 . . . . . . . 73 ARG CB . 26656 1 391 . 1 1 73 73 ARG N N 15 123.3 . . . . . . . 73 ARG N . 26656 1 392 . 1 1 74 74 GLN H H 1 8.511 . . . . . . . 74 GLN HN . 26656 1 393 . 1 1 74 74 GLN HA H 1 4.337 . . . . . . . 74 GLN HA . 26656 1 394 . 1 1 74 74 GLN C C 13 175.85 . . . . . . . 74 GLN CO . 26656 1 395 . 1 1 74 74 GLN CA C 13 55.85 . . . . . . . 74 GLN CA . 26656 1 396 . 1 1 74 74 GLN CB C 13 30.04 . . . . . . . 74 GLN CB . 26656 1 397 . 1 1 74 74 GLN N N 15 122.6 . . . . . . . 74 GLN N . 26656 1 398 . 1 1 75 75 ARG H H 1 8.525 . . . . . . . 75 ARG HN . 26656 1 399 . 1 1 75 75 ARG HA H 1 4.32 . . . . . . . 75 ARG HA . 26656 1 400 . 1 1 75 75 ARG C C 13 176.25 . . . . . . . 75 ARG CO . 26656 1 401 . 1 1 75 75 ARG CA C 13 56.26 . . . . . . . 75 ARG CA . 26656 1 402 . 1 1 75 75 ARG CB C 13 31.21 . . . . . . . 75 ARG CB . 26656 1 403 . 1 1 75 75 ARG N N 15 123.6 . . . . . . . 75 ARG N . 26656 1 404 . 1 1 76 76 ARG H H 1 8.498 . . . . . . . 76 ARG HN . 26656 1 405 . 1 1 76 76 ARG C C 13 176.15 . . . . . . . 76 ARG CO . 26656 1 406 . 1 1 76 76 ARG CA C 13 56.15 . . . . . . . 76 ARG CA . 26656 1 407 . 1 1 76 76 ARG CB C 13 31.17 . . . . . . . 76 ARG CB . 26656 1 408 . 1 1 76 76 ARG N N 15 123.3 . . . . . . . 76 ARG N . 26656 1 409 . 1 1 77 77 ARG H H 1 8.513 . . . . . . . 77 ARG HN . 26656 1 410 . 1 1 77 77 ARG HA H 1 4.603 . . . . . . . 77 ARG HA . 26656 1 411 . 1 1 77 77 ARG C C 13 173.95 . . . . . . . 77 ARG CO . 26656 1 412 . 1 1 77 77 ARG CA C 13 54.17 . . . . . . . 77 ARG CA . 26656 1 413 . 1 1 77 77 ARG N N 15 124.5 . . . . . . . 77 ARG N . 26656 1 414 . 1 1 79 79 PRO C C 13 177.15 . . . . . . . 79 PRO CO . 26656 1 415 . 1 1 79 79 PRO CA C 13 63.18 . . . . . . . 79 PRO CA . 26656 1 416 . 1 1 79 79 PRO CB C 13 32.19 . . . . . . . 79 PRO CB . 26656 1 417 . 1 1 80 80 GLN H H 1 8.544 . . . . . . . 80 GLN HN . 26656 1 418 . 1 1 80 80 GLN HA H 1 4.324 . . . . . . . 80 GLN HA . 26656 1 419 . 1 1 80 80 GLN C C 13 176.75 . . . . . . . 80 GLN CO . 26656 1 420 . 1 1 80 80 GLN CA C 13 56.19 . . . . . . . 80 GLN CA . 26656 1 421 . 1 1 80 80 GLN CB C 13 29.94 . . . . . . . 80 GLN CB . 26656 1 422 . 1 1 80 80 GLN N N 15 121 . . . . . . . 80 GLN N . 26656 1 423 . 1 1 81 81 GLY H H 1 8.495 . . . . . . . 81 GLY HN . 26656 1 424 . 1 1 81 81 GLY HA2 H 1 4 . . . . . . . 81 GLY HA . 26656 1 425 . 1 1 81 81 GLY HA3 H 1 4 . . . . . . . 81 GLY HA . 26656 1 426 . 1 1 81 81 GLY C C 13 174.35 . . . . . . . 81 GLY CO . 26656 1 427 . 1 1 81 81 GLY CA C 13 45.44 . . . . . . . 81 GLY CA . 26656 1 428 . 1 1 81 81 GLY N N 15 110.5 . . . . . . . 81 GLY N . 26656 1 429 . 1 1 82 82 SER H H 1 8.288 . . . . . . . 82 SER HN . 26656 1 430 . 1 1 82 82 SER HA H 1 4.436 . . . . . . . 82 SER HA . 26656 1 431 . 1 1 82 82 SER C C 13 174.95 . . . . . . . 82 SER CO . 26656 1 432 . 1 1 82 82 SER CA C 13 58.73 . . . . . . . 82 SER CA . 26656 1 433 . 1 1 82 82 SER CB C 13 64.07 . . . . . . . 82 SER CB . 26656 1 434 . 1 1 82 82 SER N N 15 115.6 . . . . . . . 82 SER N . 26656 1 435 . 1 1 83 83 GLN H H 1 8.54 . . . . . . . 83 GLN HN . 26656 1 436 . 1 1 83 83 GLN HA H 1 4.401 . . . . . . . 83 GLN HA . 26656 1 437 . 1 1 83 83 GLN C C 13 176.35 . . . . . . . 83 GLN CO . 26656 1 438 . 1 1 83 83 GLN CA C 13 56.11 . . . . . . . 83 GLN CA . 26656 1 439 . 1 1 83 83 GLN CB C 13 29.54 . . . . . . . 83 GLN CB . 26656 1 440 . 1 1 83 83 GLN N N 15 122.2 . . . . . . . 83 GLN N . 26656 1 441 . 1 1 84 84 THR H H 1 8.128 . . . . . . . 84 THR HN . 26656 1 442 . 1 1 84 84 THR HA H 1 4.27 . . . . . . . 84 THR HA . 26656 1 443 . 1 1 84 84 THR C C 13 174.45 . . . . . . . 84 THR CO . 26656 1 444 . 1 1 84 84 THR CA C 13 62.18 . . . . . . . 84 THR CA . 26656 1 445 . 1 1 84 84 THR CB C 13 69.97 . . . . . . . 84 THR CB . 26656 1 446 . 1 1 84 84 THR N N 15 114.8 . . . . . . . 84 THR N . 26656 1 447 . 1 1 85 85 HIS H H 1 8.525 . . . . . . . 85 HIS HN . 26656 1 448 . 1 1 85 85 HIS HA H 1 4.717 . . . . . . . 85 HIS HA . 26656 1 449 . 1 1 85 85 HIS C C 13 174.15 . . . . . . . 85 HIS CO . 26656 1 450 . 1 1 85 85 HIS CA C 13 55.36 . . . . . . . 85 HIS CA . 26656 1 451 . 1 1 85 85 HIS CB C 13 29.11 . . . . . . . 85 HIS CB . 26656 1 452 . 1 1 85 85 HIS N N 15 120.6 . . . . . . . 85 HIS N . 26656 1 453 . 1 1 86 86 GLN H H 1 8.473 . . . . . . . 86 GLN HN . 26656 1 454 . 1 1 86 86 GLN HA H 1 4.362 . . . . . . . 86 GLN HA . 26656 1 455 . 1 1 86 86 GLN C C 13 175.95 . . . . . . . 86 GLN CO . 26656 1 456 . 1 1 86 86 GLN CA C 13 56.08 . . . . . . . 86 GLN CA . 26656 1 457 . 1 1 86 86 GLN CB C 13 29.73 . . . . . . . 86 GLN CB . 26656 1 458 . 1 1 86 86 GLN N N 15 122.5 . . . . . . . 86 GLN N . 26656 1 459 . 1 1 87 87 VAL H H 1 8.326 . . . . . . . 87 VAL HN . 26656 1 460 . 1 1 87 87 VAL HA H 1 4.136 . . . . . . . 87 VAL HA . 26656 1 461 . 1 1 87 87 VAL C C 13 176.15 . . . . . . . 87 VAL CO . 26656 1 462 . 1 1 87 87 VAL CA C 13 62.49 . . . . . . . 87 VAL CA . 26656 1 463 . 1 1 87 87 VAL CB C 13 33.13 . . . . . . . 87 VAL CB . 26656 1 464 . 1 1 87 87 VAL N N 15 122.2 . . . . . . . 87 VAL N . 26656 1 465 . 1 1 88 88 SER H H 1 8.426 . . . . . . . 88 SER HN . 26656 1 466 . 1 1 88 88 SER HA H 1 4.479 . . . . . . . 88 SER HA . 26656 1 467 . 1 1 88 88 SER C C 13 174.65 . . . . . . . 88 SER CO . 26656 1 468 . 1 1 88 88 SER CA C 13 58.21 . . . . . . . 88 SER CA . 26656 1 469 . 1 1 88 88 SER CB C 13 63.99 . . . . . . . 88 SER CB . 26656 1 470 . 1 1 88 88 SER N N 15 119.7 . . . . . . . 88 SER N . 26656 1 471 . 1 1 89 89 LEU H H 1 8.406 . . . . . . . 89 LEU HN . 26656 1 472 . 1 1 89 89 LEU HA H 1 4.396 . . . . . . . 89 LEU HA . 26656 1 473 . 1 1 89 89 LEU C C 13 177.55 . . . . . . . 89 LEU CO . 26656 1 474 . 1 1 89 89 LEU CA C 13 55.4 . . . . . . . 89 LEU CA . 26656 1 475 . 1 1 89 89 LEU CB C 13 42.53 . . . . . . . 89 LEU CB . 26656 1 476 . 1 1 89 89 LEU N N 15 125.1 . . . . . . . 89 LEU N . 26656 1 477 . 1 1 90 90 SER H H 1 8.269 . . . . . . . 90 SER HN . 26656 1 478 . 1 1 90 90 SER HA H 1 4.407 . . . . . . . 90 SER HA . 26656 1 479 . 1 1 90 90 SER C C 13 174.55 . . . . . . . 90 SER CO . 26656 1 480 . 1 1 90 90 SER CA C 13 58.56 . . . . . . . 90 SER CA . 26656 1 481 . 1 1 90 90 SER CB C 13 64.05 . . . . . . . 90 SER CB . 26656 1 482 . 1 1 90 90 SER N N 15 116.5 . . . . . . . 90 SER N . 26656 1 483 . 1 1 91 91 LYS H H 1 8.345 . . . . . . . 91 LYS HN . 26656 1 484 . 1 1 91 91 LYS HA H 1 4.339 . . . . . . . 91 LYS HA . 26656 1 485 . 1 1 91 91 LYS C C 13 176.35 . . . . . . . 91 LYS CO . 26656 1 486 . 1 1 91 91 LYS CA C 13 56.29 . . . . . . . 91 LYS CA . 26656 1 487 . 1 1 91 91 LYS CB C 13 33.16 . . . . . . . 91 LYS CB . 26656 1 488 . 1 1 91 91 LYS N N 15 123.5 . . . . . . . 91 LYS N . 26656 1 489 . 1 1 92 92 GLN H H 1 8.359 . . . . . . . 92 GLN HN . 26656 1 490 . 1 1 92 92 GLN HA H 1 4.591 . . . . . . . 92 GLN HA . 26656 1 491 . 1 1 92 92 GLN C C 13 174.15 . . . . . . . 92 GLN CO . 26656 1 492 . 1 1 92 92 GLN CA C 13 53.91 . . . . . . . 92 GLN CA . 26656 1 493 . 1 1 92 92 GLN N N 15 122.8 . . . . . . . 92 GLN N . 26656 1 494 . 1 1 93 93 PRO C C 13 176.75 . . . . . . . 93 PRO CO . 26656 1 495 . 1 1 93 93 PRO CA C 13 63.25 . . . . . . . 93 PRO CA . 26656 1 496 . 1 1 93 93 PRO CB C 13 32.27 . . . . . . . 93 PRO CB . 26656 1 497 . 1 1 94 94 ALA H H 1 8.459 . . . . . . . 94 ALA HN . 26656 1 498 . 1 1 94 94 ALA HA H 1 4.315 . . . . . . . 94 ALA HA . 26656 1 499 . 1 1 94 94 ALA C C 13 177.95 . . . . . . . 94 ALA CO . 26656 1 500 . 1 1 94 94 ALA CA C 13 52.76 . . . . . . . 94 ALA CA . 26656 1 501 . 1 1 94 94 ALA CB C 13 19.38 . . . . . . . 94 ALA CB . 26656 1 502 . 1 1 94 94 ALA N N 15 124.4 . . . . . . . 94 ALA N . 26656 1 503 . 1 1 95 95 SER H H 1 8.243 . . . . . . . 95 SER HN . 26656 1 504 . 1 1 95 95 SER HA H 1 4.425 . . . . . . . 95 SER HA . 26656 1 505 . 1 1 95 95 SER C C 13 174.25 . . . . . . . 95 SER CO . 26656 1 506 . 1 1 95 95 SER CA C 13 58.24 . . . . . . . 95 SER CA . 26656 1 507 . 1 1 95 95 SER CB C 13 64.1 . . . . . . . 95 SER CB . 26656 1 508 . 1 1 95 95 SER N N 15 114.9 . . . . . . . 95 SER N . 26656 1 509 . 1 1 96 96 GLN H H 1 8.339 . . . . . . . 96 GLN HN . 26656 1 510 . 1 1 96 96 GLN HA H 1 4.649 . . . . . . . 96 GLN HA . 26656 1 511 . 1 1 96 96 GLN C C 13 174.15 . . . . . . . 96 GLN CO . 26656 1 512 . 1 1 96 96 GLN CA C 13 53.9 . . . . . . . 96 GLN CA . 26656 1 513 . 1 1 96 96 GLN N N 15 123 . . . . . . . 96 GLN N . 26656 1 514 . 1 1 97 97 PRO C C 13 177.05 . . . . . . . 97 PRO CO . 26656 1 515 . 1 1 97 97 PRO CA C 13 63.38 . . . . . . . 97 PRO CA . 26656 1 516 . 1 1 97 97 PRO CB C 13 32.29 . . . . . . . 97 PRO CB . 26656 1 517 . 1 1 98 98 ARG H H 1 8.5 . . . . . . . 98 ARG HN . 26656 1 518 . 1 1 98 98 ARG HA H 1 4.331 . . . . . . . 98 ARG HA . 26656 1 519 . 1 1 98 98 ARG C C 13 176.95 . . . . . . . 98 ARG CO . 26656 1 520 . 1 1 98 98 ARG CA C 13 56.35 . . . . . . . 98 ARG CA . 26656 1 521 . 1 1 98 98 ARG CB C 13 31.17 . . . . . . . 98 ARG CB . 26656 1 522 . 1 1 98 98 ARG N N 15 121.6 . . . . . . . 98 ARG N . 26656 1 523 . 1 1 99 99 GLY H H 1 8.369 . . . . . . . 99 GLY HN . 26656 1 524 . 1 1 99 99 GLY HA2 H 1 3.931 . . . . . . . 99 GLY HA . 26656 1 525 . 1 1 99 99 GLY HA3 H 1 3.931 . . . . . . . 99 GLY HA . 26656 1 526 . 1 1 99 99 GLY C C 13 173.45 . . . . . . . 99 GLY CO . 26656 1 527 . 1 1 99 99 GLY CA C 13 45.21 . . . . . . . 99 GLY CA . 26656 1 528 . 1 1 99 99 GLY N N 15 110 . . . . . . . 99 GLY N . 26656 1 529 . 1 1 100 100 ASP H H 1 8.311 . . . . . . . 100 ASP HN . 26656 1 530 . 1 1 100 100 ASP HA H 1 4.908 . . . . . . . 100 ASP HA . 26656 1 531 . 1 1 100 100 ASP C C 13 174.85 . . . . . . . 100 ASP CO . 26656 1 532 . 1 1 100 100 ASP CA C 13 52.31 . . . . . . . 100 ASP CA . 26656 1 533 . 1 1 100 100 ASP N N 15 121.2 . . . . . . . 100 ASP N . 26656 1 534 . 1 1 101 101 PRO C C 13 177.45 . . . . . . . 101 PRO CO . 26656 1 535 . 1 1 101 101 PRO CA C 13 63.78 . . . . . . . 101 PRO CA . 26656 1 536 . 1 1 101 101 PRO CB C 13 32.24 . . . . . . . 101 PRO CB . 26656 1 537 . 1 1 102 102 THR H H 1 8.253 . . . . . . . 102 THR HN . 26656 1 538 . 1 1 102 102 THR HA H 1 4.356 . . . . . . . 102 THR HA . 26656 1 539 . 1 1 102 102 THR C C 13 175.05 . . . . . . . 102 THR CO . 26656 1 540 . 1 1 102 102 THR CA C 13 62.12 . . . . . . . 102 THR CA . 26656 1 541 . 1 1 102 102 THR CB C 13 70.03 . . . . . . . 102 THR CB . 26656 1 542 . 1 1 102 102 THR N N 15 113.1 . . . . . . . 102 THR N . 26656 1 543 . 1 1 103 103 GLY H H 1 8.118 . . . . . . . 103 GLY HN . 26656 1 544 . 1 1 103 103 GLY HA2 H 1 4.099 . . . . . . . 103 GLY HA . 26656 1 545 . 1 1 103 103 GLY HA3 H 1 4.099 . . . . . . . 103 GLY HA . 26656 1 546 . 1 1 103 103 GLY C C 13 172.05 . . . . . . . 103 GLY CO . 26656 1 547 . 1 1 103 103 GLY CA C 13 45.19 . . . . . . . 103 GLY CA . 26656 1 548 . 1 1 103 103 GLY N N 15 111 . . . . . . . 103 GLY N . 26656 1 549 . 1 1 104 104 PRO C C 13 177.45 . . . . . . . 104 PRO CO . 26656 1 550 . 1 1 104 104 PRO CA C 13 63.42 . . . . . . . 104 PRO CA . 26656 1 551 . 1 1 104 104 PRO CB C 13 32.29 . . . . . . . 104 PRO CB . 26656 1 552 . 1 1 105 105 LYS H H 1 8.467 . . . . . . . 105 LYS HN . 26656 1 553 . 1 1 105 105 LYS HA H 1 4.284 . . . . . . . 105 LYS HA . 26656 1 554 . 1 1 105 105 LYS C C 13 176.95 . . . . . . . 105 LYS CO . 26656 1 555 . 1 1 105 105 LYS CA C 13 56.66 . . . . . . . 105 LYS CA . 26656 1 556 . 1 1 105 105 LYS CB C 13 33.07 . . . . . . . 105 LYS CB . 26656 1 557 . 1 1 105 105 LYS N N 15 121.4 . . . . . . . 105 LYS N . 26656 1 558 . 1 1 106 106 GLU H H 1 8.352 . . . . . . . 106 GLU HN . 26656 1 559 . 1 1 106 106 GLU HA H 1 4.349 . . . . . . . 106 GLU HA . 26656 1 560 . 1 1 106 106 GLU C C 13 176.45 . . . . . . . 106 GLU CO . 26656 1 561 . 1 1 106 106 GLU CA C 13 56.38 . . . . . . . 106 GLU CA . 26656 1 562 . 1 1 106 106 GLU CB C 13 30.01 . . . . . . . 106 GLU CB . 26656 1 563 . 1 1 106 106 GLU N N 15 121.4 . . . . . . . 106 GLU N . 26656 1 564 . 1 1 107 107 SER H H 1 8.38 . . . . . . . 107 SER HN . 26656 1 565 . 1 1 107 107 SER HA H 1 4.424 . . . . . . . 107 SER HA . 26656 1 566 . 1 1 107 107 SER C C 13 174.65 . . . . . . . 107 SER CO . 26656 1 567 . 1 1 107 107 SER CA C 13 58.61 . . . . . . . 107 SER CA . 26656 1 568 . 1 1 107 107 SER CB C 13 64.05 . . . . . . . 107 SER CB . 26656 1 569 . 1 1 107 107 SER N N 15 117.5 . . . . . . . 107 SER N . 26656 1 570 . 1 1 108 108 LYS H H 1 8.312 . . . . . . . 108 LYS HN . 26656 1 571 . 1 1 108 108 LYS HA H 1 4.337 . . . . . . . 108 LYS HA . 26656 1 572 . 1 1 108 108 LYS C C 13 176.45 . . . . . . . 108 LYS CO . 26656 1 573 . 1 1 108 108 LYS CA C 13 56.43 . . . . . . . 108 LYS CA . 26656 1 574 . 1 1 108 108 LYS CB C 13 33.13 . . . . . . . 108 LYS CB . 26656 1 575 . 1 1 108 108 LYS N N 15 123.2 . . . . . . . 108 LYS N . 26656 1 576 . 1 1 109 109 LYS H H 1 8.246 . . . . . . . 109 LYS HN . 26656 1 577 . 1 1 109 109 LYS HA H 1 4.256 . . . . . . . 109 LYS HA . 26656 1 578 . 1 1 109 109 LYS C C 13 176.55 . . . . . . . 109 LYS CO . 26656 1 579 . 1 1 109 109 LYS CA C 13 56.62 . . . . . . . 109 LYS CA . 26656 1 580 . 1 1 109 109 LYS CB C 13 33.2 . . . . . . . 109 LYS CB . 26656 1 581 . 1 1 109 109 LYS N N 15 122.5 . . . . . . . 109 LYS N . 26656 1 582 . 1 1 110 110 LYS H H 1 8.246 . . . . . . . 110 LYS HN . 26656 1 583 . 1 1 110 110 LYS C C 13 176.55 . . . . . . . 110 LYS CO . 26656 1 584 . 1 1 110 110 LYS CA C 13 56.62 . . . . . . . 110 LYS CA . 26656 1 585 . 1 1 110 110 LYS CB C 13 33.2 . . . . . . . 110 LYS CB . 26656 1 586 . 1 1 110 110 LYS N N 15 122.5 . . . . . . . 110 LYS N . 26656 1 587 . 1 1 111 111 VAL H H 1 8.214 . . . . . . . 111 VAL HN . 26656 1 588 . 1 1 111 111 VAL HA H 1 4.092 . . . . . . . 111 VAL HA . 26656 1 589 . 1 1 111 111 VAL C C 13 176.25 . . . . . . . 111 VAL CO . 26656 1 590 . 1 1 111 111 VAL CA C 13 62.49 . . . . . . . 111 VAL CA . 26656 1 591 . 1 1 111 111 VAL CB C 13 32.96 . . . . . . . 111 VAL CB . 26656 1 592 . 1 1 111 111 VAL N N 15 122.3 . . . . . . . 111 VAL N . 26656 1 593 . 1 1 112 112 GLU H H 1 8.474 . . . . . . . 112 GLU HN . 26656 1 594 . 1 1 112 112 GLU HA H 1 4.36 . . . . . . . 112 GLU HA . 26656 1 595 . 1 1 112 112 GLU C C 13 176.15 . . . . . . . 112 GLU CO . 26656 1 596 . 1 1 112 112 GLU CA C 13 56.32 . . . . . . . 112 GLU CA . 26656 1 597 . 1 1 112 112 GLU CB C 13 30.03 . . . . . . . 112 GLU CB . 26656 1 598 . 1 1 112 112 GLU N N 15 125 . . . . . . . 112 GLU N . 26656 1 599 . 1 1 113 113 ARG H H 1 8.379 . . . . . . . 113 ARG HN . 26656 1 600 . 1 1 113 113 ARG HA H 1 4.326 . . . . . . . 113 ARG HA . 26656 1 601 . 1 1 113 113 ARG C C 13 176.35 . . . . . . . 113 ARG CO . 26656 1 602 . 1 1 113 113 ARG CA C 13 56.37 . . . . . . . 113 ARG CA . 26656 1 603 . 1 1 113 113 ARG CB C 13 33.26 . . . . . . . 113 ARG CB . 26656 1 604 . 1 1 113 113 ARG N N 15 122.1 . . . . . . . 113 ARG N . 26656 1 605 . 1 1 114 114 GLU H H 1 8.405 . . . . . . . 114 GLU HN . 26656 1 606 . 1 1 114 114 GLU HA H 1 4.456 . . . . . . . 114 GLU HA . 26656 1 607 . 1 1 114 114 GLU C C 13 176.35 . . . . . . . 114 GLU CO . 26656 1 608 . 1 1 114 114 GLU CA C 13 56.47 . . . . . . . 114 GLU CA . 26656 1 609 . 1 1 114 114 GLU CB C 13 29.72 . . . . . . . 114 GLU CB . 26656 1 610 . 1 1 114 114 GLU N N 15 123 . . . . . . . 114 GLU N . 26656 1 611 . 1 1 115 115 THR H H 1 8.163 . . . . . . . 115 THR HN . 26656 1 612 . 1 1 115 115 THR HA H 1 4.311 . . . . . . . 115 THR HA . 26656 1 613 . 1 1 115 115 THR C C 13 174.65 . . . . . . . 115 THR CO . 26656 1 614 . 1 1 115 115 THR CA C 13 62.11 . . . . . . . 115 THR CA . 26656 1 615 . 1 1 115 115 THR CB C 13 70.04 . . . . . . . 115 THR CB . 26656 1 616 . 1 1 115 115 THR N N 15 114.7 . . . . . . . 115 THR N . 26656 1 617 . 1 1 116 116 GLU H H 1 8.401 . . . . . . . 116 GLU HN . 26656 1 618 . 1 1 116 116 GLU HA H 1 4.308 . . . . . . . 116 GLU HA . 26656 1 619 . 1 1 116 116 GLU C C 13 176.25 . . . . . . . 116 GLU CO . 26656 1 620 . 1 1 116 116 GLU CA C 13 56.46 . . . . . . . 116 GLU CA . 26656 1 621 . 1 1 116 116 GLU CB C 13 29.72 . . . . . . . 116 GLU CB . 26656 1 622 . 1 1 116 116 GLU N N 15 122.8 . . . . . . . 116 GLU N . 26656 1 623 . 1 1 117 117 THR H H 1 8.163 . . . . . . . 117 THR HN . 26656 1 624 . 1 1 117 117 THR HA H 1 4.342 . . . . . . . 117 THR HA . 26656 1 625 . 1 1 117 117 THR C C 13 174.15 . . . . . . . 117 THR CO . 26656 1 626 . 1 1 117 117 THR CA C 13 61.93 . . . . . . . 117 THR CA . 26656 1 627 . 1 1 117 117 THR CB C 13 70.03 . . . . . . . 117 THR CB . 26656 1 628 . 1 1 117 117 THR N N 15 114.7 . . . . . . . 117 THR N . 26656 1 629 . 1 1 118 118 ASP H H 1 8.376 . . . . . . . 118 ASP HN . 26656 1 630 . 1 1 118 118 ASP HA H 1 4.93 . . . . . . . 118 ASP HA . 26656 1 631 . 1 1 118 118 ASP C C 13 173.75 . . . . . . . 118 ASP CO . 26656 1 632 . 1 1 118 118 ASP CA C 13 52.47 . . . . . . . 118 ASP CA . 26656 1 633 . 1 1 118 118 ASP N N 15 123.5 . . . . . . . 118 ASP N . 26656 1 634 . 1 1 119 119 PRO C C 13 176.95 . . . . . . . 119 PRO CO . 26656 1 635 . 1 1 119 119 PRO CA C 13 63.41 . . . . . . . 119 PRO CA . 26656 1 636 . 1 1 119 119 PRO CB C 13 32.25 . . . . . . . 119 PRO CB . 26656 1 637 . 1 1 120 120 VAL H H 1 8.197 . . . . . . . 120 VAL HN . 26656 1 638 . 1 1 120 120 VAL HA H 1 4.115 . . . . . . . 120 VAL HA . 26656 1 639 . 1 1 120 120 VAL C C 13 175.45 . . . . . . . 120 VAL CO . 26656 1 640 . 1 1 120 120 VAL CA C 13 62.44 . . . . . . . 120 VAL CA . 26656 1 641 . 1 1 120 120 VAL CB C 13 32.88 . . . . . . . 120 VAL CB . 26656 1 642 . 1 1 120 120 VAL N N 15 119.4 . . . . . . . 120 VAL N . 26656 1 643 . 1 1 121 121 ASP H H 1 8.035 . . . . . . . 121 ASP HN . 26656 1 644 . 1 1 121 121 ASP HA H 1 4.507 . . . . . . . 121 ASP HA . 26656 1 645 . 1 1 121 121 ASP CA C 13 54.6 . . . . . . . 121 ASP CA . 26656 1 646 . 1 1 121 121 ASP N N 15 126.6 . . . . . . . 121 ASP N . 26656 1 stop_ save_