data_50117 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50117 _Entry.Title ; UN2A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-06 _Entry.Accession_date 2019-12-06 _Entry.Last_release_date 2019-12-09 _Entry.Original_release_date 2019-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tiankun Zhou . . . . 50117 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50117 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 50117 '15N chemical shifts' 75 50117 '1H chemical shifts' 75 50117 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 . . 2021-07-13 2019-12-06 update BMRB 'update entry citation' 50117 1 . . 2021-03-18 2019-12-06 original author 'original release' 50117 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50117 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33647290 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular Characterisation of Titin N2A and Its Binding of CARP Reveals a Titin/Actin Cross-linking Mechanism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 433 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 166901 _Citation.Page_last 166901 _Citation.Year 2021 _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 Tiankun Zhou T. . . . 50117 1 2 Jennifer Fleming J. R. . . 50117 1 3 Stephan Lange S. . . . 50117 1 4 Anthony Hessel A. L. . . 50117 1 5 Julius Bogomolovas J. . . . 50117 1 6 Chiara Stronczek C. . . . 50117 1 7 David Grundei D. . . . 50117 1 8 Majid Ghassemian M. . . . 50117 1 9 Andrea Biju A. . . . 50117 1 10 Emma Borgeson E. . . . 50117 1 11 Belinda Bullard B. . . . 50117 1 12 Wolfgang Linke W. A. . . 50117 1 13 Ju Chen J. . . . 50117 1 14 Michael Kovermann M. . . . 50117 1 15 Olga Mayans O. . . . 50117 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50117 _Assembly.ID 1 _Assembly.Name 'UN2A assembly' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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 UN2A 1 $entity_1 . . yes native no no . . . 50117 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50117 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDERKKQEKIEGDLRAMLKK TPILKKGAGEEEEIDIMELL KNVDPKEYEKYARMYGITDF RGLLQAFELLKQSQEEETHR LEIEEIERSERDEKEFEELV SFIQQRLSQTE ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 50117 1 2 . ASP . 50117 1 3 . GLU . 50117 1 4 . ARG . 50117 1 5 . LYS . 50117 1 6 . LYS . 50117 1 7 . GLN . 50117 1 8 . GLU . 50117 1 9 . LYS . 50117 1 10 . ILE . 50117 1 11 . GLU . 50117 1 12 . GLY . 50117 1 13 . ASP . 50117 1 14 . LEU . 50117 1 15 . ARG . 50117 1 16 . ALA . 50117 1 17 . MET . 50117 1 18 . LEU . 50117 1 19 . LYS . 50117 1 20 . LYS . 50117 1 21 . THR . 50117 1 22 . PRO . 50117 1 23 . ILE . 50117 1 24 . LEU . 50117 1 25 . LYS . 50117 1 26 . LYS . 50117 1 27 . GLY . 50117 1 28 . ALA . 50117 1 29 . GLY . 50117 1 30 . GLU . 50117 1 31 . GLU . 50117 1 32 . GLU . 50117 1 33 . GLU . 50117 1 34 . ILE . 50117 1 35 . ASP . 50117 1 36 . ILE . 50117 1 37 . MET . 50117 1 38 . GLU . 50117 1 39 . LEU . 50117 1 40 . LEU . 50117 1 41 . LYS . 50117 1 42 . ASN . 50117 1 43 . VAL . 50117 1 44 . ASP . 50117 1 45 . PRO . 50117 1 46 . LYS . 50117 1 47 . GLU . 50117 1 48 . TYR . 50117 1 49 . GLU . 50117 1 50 . LYS . 50117 1 51 . TYR . 50117 1 52 . ALA . 50117 1 53 . ARG . 50117 1 54 . MET . 50117 1 55 . TYR . 50117 1 56 . GLY . 50117 1 57 . ILE . 50117 1 58 . THR . 50117 1 59 . ASP . 50117 1 60 . PHE . 50117 1 61 . ARG . 50117 1 62 . GLY . 50117 1 63 . LEU . 50117 1 64 . LEU . 50117 1 65 . GLN . 50117 1 66 . ALA . 50117 1 67 . PHE . 50117 1 68 . GLU . 50117 1 69 . LEU . 50117 1 70 . LEU . 50117 1 71 . LYS . 50117 1 72 . GLN . 50117 1 73 . SER . 50117 1 74 . GLN . 50117 1 75 . GLU . 50117 1 76 . GLU . 50117 1 77 . GLU . 50117 1 78 . THR . 50117 1 79 . HIS . 50117 1 80 . ARG . 50117 1 81 . LEU . 50117 1 82 . GLU . 50117 1 83 . ILE . 50117 1 84 . GLU . 50117 1 85 . GLU . 50117 1 86 . ILE . 50117 1 87 . GLU . 50117 1 88 . ARG . 50117 1 89 . SER . 50117 1 90 . GLU . 50117 1 91 . ARG . 50117 1 92 . ASP . 50117 1 93 . GLU . 50117 1 94 . LYS . 50117 1 95 . GLU . 50117 1 96 . PHE . 50117 1 97 . GLU . 50117 1 98 . GLU . 50117 1 99 . LEU . 50117 1 100 . VAL . 50117 1 101 . SER . 50117 1 102 . PHE . 50117 1 103 . ILE . 50117 1 104 . GLN . 50117 1 105 . GLN . 50117 1 106 . ARG . 50117 1 107 . LEU . 50117 1 108 . SER . 50117 1 109 . GLN . 50117 1 110 . THR . 50117 1 111 . GLU . 50117 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 50117 1 . ASP 2 2 50117 1 . GLU 3 3 50117 1 . ARG 4 4 50117 1 . LYS 5 5 50117 1 . LYS 6 6 50117 1 . GLN 7 7 50117 1 . GLU 8 8 50117 1 . LYS 9 9 50117 1 . ILE 10 10 50117 1 . GLU 11 11 50117 1 . GLY 12 12 50117 1 . ASP 13 13 50117 1 . LEU 14 14 50117 1 . ARG 15 15 50117 1 . ALA 16 16 50117 1 . MET 17 17 50117 1 . LEU 18 18 50117 1 . LYS 19 19 50117 1 . LYS 20 20 50117 1 . THR 21 21 50117 1 . PRO 22 22 50117 1 . ILE 23 23 50117 1 . LEU 24 24 50117 1 . LYS 25 25 50117 1 . LYS 26 26 50117 1 . GLY 27 27 50117 1 . ALA 28 28 50117 1 . GLY 29 29 50117 1 . GLU 30 30 50117 1 . GLU 31 31 50117 1 . GLU 32 32 50117 1 . GLU 33 33 50117 1 . ILE 34 34 50117 1 . ASP 35 35 50117 1 . ILE 36 36 50117 1 . MET 37 37 50117 1 . GLU 38 38 50117 1 . LEU 39 39 50117 1 . LEU 40 40 50117 1 . LYS 41 41 50117 1 . ASN 42 42 50117 1 . VAL 43 43 50117 1 . ASP 44 44 50117 1 . PRO 45 45 50117 1 . LYS 46 46 50117 1 . GLU 47 47 50117 1 . TYR 48 48 50117 1 . GLU 49 49 50117 1 . LYS 50 50 50117 1 . TYR 51 51 50117 1 . ALA 52 52 50117 1 . ARG 53 53 50117 1 . MET 54 54 50117 1 . TYR 55 55 50117 1 . GLY 56 56 50117 1 . ILE 57 57 50117 1 . THR 58 58 50117 1 . ASP 59 59 50117 1 . PHE 60 60 50117 1 . ARG 61 61 50117 1 . GLY 62 62 50117 1 . LEU 63 63 50117 1 . LEU 64 64 50117 1 . GLN 65 65 50117 1 . ALA 66 66 50117 1 . PHE 67 67 50117 1 . GLU 68 68 50117 1 . LEU 69 69 50117 1 . LEU 70 70 50117 1 . LYS 71 71 50117 1 . GLN 72 72 50117 1 . SER 73 73 50117 1 . GLN 74 74 50117 1 . GLU 75 75 50117 1 . GLU 76 76 50117 1 . GLU 77 77 50117 1 . THR 78 78 50117 1 . HIS 79 79 50117 1 . ARG 80 80 50117 1 . LEU 81 81 50117 1 . GLU 82 82 50117 1 . ILE 83 83 50117 1 . GLU 84 84 50117 1 . GLU 85 85 50117 1 . ILE 86 86 50117 1 . GLU 87 87 50117 1 . ARG 88 88 50117 1 . SER 89 89 50117 1 . GLU 90 90 50117 1 . ARG 91 91 50117 1 . ASP 92 92 50117 1 . GLU 93 93 50117 1 . LYS 94 94 50117 1 . GLU 95 95 50117 1 . PHE 96 96 50117 1 . GLU 97 97 50117 1 . GLU 98 98 50117 1 . LEU 99 99 50117 1 . VAL 100 100 50117 1 . SER 101 101 50117 1 . PHE 102 102 50117 1 . ILE 103 103 50117 1 . GLN 104 104 50117 1 . GLN 105 105 50117 1 . ARG 106 106 50117 1 . LEU 107 107 50117 1 . SER 108 108 50117 1 . GLN 109 109 50117 1 . THR 110 110 50117 1 . GLU 111 111 50117 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50117 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50117 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50117 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-Trx-1a . . . 50117 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50117 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 UN2A '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1.2 . . mM . . . . 50117 1 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 50117 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50117 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 50117 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 50117 1 temperature 298 . K 50117 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50117 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50117 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50117 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50117 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 50117 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50117 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50117 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50117 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50117 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50117 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equiped with a cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50117 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50117 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50117 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50117 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50117 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50117 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50117 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50117 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50117 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50117 1 2 '3D HNCO' . . . 50117 1 3 '3D HNCA' . . . 50117 1 4 '3D HNCACB' . . . 50117 1 5 '3D CBCA(CO)NH' . . . 50117 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50117 1 2 $software_2 . . 50117 1 3 $software_3 . . 50117 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 176.420 . . . . . . . . 1 MET C . 50117 1 2 . 1 . 1 1 1 MET CA C 13 56.500 . . . . . . . . 1 MET CA . 50117 1 3 . 1 . 1 1 1 MET CB C 13 29.960 . . . . . . . . 1 MET CB . 50117 1 4 . 1 . 1 2 2 ASP H H 1 8.103 . . . . . . . . 2 ASP HN . 50117 1 5 . 1 . 1 2 2 ASP C C 13 176.381 . . . . . . . . 2 ASP C . 50117 1 6 . 1 . 1 2 2 ASP CA C 13 55.440 . . . . . . . . 2 ASP CA . 50117 1 7 . 1 . 1 2 2 ASP CB C 13 41.580 . . . . . . . . 2 ASP CB . 50117 1 8 . 1 . 1 2 2 ASP N N 15 123.071 . . . . . . . . 2 ASP N . 50117 1 9 . 1 . 1 3 3 GLU H H 1 8.187 . . . . . . . . 3 GLU HN . 50117 1 10 . 1 . 1 3 3 GLU CA C 13 56.473 . . . . . . . . 3 GLU CA . 50117 1 11 . 1 . 1 3 3 GLU CB C 13 29.459 . . . . . . . . 3 GLU CB . 50117 1 12 . 1 . 1 3 3 GLU N N 15 121.433 . . . . . . . . 3 GLU N . 50117 1 13 . 1 . 1 11 11 GLU C C 13 177.824 . . . . . . . . 11 GLU C . 50117 1 14 . 1 . 1 11 11 GLU CA C 13 57.885 . . . . . . . . 11 GLU CA . 50117 1 15 . 1 . 1 11 11 GLU CB C 13 29.525 . . . . . . . . 11 GLU CB . 50117 1 16 . 1 . 1 12 12 GLY H H 1 8.135 . . . . . . . . 12 GLY HN . 50117 1 17 . 1 . 1 12 12 GLY C C 13 176.845 . . . . . . . . 12 GLY C . 50117 1 18 . 1 . 1 12 12 GLY CA C 13 45.947 . . . . . . . . 12 GLY CA . 50117 1 19 . 1 . 1 12 12 GLY N N 15 108.676 . . . . . . . . 12 GLY N . 50117 1 20 . 1 . 1 13 13 ASP H H 1 8.161 . . . . . . . . 13 ASP HN . 50117 1 21 . 1 . 1 13 13 ASP C C 13 177.902 . . . . . . . . 13 ASP C . 50117 1 22 . 1 . 1 13 13 ASP CA C 13 56.385 . . . . . . . . 13 ASP CA . 50117 1 23 . 1 . 1 13 13 ASP CB C 13 40.787 . . . . . . . . 13 ASP CB . 50117 1 24 . 1 . 1 13 13 ASP N N 15 122.991 . . . . . . . . 13 ASP N . 50117 1 25 . 1 . 1 14 14 LEU H H 1 8.166 . . . . . . . . 14 LEU HN . 50117 1 26 . 1 . 1 14 14 LEU C C 13 178.537 . . . . . . . . 14 LEU C . 50117 1 27 . 1 . 1 14 14 LEU CA C 13 57.149 . . . . . . . . 14 LEU CA . 50117 1 28 . 1 . 1 14 14 LEU CB C 13 40.989 . . . . . . . . 14 LEU CB . 50117 1 29 . 1 . 1 14 14 LEU N N 15 123.311 . . . . . . . . 14 LEU N . 50117 1 30 . 1 . 1 15 15 ARG H H 1 8.116 . . . . . . . . 15 ARG HN . 50117 1 31 . 1 . 1 15 15 ARG C C 13 178.169 . . . . . . . . 15 ARG C . 50117 1 32 . 1 . 1 15 15 ARG CA C 13 62.634 . . . . . . . . 15 ARG CA . 50117 1 33 . 1 . 1 15 15 ARG CB C 13 29.229 . . . . . . . . 15 ARG CB . 50117 1 34 . 1 . 1 15 15 ARG N N 15 118.600 . . . . . . . . 15 ARG N . 50117 1 35 . 1 . 1 16 16 ALA H H 1 7.750 . . . . . . . . 16 ALA HN . 50117 1 36 . 1 . 1 16 16 ALA C C 13 179.493 . . . . . . . . 16 ALA C . 50117 1 37 . 1 . 1 16 16 ALA CA C 13 53.834 . . . . . . . . 16 ALA CA . 50117 1 38 . 1 . 1 16 16 ALA CB C 13 17.901 . . . . . . . . 16 ALA CB . 50117 1 39 . 1 . 1 16 16 ALA N N 15 121.471 . . . . . . . . 16 ALA N . 50117 1 40 . 1 . 1 17 17 MET H H 1 7.768 . . . . . . . . 17 MET HN . 50117 1 41 . 1 . 1 17 17 MET CA C 13 57.094 . . . . . . . . 17 MET CA . 50117 1 42 . 1 . 1 17 17 MET CB C 13 32.271 . . . . . . . . 17 MET CB . 50117 1 43 . 1 . 1 17 17 MET N N 15 118.183 . . . . . . . . 17 MET N . 50117 1 44 . 1 . 1 18 18 LEU C C 13 176.723 . . . . . . . . 18 LEU C . 50117 1 45 . 1 . 1 18 18 LEU CA C 13 54.674 . . . . . . . . 18 LEU CA . 50117 1 46 . 1 . 1 18 18 LEU CB C 13 41.711 . . . . . . . . 18 LEU CB . 50117 1 47 . 1 . 1 19 19 LYS H H 1 8.136 . . . . . . . . 19 LYS HN . 50117 1 48 . 1 . 1 19 19 LYS C C 13 176.228 . . . . . . . . 19 LYS C . 50117 1 49 . 1 . 1 19 19 LYS CA C 13 55.738 . . . . . . . . 19 LYS CA . 50117 1 50 . 1 . 1 19 19 LYS CB C 13 32.478 . . . . . . . . 19 LYS CB . 50117 1 51 . 1 . 1 19 19 LYS N N 15 122.966 . . . . . . . . 19 LYS N . 50117 1 52 . 1 . 1 20 20 LYS H H 1 8.302 . . . . . . . . 20 LYS HN . 50117 1 53 . 1 . 1 20 20 LYS C C 13 175.352 . . . . . . . . 20 LYS C . 50117 1 54 . 1 . 1 20 20 LYS CA C 13 56.131 . . . . . . . . 20 LYS CA . 50117 1 55 . 1 . 1 20 20 LYS CB C 13 32.377 . . . . . . . . 20 LYS CB . 50117 1 56 . 1 . 1 20 20 LYS N N 15 123.757 . . . . . . . . 20 LYS N . 50117 1 57 . 1 . 1 21 21 THR H H 1 7.671 . . . . . . . . 21 THR HN . 50117 1 58 . 1 . 1 21 21 THR CA C 13 58.739 . . . . . . . . 21 THR CA . 50117 1 59 . 1 . 1 21 21 THR CB C 13 69.958 . . . . . . . . 21 THR CB . 50117 1 60 . 1 . 1 21 21 THR N N 15 114.811 . . . . . . . . 21 THR N . 50117 1 61 . 1 . 1 22 22 PRO C C 13 176.592 . . . . . . . . 22 PRO C . 50117 1 62 . 1 . 1 22 22 PRO CA C 13 62.982 . . . . . . . . 22 PRO CA . 50117 1 63 . 1 . 1 22 22 PRO CB C 13 31.257 . . . . . . . . 22 PRO CB . 50117 1 64 . 1 . 1 23 23 ILE H H 1 7.957 . . . . . . . . 23 ILE HN . 50117 1 65 . 1 . 1 23 23 ILE C C 13 175.881 . . . . . . . . 23 ILE C . 50117 1 66 . 1 . 1 23 23 ILE CA C 13 61.016 . . . . . . . . 23 ILE CA . 50117 1 67 . 1 . 1 23 23 ILE CB C 13 37.916 . . . . . . . . 23 ILE CB . 50117 1 68 . 1 . 1 23 23 ILE N N 15 120.834 . . . . . . . . 23 ILE N . 50117 1 69 . 1 . 1 24 24 LEU H H 1 8.021 . . . . . . . . 24 LEU HN . 50117 1 70 . 1 . 1 24 24 LEU CA C 13 54.464 . . . . . . . . 24 LEU CA . 50117 1 71 . 1 . 1 24 24 LEU CB C 13 41.694 . . . . . . . . 24 LEU CB . 50117 1 72 . 1 . 1 24 24 LEU N N 15 125.563 . . . . . . . . 24 LEU N . 50117 1 73 . 1 . 1 26 26 LYS C C 13 177.080 . . . . . . . . 26 LYS C . 50117 1 74 . 1 . 1 26 26 LYS CA C 13 55.982 . . . . . . . . 26 LYS CA . 50117 1 75 . 1 . 1 27 27 GLY H H 1 8.390 . . . . . . . . 27 GLY HN . 50117 1 76 . 1 . 1 27 27 GLY C C 13 173.796 . . . . . . . . 27 GLY C . 50117 1 77 . 1 . 1 27 27 GLY CA C 13 45.079 . . . . . . . . 27 GLY CA . 50117 1 78 . 1 . 1 27 27 GLY N N 15 111.364 . . . . . . . . 27 GLY N . 50117 1 79 . 1 . 1 28 28 ALA H H 1 8.174 . . . . . . . . 28 ALA HN . 50117 1 80 . 1 . 1 28 28 ALA C C 13 178.315 . . . . . . . . 28 ALA C . 50117 1 81 . 1 . 1 28 28 ALA CA C 13 52.309 . . . . . . . . 28 ALA CA . 50117 1 82 . 1 . 1 28 28 ALA CB C 13 18.356 . . . . . . . . 28 ALA CB . 50117 1 83 . 1 . 1 28 28 ALA N N 15 124.471 . . . . . . . . 28 ALA N . 50117 1 84 . 1 . 1 29 29 GLY H H 1 8.386 . . . . . . . . 29 GLY HN . 50117 1 85 . 1 . 1 29 29 GLY C C 13 174.362 . . . . . . . . 29 GLY C . 50117 1 86 . 1 . 1 29 29 GLY CA C 13 45.148 . . . . . . . . 29 GLY CA . 50117 1 87 . 1 . 1 29 29 GLY N N 15 109.310 . . . . . . . . 29 GLY N . 50117 1 88 . 1 . 1 30 30 GLU H H 1 8.123 . . . . . . . . 30 GLU HN . 50117 1 89 . 1 . 1 30 30 GLU C C 13 177.440 . . . . . . . . 30 GLU C . 50117 1 90 . 1 . 1 30 30 GLU CA C 13 57.069 . . . . . . . . 30 GLU CA . 50117 1 91 . 1 . 1 30 30 GLU CB C 13 29.437 . . . . . . . . 30 GLU CB . 50117 1 92 . 1 . 1 30 30 GLU N N 15 120.830 . . . . . . . . 30 GLU N . 50117 1 93 . 1 . 1 31 31 GLU H H 1 8.005 . . . . . . . . 31 GLU HN . 50117 1 94 . 1 . 1 31 31 GLU CA C 13 56.974 . . . . . . . . 31 GLU CA . 50117 1 95 . 1 . 1 31 31 GLU CB C 13 31.917 . . . . . . . . 31 GLU CB . 50117 1 96 . 1 . 1 31 31 GLU N N 15 121.259 . . . . . . . . 31 GLU N . 50117 1 97 . 1 . 1 32 32 GLU C C 13 176.105 . . . . . . . . 32 GLU C . 50117 1 98 . 1 . 1 32 32 GLU CA C 13 56.220 . . . . . . . . 32 GLU CA . 50117 1 99 . 1 . 1 32 32 GLU CB C 13 30.156 . . . . . . . . 32 GLU CB . 50117 1 100 . 1 . 1 33 33 GLU H H 1 8.285 . . . . . . . . 33 GLU HN . 50117 1 101 . 1 . 1 33 33 GLU C C 13 176.135 . . . . . . . . 33 GLU C . 50117 1 102 . 1 . 1 33 33 GLU CA C 13 56.025 . . . . . . . . 33 GLU CA . 50117 1 103 . 1 . 1 33 33 GLU CB C 13 29.992 . . . . . . . . 33 GLU CB . 50117 1 104 . 1 . 1 33 33 GLU N N 15 122.785 . . . . . . . . 33 GLU N . 50117 1 105 . 1 . 1 34 34 ILE H H 1 8.111 . . . . . . . . 34 ILE HN . 50117 1 106 . 1 . 1 34 34 ILE C C 13 175.045 . . . . . . . . 34 ILE C . 50117 1 107 . 1 . 1 34 34 ILE CA C 13 60.293 . . . . . . . . 34 ILE CA . 50117 1 108 . 1 . 1 34 34 ILE CB C 13 38.675 . . . . . . . . 34 ILE CB . 50117 1 109 . 1 . 1 34 34 ILE N N 15 122.778 . . . . . . . . 34 ILE N . 50117 1 110 . 1 . 1 35 35 ASP H H 1 8.288 . . . . . . . . 35 ASP HN . 50117 1 111 . 1 . 1 35 35 ASP C C 13 177.024 . . . . . . . . 35 ASP C . 50117 1 112 . 1 . 1 35 35 ASP CA C 13 53.074 . . . . . . . . 35 ASP CA . 50117 1 113 . 1 . 1 35 35 ASP CB C 13 41.149 . . . . . . . . 35 ASP CB . 50117 1 114 . 1 . 1 35 35 ASP N N 15 126.205 . . . . . . . . 35 ASP N . 50117 1 115 . 1 . 1 36 36 ILE H H 1 8.300 . . . . . . . . 36 ILE HN . 50117 1 116 . 1 . 1 36 36 ILE C C 13 176.381 . . . . . . . . 36 ILE C . 50117 1 117 . 1 . 1 36 36 ILE CA C 13 62.545 . . . . . . . . 36 ILE CA . 50117 1 118 . 1 . 1 36 36 ILE CB C 13 37.298 . . . . . . . . 36 ILE CB . 50117 1 119 . 1 . 1 36 36 ILE N N 15 125.219 . . . . . . . . 36 ILE N . 50117 1 120 . 1 . 1 37 37 MET H H 1 8.007 . . . . . . . . 37 MET HN . 50117 1 121 . 1 . 1 37 37 MET C C 13 178.763 . . . . . . . . 37 MET C . 50117 1 122 . 1 . 1 37 37 MET CA C 13 57.236 . . . . . . . . 37 MET CA . 50117 1 123 . 1 . 1 37 37 MET CB C 13 30.072 . . . . . . . . 37 MET CB . 50117 1 124 . 1 . 1 37 37 MET N N 15 119.227 . . . . . . . . 37 MET N . 50117 1 125 . 1 . 1 38 38 GLU H H 1 7.435 . . . . . . . . 38 GLU HN . 50117 1 126 . 1 . 1 38 38 GLU C C 13 178.922 . . . . . . . . 38 GLU C . 50117 1 127 . 1 . 1 38 38 GLU CA C 13 58.078 . . . . . . . . 38 GLU CA . 50117 1 128 . 1 . 1 38 38 GLU CB C 13 28.671 . . . . . . . . 38 GLU CB . 50117 1 129 . 1 . 1 38 38 GLU N N 15 119.404 . . . . . . . . 38 GLU N . 50117 1 130 . 1 . 1 39 39 LEU H H 1 7.529 . . . . . . . . 39 LEU HN . 50117 1 131 . 1 . 1 39 39 LEU C C 13 179.268 . . . . . . . . 39 LEU C . 50117 1 132 . 1 . 1 39 39 LEU CA C 13 57.499 . . . . . . . . 39 LEU CA . 50117 1 133 . 1 . 1 39 39 LEU CB C 13 41.263 . . . . . . . . 39 LEU CB . 50117 1 134 . 1 . 1 39 39 LEU N N 15 119.918 . . . . . . . . 39 LEU N . 50117 1 135 . 1 . 1 40 40 LEU H H 1 7.761 . . . . . . . . 40 LEU HN . 50117 1 136 . 1 . 1 40 40 LEU C C 13 178.457 . . . . . . . . 40 LEU C . 50117 1 137 . 1 . 1 40 40 LEU CA C 13 56.264 . . . . . . . . 40 LEU CA . 50117 1 138 . 1 . 1 40 40 LEU CB C 13 40.748 . . . . . . . . 40 LEU CB . 50117 1 139 . 1 . 1 40 40 LEU N N 15 116.939 . . . . . . . . 40 LEU N . 50117 1 140 . 1 . 1 41 41 LYS H H 1 7.457 . . . . . . . . 41 LYS HN . 50117 1 141 . 1 . 1 41 41 LYS C C 13 177.181 . . . . . . . . 41 LYS C . 50117 1 142 . 1 . 1 41 41 LYS CA C 13 58.607 . . . . . . . . 41 LYS CA . 50117 1 143 . 1 . 1 41 41 LYS CB C 13 31.853 . . . . . . . . 41 LYS CB . 50117 1 144 . 1 . 1 41 41 LYS N N 15 118.411 . . . . . . . . 41 LYS N . 50117 1 145 . 1 . 1 42 42 ASN H H 1 7.668 . . . . . . . . 42 ASN HN . 50117 1 146 . 1 . 1 42 42 ASN C C 13 174.932 . . . . . . . . 42 ASN C . 50117 1 147 . 1 . 1 42 42 ASN CA C 13 53.385 . . . . . . . . 42 ASN CA . 50117 1 148 . 1 . 1 42 42 ASN CB C 13 39.504 . . . . . . . . 42 ASN CB . 50117 1 149 . 1 . 1 42 42 ASN N N 15 115.507 . . . . . . . . 42 ASN N . 50117 1 150 . 1 . 1 43 43 VAL H H 1 7.347 . . . . . . . . 43 VAL HN . 50117 1 151 . 1 . 1 43 43 VAL CA C 13 61.621 . . . . . . . . 43 VAL CA . 50117 1 152 . 1 . 1 43 43 VAL CB C 13 32.446 . . . . . . . . 43 VAL CB . 50117 1 153 . 1 . 1 43 43 VAL N N 15 119.994 . . . . . . . . 43 VAL N . 50117 1 154 . 1 . 1 45 45 PRO C C 13 178.761 . . . . . . . . 45 PRO C . 50117 1 155 . 1 . 1 45 45 PRO CA C 13 64.385 . . . . . . . . 45 PRO CA . 50117 1 156 . 1 . 1 45 45 PRO CB C 13 31.797 . . . . . . . . 45 PRO CB . 50117 1 157 . 1 . 1 46 46 LYS H H 1 8.474 . . . . . . . . 46 LYS HN . 50117 1 158 . 1 . 1 46 46 LYS C C 13 179.079 . . . . . . . . 46 LYS C . 50117 1 159 . 1 . 1 46 46 LYS CA C 13 58.402 . . . . . . . . 46 LYS CA . 50117 1 160 . 1 . 1 46 46 LYS CB C 13 31.004 . . . . . . . . 46 LYS CB . 50117 1 161 . 1 . 1 46 46 LYS N N 15 117.949 . . . . . . . . 46 LYS N . 50117 1 162 . 1 . 1 47 47 GLU H H 1 8.192 . . . . . . . . 47 GLU HN . 50117 1 163 . 1 . 1 47 47 GLU C C 13 177.689 . . . . . . . . 47 GLU C . 50117 1 164 . 1 . 1 47 47 GLU CA C 13 56.500 . . . . . . . . 47 GLU CA . 50117 1 165 . 1 . 1 47 47 GLU CB C 13 29.318 . . . . . . . . 47 GLU CB . 50117 1 166 . 1 . 1 47 47 GLU N N 15 119.047 . . . . . . . . 47 GLU N . 50117 1 167 . 1 . 1 48 48 TYR H H 1 7.545 . . . . . . . . 48 TYR HN . 50117 1 168 . 1 . 1 48 48 TYR C C 13 177.514 . . . . . . . . 48 TYR C . 50117 1 169 . 1 . 1 48 48 TYR CA C 13 59.850 . . . . . . . . 48 TYR CA . 50117 1 170 . 1 . 1 48 48 TYR CB C 13 36.917 . . . . . . . . 48 TYR CB . 50117 1 171 . 1 . 1 48 48 TYR N N 15 119.101 . . . . . . . . 48 TYR N . 50117 1 172 . 1 . 1 49 49 GLU H H 1 8.197 . . . . . . . . 49 GLU HN . 50117 1 173 . 1 . 1 49 49 GLU C C 13 178.258 . . . . . . . . 49 GLU C . 50117 1 174 . 1 . 1 49 49 GLU CA C 13 59.463 . . . . . . . . 49 GLU CA . 50117 1 175 . 1 . 1 49 49 GLU CB C 13 28.631 . . . . . . . . 49 GLU CB . 50117 1 176 . 1 . 1 49 49 GLU N N 15 119.158 . . . . . . . . 49 GLU N . 50117 1 177 . 1 . 1 50 50 LYS H H 1 7.481 . . . . . . . . 50 LYS HN . 50117 1 178 . 1 . 1 50 50 LYS C C 13 178.995 . . . . . . . . 50 LYS C . 50117 1 179 . 1 . 1 50 50 LYS CA C 13 59.070 . . . . . . . . 50 LYS CA . 50117 1 180 . 1 . 1 50 50 LYS CB C 13 31.166 . . . . . . . . 50 LYS CB . 50117 1 181 . 1 . 1 50 50 LYS N N 15 119.686 . . . . . . . . 50 LYS N . 50117 1 182 . 1 . 1 51 51 TYR H H 1 7.667 . . . . . . . . 51 TYR HN . 50117 1 183 . 1 . 1 51 51 TYR C C 13 177.570 . . . . . . . . 51 TYR C . 50117 1 184 . 1 . 1 51 51 TYR CA C 13 61.195 . . . . . . . . 51 TYR CA . 50117 1 185 . 1 . 1 51 51 TYR CB C 13 37.972 . . . . . . . . 51 TYR CB . 50117 1 186 . 1 . 1 51 51 TYR N N 15 119.195 . . . . . . . . 51 TYR N . 50117 1 187 . 1 . 1 52 52 ALA H H 1 8.461 . . . . . . . . 52 ALA HN . 50117 1 188 . 1 . 1 52 52 ALA C C 13 180.012 . . . . . . . . 52 ALA C . 50117 1 189 . 1 . 1 52 52 ALA CA C 13 55.240 . . . . . . . . 52 ALA CA . 50117 1 190 . 1 . 1 52 52 ALA CB C 13 17.346 . . . . . . . . 52 ALA CB . 50117 1 191 . 1 . 1 52 52 ALA N N 15 122.435 . . . . . . . . 52 ALA N . 50117 1 192 . 1 . 1 53 53 ARG H H 1 7.815 . . . . . . . . 53 ARG HN . 50117 1 193 . 1 . 1 53 53 ARG C C 13 179.234 . . . . . . . . 53 ARG C . 50117 1 194 . 1 . 1 53 53 ARG CA C 13 58.422 . . . . . . . . 53 ARG CA . 50117 1 195 . 1 . 1 53 53 ARG CB C 13 29.348 . . . . . . . . 53 ARG CB . 50117 1 196 . 1 . 1 53 53 ARG N N 15 116.862 . . . . . . . . 53 ARG N . 50117 1 197 . 1 . 1 54 54 MET H H 1 7.717 . . . . . . . . 54 MET HN . 50117 1 198 . 1 . 1 54 54 MET C C 13 177.279 . . . . . . . . 54 MET C . 50117 1 199 . 1 . 1 54 54 MET CA C 13 58.146 . . . . . . . . 54 MET CA . 50117 1 200 . 1 . 1 54 54 MET CB C 13 32.427 . . . . . . . . 54 MET CB . 50117 1 201 . 1 . 1 54 54 MET N N 15 119.243 . . . . . . . . 54 MET N . 50117 1 202 . 1 . 1 55 55 TYR H H 1 7.655 . . . . . . . . 55 TYR HN . 50117 1 203 . 1 . 1 55 55 TYR C C 13 175.841 . . . . . . . . 55 TYR C . 50117 1 204 . 1 . 1 55 55 TYR CA C 13 57.972 . . . . . . . . 55 TYR CA . 50117 1 205 . 1 . 1 55 55 TYR CB C 13 38.464 . . . . . . . . 55 TYR CB . 50117 1 206 . 1 . 1 55 55 TYR N N 15 115.756 . . . . . . . . 55 TYR N . 50117 1 207 . 1 . 1 56 56 GLY H H 1 7.627 . . . . . . . . 56 GLY HN . 50117 1 208 . 1 . 1 56 56 GLY C C 13 174.489 . . . . . . . . 56 GLY C . 50117 1 209 . 1 . 1 56 56 GLY CA C 13 46.170 . . . . . . . . 56 GLY CA . 50117 1 210 . 1 . 1 56 56 GLY N N 15 109.004 . . . . . . . . 56 GLY N . 50117 1 211 . 1 . 1 57 57 ILE H H 1 7.844 . . . . . . . . 57 ILE HN . 50117 1 212 . 1 . 1 57 57 ILE CA C 13 60.563 . . . . . . . . 57 ILE CA . 50117 1 213 . 1 . 1 57 57 ILE CB C 13 37.709 . . . . . . . . 57 ILE CB . 50117 1 214 . 1 . 1 57 57 ILE N N 15 119.981 . . . . . . . . 57 ILE N . 50117 1 215 . 1 . 1 60 60 PHE C C 13 176.854 . . . . . . . . 60 PHE C . 50117 1 216 . 1 . 1 60 60 PHE CA C 13 60.300 . . . . . . . . 60 PHE CA . 50117 1 217 . 1 . 1 60 60 PHE CB C 13 38.758 . . . . . . . . 60 PHE CB . 50117 1 218 . 1 . 1 61 61 ARG H H 1 8.268 . . . . . . . . 61 ARG HN . 50117 1 219 . 1 . 1 61 61 ARG C C 13 178.991 . . . . . . . . 61 ARG C . 50117 1 220 . 1 . 1 61 61 ARG CA C 13 59.216 . . . . . . . . 61 ARG CA . 50117 1 221 . 1 . 1 61 61 ARG CB C 13 28.603 . . . . . . . . 61 ARG CB . 50117 1 222 . 1 . 1 61 61 ARG N N 15 119.593 . . . . . . . . 61 ARG N . 50117 1 223 . 1 . 1 62 62 GLY H H 1 8.070 . . . . . . . . 62 GLY HN . 50117 1 224 . 1 . 1 62 62 GLY C C 13 176.424 . . . . . . . . 62 GLY C . 50117 1 225 . 1 . 1 62 62 GLY CA C 13 46.489 . . . . . . . . 62 GLY CA . 50117 1 226 . 1 . 1 62 62 GLY N N 15 108.387 . . . . . . . . 62 GLY N . 50117 1 227 . 1 . 1 63 63 LEU H H 1 7.590 . . . . . . . . 63 LEU HN . 50117 1 228 . 1 . 1 63 63 LEU C C 13 178.016 . . . . . . . . 63 LEU C . 50117 1 229 . 1 . 1 63 63 LEU CA C 13 57.493 . . . . . . . . 63 LEU CA . 50117 1 230 . 1 . 1 63 63 LEU CB C 13 40.849 . . . . . . . . 63 LEU CB . 50117 1 231 . 1 . 1 63 63 LEU N N 15 124.570 . . . . . . . . 63 LEU N . 50117 1 232 . 1 . 1 64 64 LEU H H 1 7.767 . . . . . . . . 64 LEU HN . 50117 1 233 . 1 . 1 64 64 LEU C C 13 179.665 . . . . . . . . 64 LEU C . 50117 1 234 . 1 . 1 64 64 LEU CA C 13 57.588 . . . . . . . . 64 LEU CA . 50117 1 235 . 1 . 1 64 64 LEU CB C 13 40.422 . . . . . . . . 64 LEU CB . 50117 1 236 . 1 . 1 64 64 LEU N N 15 118.740 . . . . . . . . 64 LEU N . 50117 1 237 . 1 . 1 65 65 GLN H H 1 7.892 . . . . . . . . 65 GLN HN . 50117 1 238 . 1 . 1 65 65 GLN C C 13 178.339 . . . . . . . . 65 GLN C . 50117 1 239 . 1 . 1 65 65 GLN CA C 13 58.235 . . . . . . . . 65 GLN CA . 50117 1 240 . 1 . 1 65 65 GLN CB C 13 27.787 . . . . . . . . 65 GLN CB . 50117 1 241 . 1 . 1 65 65 GLN N N 15 118.591 . . . . . . . . 65 GLN N . 50117 1 242 . 1 . 1 66 66 ALA H H 1 7.783 . . . . . . . . 66 ALA HN . 50117 1 243 . 1 . 1 66 66 ALA C C 13 179.749 . . . . . . . . 66 ALA C . 50117 1 244 . 1 . 1 66 66 ALA CA C 13 54.597 . . . . . . . . 66 ALA CA . 50117 1 245 . 1 . 1 66 66 ALA CB C 13 17.450 . . . . . . . . 66 ALA CB . 50117 1 246 . 1 . 1 66 66 ALA N N 15 122.975 . . . . . . . . 66 ALA N . 50117 1 247 . 1 . 1 67 67 PHE H H 1 8.058 . . . . . . . . 67 PHE HN . 50117 1 248 . 1 . 1 67 67 PHE C C 13 177.404 . . . . . . . . 67 PHE C . 50117 1 249 . 1 . 1 67 67 PHE CA C 13 60.036 . . . . . . . . 67 PHE CA . 50117 1 250 . 1 . 1 67 67 PHE CB C 13 38.144 . . . . . . . . 67 PHE CB . 50117 1 251 . 1 . 1 67 67 PHE N N 15 118.553 . . . . . . . . 67 PHE N . 50117 1 252 . 1 . 1 68 68 GLU H H 1 8.033 . . . . . . . . 68 GLU HN . 50117 1 253 . 1 . 1 68 68 GLU C C 13 178.849 . . . . . . . . 68 GLU C . 50117 1 254 . 1 . 1 68 68 GLU CA C 13 58.898 . . . . . . . . 68 GLU CA . 50117 1 255 . 1 . 1 68 68 GLU CB C 13 28.698 . . . . . . . . 68 GLU CB . 50117 1 256 . 1 . 1 68 68 GLU N N 15 119.899 . . . . . . . . 68 GLU N . 50117 1 257 . 1 . 1 69 69 LEU H H 1 7.722 . . . . . . . . 69 LEU HN . 50117 1 258 . 1 . 1 69 69 LEU C C 13 179.517 . . . . . . . . 69 LEU C . 50117 1 259 . 1 . 1 69 69 LEU CA C 13 57.068 . . . . . . . . 69 LEU CA . 50117 1 260 . 1 . 1 69 69 LEU CB C 13 40.956 . . . . . . . . 69 LEU CB . 50117 1 261 . 1 . 1 69 69 LEU N N 15 119.973 . . . . . . . . 69 LEU N . 50117 1 262 . 1 . 1 70 70 LEU H H 1 7.709 . . . . . . . . 70 LEU HN . 50117 1 263 . 1 . 1 70 70 LEU C C 13 178.913 . . . . . . . . 70 LEU C . 50117 1 264 . 1 . 1 70 70 LEU CA C 13 56.887 . . . . . . . . 70 LEU CA . 50117 1 265 . 1 . 1 70 70 LEU CB C 13 40.974 . . . . . . . . 70 LEU CB . 50117 1 266 . 1 . 1 70 70 LEU N N 15 121.043 . . . . . . . . 70 LEU N . 50117 1 267 . 1 . 1 71 71 LYS H H 1 7.813 . . . . . . . . 71 LYS HN . 50117 1 268 . 1 . 1 71 71 LYS C C 13 178.216 . . . . . . . . 71 LYS C . 50117 1 269 . 1 . 1 71 71 LYS CA C 13 57.844 . . . . . . . . 71 LYS CA . 50117 1 270 . 1 . 1 71 71 LYS CB C 13 31.482 . . . . . . . . 71 LYS CB . 50117 1 271 . 1 . 1 71 71 LYS N N 15 120.389 . . . . . . . . 71 LYS N . 50117 1 272 . 1 . 1 72 72 GLN H H 1 7.908 . . . . . . . . 72 GLN HN . 50117 1 273 . 1 . 1 72 72 GLN C C 13 177.436 . . . . . . . . 72 GLN C . 50117 1 274 . 1 . 1 72 72 GLN CA C 13 57.156 . . . . . . . . 72 GLN CA . 50117 1 275 . 1 . 1 72 72 GLN CB C 13 28.160 . . . . . . . . 72 GLN CB . 50117 1 276 . 1 . 1 72 72 GLN N N 15 119.427 . . . . . . . . 72 GLN N . 50117 1 277 . 1 . 1 73 73 SER H H 1 7.983 . . . . . . . . 73 SER HN . 50117 1 278 . 1 . 1 73 73 SER CA C 13 59.572 . . . . . . . . 73 SER CA . 50117 1 279 . 1 . 1 73 73 SER CB C 13 63.527 . . . . . . . . 73 SER CB . 50117 1 280 . 1 . 1 73 73 SER N N 15 116.117 . . . . . . . . 73 SER N . 50117 1 281 . 1 . 1 77 77 GLU C C 13 176.375 . . . . . . . . 77 GLU C . 50117 1 282 . 1 . 1 77 77 GLU CA C 13 55.999 . . . . . . . . 77 GLU CA . 50117 1 283 . 1 . 1 77 77 GLU CB C 13 32.223 . . . . . . . . 77 GLU CB . 50117 1 284 . 1 . 1 78 78 THR H H 1 7.847 . . . . . . . . 78 THR HN . 50117 1 285 . 1 . 1 78 78 THR CA C 13 59.736 . . . . . . . . 78 THR CA . 50117 1 286 . 1 . 1 78 78 THR CB C 13 69.534 . . . . . . . . 78 THR CB . 50117 1 287 . 1 . 1 78 78 THR N N 15 117.326 . . . . . . . . 78 THR N . 50117 1 288 . 1 . 1 80 80 ARG C C 13 176.574 . . . . . . . . 80 ARG C . 50117 1 289 . 1 . 1 80 80 ARG CA C 13 56.619 . . . . . . . . 80 ARG CA . 50117 1 290 . 1 . 1 80 80 ARG CB C 13 30.116 . . . . . . . . 80 ARG CB . 50117 1 291 . 1 . 1 81 81 LEU H H 1 8.239 . . . . . . . . 81 LEU HN . 50117 1 292 . 1 . 1 81 81 LEU CA C 13 54.834 . . . . . . . . 81 LEU CA . 50117 1 293 . 1 . 1 81 81 LEU CB C 13 40.790 . . . . . . . . 81 LEU CB . 50117 1 294 . 1 . 1 81 81 LEU N N 15 122.102 . . . . . . . . 81 LEU N . 50117 1 295 . 1 . 1 82 82 GLU C C 13 176.843 . . . . . . . . 82 GLU C . 50117 1 296 . 1 . 1 82 82 GLU CA C 13 56.722 . . . . . . . . 82 GLU CA . 50117 1 297 . 1 . 1 82 82 GLU CB C 13 29.370 . . . . . . . . 82 GLU CB . 50117 1 298 . 1 . 1 83 83 ILE H H 1 7.876 . . . . . . . . 83 ILE HN . 50117 1 299 . 1 . 1 83 83 ILE C C 13 176.496 . . . . . . . . 83 ILE C . 50117 1 300 . 1 . 1 83 83 ILE CA C 13 61.302 . . . . . . . . 83 ILE CA . 50117 1 301 . 1 . 1 83 83 ILE CB C 13 37.951 . . . . . . . . 83 ILE CB . 50117 1 302 . 1 . 1 83 83 ILE N N 15 121.054 . . . . . . . . 83 ILE N . 50117 1 303 . 1 . 1 84 84 GLU H H 1 8.223 . . . . . . . . 84 GLU HN . 50117 1 304 . 1 . 1 84 84 GLU C C 13 176.394 . . . . . . . . 84 GLU C . 50117 1 305 . 1 . 1 84 84 GLU CA C 13 56.890 . . . . . . . . 84 GLU CA . 50117 1 306 . 1 . 1 84 84 GLU CB C 13 29.606 . . . . . . . . 84 GLU CB . 50117 1 307 . 1 . 1 84 84 GLU N N 15 123.978 . . . . . . . . 84 GLU N . 50117 1 308 . 1 . 1 85 85 GLU H H 1 8.143 . . . . . . . . 85 GLU HN . 50117 1 309 . 1 . 1 85 85 GLU C C 13 176.833 . . . . . . . . 85 GLU C . 50117 1 310 . 1 . 1 85 85 GLU CA C 13 56.745 . . . . . . . . 85 GLU CA . 50117 1 311 . 1 . 1 85 85 GLU CB C 13 29.502 . . . . . . . . 85 GLU CB . 50117 1 312 . 1 . 1 85 85 GLU N N 15 122.132 . . . . . . . . 85 GLU N . 50117 1 313 . 1 . 1 86 86 ILE H H 1 7.892 . . . . . . . . 86 ILE HN . 50117 1 314 . 1 . 1 86 86 ILE C C 13 176.572 . . . . . . . . 86 ILE C . 50117 1 315 . 1 . 1 86 86 ILE CA C 13 61.500 . . . . . . . . 86 ILE CA . 50117 1 316 . 1 . 1 86 86 ILE CB C 13 38.146 . . . . . . . . 86 ILE CB . 50117 1 317 . 1 . 1 86 86 ILE N N 15 122.077 . . . . . . . . 86 ILE N . 50117 1 318 . 1 . 1 87 87 GLU H H 1 8.260 . . . . . . . . 87 GLU HN . 50117 1 319 . 1 . 1 87 87 GLU C C 13 176.802 . . . . . . . . 87 GLU C . 50117 1 320 . 1 . 1 87 87 GLU CA C 13 56.782 . . . . . . . . 87 GLU CA . 50117 1 321 . 1 . 1 87 87 GLU CB C 13 29.399 . . . . . . . . 87 GLU CB . 50117 1 322 . 1 . 1 87 87 GLU N N 15 124.399 . . . . . . . . 87 GLU N . 50117 1 323 . 1 . 1 88 88 ARG H H 1 8.184 . . . . . . . . 88 ARG HN . 50117 1 324 . 1 . 1 88 88 ARG C C 13 176.677 . . . . . . . . 88 ARG C . 50117 1 325 . 1 . 1 88 88 ARG CA C 13 56.568 . . . . . . . . 88 ARG CA . 50117 1 326 . 1 . 1 88 88 ARG CB C 13 29.524 . . . . . . . . 88 ARG CB . 50117 1 327 . 1 . 1 88 88 ARG N N 15 121.829 . . . . . . . . 88 ARG N . 50117 1 328 . 1 . 1 89 89 SER H H 1 8.301 . . . . . . . . 89 SER HN . 50117 1 329 . 1 . 1 89 89 SER CA C 13 58.634 . . . . . . . . 89 SER CA . 50117 1 330 . 1 . 1 89 89 SER CB C 13 63.702 . . . . . . . . 89 SER CB . 50117 1 331 . 1 . 1 89 89 SER N N 15 117.605 . . . . . . . . 89 SER N . 50117 1 332 . 1 . 1 90 90 GLU C C 13 177.944 . . . . . . . . 90 GLU C . 50117 1 333 . 1 . 1 90 90 GLU CA C 13 57.462 . . . . . . . . 90 GLU CA . 50117 1 334 . 1 . 1 90 90 GLU CB C 13 31.856 . . . . . . . . 90 GLU CB . 50117 1 335 . 1 . 1 91 91 ARG H H 1 8.179 . . . . . . . . 91 ARG HN . 50117 1 336 . 1 . 1 91 91 ARG C C 13 178.224 . . . . . . . . 91 ARG C . 50117 1 337 . 1 . 1 91 91 ARG CA C 13 58.009 . . . . . . . . 91 ARG CA . 50117 1 338 . 1 . 1 91 91 ARG CB C 13 29.095 . . . . . . . . 91 ARG CB . 50117 1 339 . 1 . 1 91 91 ARG N N 15 120.802 . . . . . . . . 91 ARG N . 50117 1 340 . 1 . 1 92 92 ASP H H 1 7.864 . . . . . . . . 92 ASP HN . 50117 1 341 . 1 . 1 92 92 ASP C C 13 178.094 . . . . . . . . 92 ASP C . 50117 1 342 . 1 . 1 92 92 ASP CA C 13 56.887 . . . . . . . . 92 ASP CA . 50117 1 343 . 1 . 1 92 92 ASP CB C 13 40.826 . . . . . . . . 92 ASP CB . 50117 1 344 . 1 . 1 92 92 ASP N N 15 123.395 . . . . . . . . 92 ASP N . 50117 1 345 . 1 . 1 93 93 GLU H H 1 7.980 . . . . . . . . 93 GLU HN . 50117 1 346 . 1 . 1 93 93 GLU CA C 13 57.176 . . . . . . . . 93 GLU CA . 50117 1 347 . 1 . 1 93 93 GLU CB C 13 28.293 . . . . . . . . 93 GLU CB . 50117 1 348 . 1 . 1 93 93 GLU N N 15 119.674 . . . . . . . . 93 GLU N . 50117 1 349 . 1 . 1 97 97 GLU C C 13 175.045 . . . . . . . . 97 GLU C . 50117 1 350 . 1 . 1 97 97 GLU CA C 13 56.217 . . . . . . . . 97 GLU CA . 50117 1 351 . 1 . 1 97 97 GLU CB C 13 30.196 . . . . . . . . 97 GLU CB . 50117 1 352 . 1 . 1 98 98 GLU H H 1 8.273 . . . . . . . . 98 GLU HN . 50117 1 353 . 1 . 1 98 98 GLU C C 13 177.734 . . . . . . . . 98 GLU C . 50117 1 354 . 1 . 1 98 98 GLU CA C 13 56.271 . . . . . . . . 98 GLU CA . 50117 1 355 . 1 . 1 98 98 GLU CB C 13 29.778 . . . . . . . . 98 GLU CB . 50117 1 356 . 1 . 1 98 98 GLU N N 15 123.148 . . . . . . . . 98 GLU N . 50117 1 357 . 1 . 1 99 99 LEU H H 1 8.118 . . . . . . . . 99 LEU HN . 50117 1 358 . 1 . 1 99 99 LEU C C 13 177.278 . . . . . . . . 99 LEU C . 50117 1 359 . 1 . 1 99 99 LEU CA C 13 54.915 . . . . . . . . 99 LEU CA . 50117 1 360 . 1 . 1 99 99 LEU CB C 13 41.436 . . . . . . . . 99 LEU CB . 50117 1 361 . 1 . 1 99 99 LEU N N 15 124.423 . . . . . . . . 99 LEU N . 50117 1 362 . 1 . 1 100 100 VAL H H 1 7.937 . . . . . . . . 100 VAL HN . 50117 1 363 . 1 . 1 100 100 VAL CA C 13 61.884 . . . . . . . . 100 VAL CA . 50117 1 364 . 1 . 1 100 100 VAL CB C 13 32.156 . . . . . . . . 100 VAL CB . 50117 1 365 . 1 . 1 100 100 VAL N N 15 121.795 . . . . . . . . 100 VAL N . 50117 1 366 . 1 . 1 101 101 SER C C 13 175.915 . . . . . . . . 101 SER C . 50117 1 367 . 1 . 1 101 101 SER CA C 13 60.636 . . . . . . . . 101 SER CA . 50117 1 368 . 1 . 1 101 101 SER CB C 13 62.942 . . . . . . . . 101 SER CB . 50117 1 369 . 1 . 1 102 102 PHE H H 1 7.952 . . . . . . . . 102 PHE HN . 50117 1 370 . 1 . 1 102 102 PHE C C 13 175.836 . . . . . . . . 102 PHE C . 50117 1 371 . 1 . 1 102 102 PHE CA C 13 59.931 . . . . . . . . 102 PHE CA . 50117 1 372 . 1 . 1 102 102 PHE CB C 13 38.853 . . . . . . . . 102 PHE CB . 50117 1 373 . 1 . 1 102 102 PHE N N 15 123.150 . . . . . . . . 102 PHE N . 50117 1 374 . 1 . 1 103 103 ILE H H 1 8.066 . . . . . . . . 103 ILE HN . 50117 1 375 . 1 . 1 103 103 ILE CA C 13 63.407 . . . . . . . . 103 ILE CA . 50117 1 376 . 1 . 1 103 103 ILE CB C 13 38.853 . . . . . . . . 103 ILE CB . 50117 1 377 . 1 . 1 103 103 ILE N N 15 120.484 . . . . . . . . 103 ILE N . 50117 1 378 . 1 . 1 105 105 GLN CA C 13 56.798 . . . . . . . . 105 GLN CA . 50117 1 379 . 1 . 1 105 105 GLN CB C 13 29.298 . . . . . . . . 105 GLN CB . 50117 1 380 . 1 . 1 106 106 ARG C C 13 177.615 . . . . . . . . 106 ARG C . 50117 1 381 . 1 . 1 106 106 ARG CA C 13 56.965 . . . . . . . . 106 ARG CA . 50117 1 382 . 1 . 1 106 106 ARG CB C 13 32.319 . . . . . . . . 106 ARG CB . 50117 1 383 . 1 . 1 107 107 LEU H H 1 7.827 . . . . . . . . 107 LEU HN . 50117 1 384 . 1 . 1 107 107 LEU C C 13 177.828 . . . . . . . . 107 LEU C . 50117 1 385 . 1 . 1 107 107 LEU CA C 13 55.678 . . . . . . . . 107 LEU CA . 50117 1 386 . 1 . 1 107 107 LEU CB C 13 41.073 . . . . . . . . 107 LEU CB . 50117 1 387 . 1 . 1 107 107 LEU N N 15 120.630 . . . . . . . . 107 LEU N . 50117 1 388 . 1 . 1 108 108 SER H H 1 7.782 . . . . . . . . 108 SER HN . 50117 1 389 . 1 . 1 108 108 SER CA C 13 58.648 . . . . . . . . 108 SER CA . 50117 1 390 . 1 . 1 108 108 SER CB C 13 63.897 . . . . . . . . 108 SER CB . 50117 1 391 . 1 . 1 108 108 SER N N 15 115.141 . . . . . . . . 108 SER N . 50117 1 392 . 1 . 1 109 109 GLN C C 13 177.407 . . . . . . . . 109 GLN C . 50117 1 393 . 1 . 1 109 109 GLN CA C 13 57.172 . . . . . . . . 109 GLN CA . 50117 1 394 . 1 . 1 109 109 GLN CB C 13 29.464 . . . . . . . . 109 GLN CB . 50117 1 395 . 1 . 1 110 110 THR H H 1 7.981 . . . . . . . . 110 THR HN . 50117 1 396 . 1 . 1 110 110 THR C C 13 173.765 . . . . . . . . 110 THR C . 50117 1 397 . 1 . 1 110 110 THR CA C 13 62.962 . . . . . . . . 110 THR CA . 50117 1 398 . 1 . 1 110 110 THR CB C 13 69.384 . . . . . . . . 110 THR CB . 50117 1 399 . 1 . 1 110 110 THR N N 15 115.568 . . . . . . . . 110 THR N . 50117 1 400 . 1 . 1 111 111 GLU H H 1 7.865 . . . . . . . . 111 GLU HN . 50117 1 401 . 1 . 1 111 111 GLU CA C 13 57.930 . . . . . . . . 111 GLU CA . 50117 1 402 . 1 . 1 111 111 GLU CB C 13 30.520 . . . . . . . . 111 GLU CB . 50117 1 403 . 1 . 1 111 111 GLU N N 15 128.524 . . . . . . . . 111 GLU N . 50117 1 stop_ save_