data_19844 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19844 _Entry.Title ; 1H, 13C, and 15N backbone assignment of human ribonuclease 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-07 _Entry.Accession_date 2014-03-07 _Entry.Last_release_date 2014-03-07 _Entry.Original_release_date 2014-03-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Donald Gagne . . . . 19844 2 Nicolas Doucet . . . . 19844 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19844 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 19844 '15N chemical shifts' 110 19844 '1H chemical shifts' 110 19844 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 . . 2018-05-29 2014-03-07 update author 'update sequence, etc.' 19844 1 . . 2014-04-07 2014-03-07 original author 'original release' 19844 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19844 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone assignment of human ribonuclease 4 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Donald Gagne . . . . 19844 1 2 Nicolas Doucet . . . . 19844 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19844 _Assembly.ID 1 _Assembly.Name 'RNase 4' _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 'RNase 4' 1 $RNase_4 A . yes native no no . . . 19844 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1RNF . . X-ray 2.1 . . 19844 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_4 _Entity.Sf_category entity _Entity.Sf_framecode RNase_4 _Entity.Entry_ID 19844 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNase_4 _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 ; QDGMYQRFLRQHVHPEETGG SDRYCNLMMQRRKMTLYHCK RFNTFIHEDIWNIRSICSTT NIQCKNGKMNCHEGVVKVTD CRDTGSSRAPNCRYRAIAST RRVVIACEGNPQVPVHFDG ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . GLN . 19844 1 2 . ASP . 19844 1 3 . GLY . 19844 1 4 . MET . 19844 1 5 . TYR . 19844 1 6 . GLN . 19844 1 7 . ARG . 19844 1 8 . PHE . 19844 1 9 . LEU . 19844 1 10 . ARG . 19844 1 11 . GLN . 19844 1 12 . HIS . 19844 1 13 . VAL . 19844 1 14 . HIS . 19844 1 15 . PRO . 19844 1 16 . GLU . 19844 1 17 . GLU . 19844 1 18 . THR . 19844 1 19 . GLY . 19844 1 20 . GLY . 19844 1 21 . SER . 19844 1 22 . ASP . 19844 1 23 . ARG . 19844 1 24 . TYR . 19844 1 25 . CYS . 19844 1 26 . ASN . 19844 1 27 . LEU . 19844 1 28 . MET . 19844 1 29 . MET . 19844 1 30 . GLN . 19844 1 31 . ARG . 19844 1 32 . ARG . 19844 1 33 . LYS . 19844 1 34 . MET . 19844 1 35 . THR . 19844 1 36 . LEU . 19844 1 37 . TYR . 19844 1 38 . HIS . 19844 1 39 . CYS . 19844 1 40 . LYS . 19844 1 41 . ARG . 19844 1 42 . PHE . 19844 1 43 . ASN . 19844 1 44 . THR . 19844 1 45 . PHE . 19844 1 46 . ILE . 19844 1 47 . HIS . 19844 1 48 . GLU . 19844 1 49 . ASP . 19844 1 50 . ILE . 19844 1 51 . TRP . 19844 1 52 . ASN . 19844 1 53 . ILE . 19844 1 54 . ARG . 19844 1 55 . SER . 19844 1 56 . ILE . 19844 1 57 . CYS . 19844 1 58 . SER . 19844 1 59 . THR . 19844 1 60 . THR . 19844 1 61 . ASN . 19844 1 62 . ILE . 19844 1 63 . GLN . 19844 1 64 . CYS . 19844 1 65 . LYS . 19844 1 66 . ASN . 19844 1 67 . GLY . 19844 1 68 . LYS . 19844 1 69 . MET . 19844 1 70 . ASN . 19844 1 71 . CYS . 19844 1 72 . HIS . 19844 1 73 . GLU . 19844 1 74 . GLY . 19844 1 75 . VAL . 19844 1 76 . VAL . 19844 1 77 . LYS . 19844 1 78 . VAL . 19844 1 79 . THR . 19844 1 80 . ASP . 19844 1 81 . CYS . 19844 1 82 . ARG . 19844 1 83 . ASP . 19844 1 84 . THR . 19844 1 85 . GLY . 19844 1 86 . SER . 19844 1 87 . SER . 19844 1 88 . ARG . 19844 1 89 . ALA . 19844 1 90 . PRO . 19844 1 91 . ASN . 19844 1 92 . CYS . 19844 1 93 . ARG . 19844 1 94 . TYR . 19844 1 95 . ARG . 19844 1 96 . ALA . 19844 1 97 . ILE . 19844 1 98 . ALA . 19844 1 99 . SER . 19844 1 100 . THR . 19844 1 101 . ARG . 19844 1 102 . ARG . 19844 1 103 . VAL . 19844 1 104 . VAL . 19844 1 105 . ILE . 19844 1 106 . ALA . 19844 1 107 . CYS . 19844 1 108 . GLU . 19844 1 109 . GLY . 19844 1 110 . ASN . 19844 1 111 . PRO . 19844 1 112 . GLN . 19844 1 113 . VAL . 19844 1 114 . PRO . 19844 1 115 . VAL . 19844 1 116 . HIS . 19844 1 117 . PHE . 19844 1 118 . ASP . 19844 1 119 . GLY . 19844 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 . GLN 1 1 19844 1 . ASP 2 2 19844 1 . GLY 3 3 19844 1 . MET 4 4 19844 1 . TYR 5 5 19844 1 . GLN 6 6 19844 1 . ARG 7 7 19844 1 . PHE 8 8 19844 1 . LEU 9 9 19844 1 . ARG 10 10 19844 1 . GLN 11 11 19844 1 . HIS 12 12 19844 1 . VAL 13 13 19844 1 . HIS 14 14 19844 1 . PRO 15 15 19844 1 . GLU 16 16 19844 1 . GLU 17 17 19844 1 . THR 18 18 19844 1 . GLY 19 19 19844 1 . GLY 20 20 19844 1 . SER 21 21 19844 1 . ASP 22 22 19844 1 . ARG 23 23 19844 1 . TYR 24 24 19844 1 . CYS 25 25 19844 1 . ASN 26 26 19844 1 . LEU 27 27 19844 1 . MET 28 28 19844 1 . MET 29 29 19844 1 . GLN 30 30 19844 1 . ARG 31 31 19844 1 . ARG 32 32 19844 1 . LYS 33 33 19844 1 . MET 34 34 19844 1 . THR 35 35 19844 1 . LEU 36 36 19844 1 . TYR 37 37 19844 1 . HIS 38 38 19844 1 . CYS 39 39 19844 1 . LYS 40 40 19844 1 . ARG 41 41 19844 1 . PHE 42 42 19844 1 . ASN 43 43 19844 1 . THR 44 44 19844 1 . PHE 45 45 19844 1 . ILE 46 46 19844 1 . HIS 47 47 19844 1 . GLU 48 48 19844 1 . ASP 49 49 19844 1 . ILE 50 50 19844 1 . TRP 51 51 19844 1 . ASN 52 52 19844 1 . ILE 53 53 19844 1 . ARG 54 54 19844 1 . SER 55 55 19844 1 . ILE 56 56 19844 1 . CYS 57 57 19844 1 . SER 58 58 19844 1 . THR 59 59 19844 1 . THR 60 60 19844 1 . ASN 61 61 19844 1 . ILE 62 62 19844 1 . GLN 63 63 19844 1 . CYS 64 64 19844 1 . LYS 65 65 19844 1 . ASN 66 66 19844 1 . GLY 67 67 19844 1 . LYS 68 68 19844 1 . MET 69 69 19844 1 . ASN 70 70 19844 1 . CYS 71 71 19844 1 . HIS 72 72 19844 1 . GLU 73 73 19844 1 . GLY 74 74 19844 1 . VAL 75 75 19844 1 . VAL 76 76 19844 1 . LYS 77 77 19844 1 . VAL 78 78 19844 1 . THR 79 79 19844 1 . ASP 80 80 19844 1 . CYS 81 81 19844 1 . ARG 82 82 19844 1 . ASP 83 83 19844 1 . THR 84 84 19844 1 . GLY 85 85 19844 1 . SER 86 86 19844 1 . SER 87 87 19844 1 . ARG 88 88 19844 1 . ALA 89 89 19844 1 . PRO 90 90 19844 1 . ASN 91 91 19844 1 . CYS 92 92 19844 1 . ARG 93 93 19844 1 . TYR 94 94 19844 1 . ARG 95 95 19844 1 . ALA 96 96 19844 1 . ILE 97 97 19844 1 . ALA 98 98 19844 1 . SER 99 99 19844 1 . THR 100 100 19844 1 . ARG 101 101 19844 1 . ARG 102 102 19844 1 . VAL 103 103 19844 1 . VAL 104 104 19844 1 . ILE 105 105 19844 1 . ALA 106 106 19844 1 . CYS 107 107 19844 1 . GLU 108 108 19844 1 . GLY 109 109 19844 1 . ASN 110 110 19844 1 . PRO 111 111 19844 1 . GLN 112 112 19844 1 . VAL 113 113 19844 1 . PRO 114 114 19844 1 . VAL 115 115 19844 1 . HIS 116 116 19844 1 . PHE 117 117 19844 1 . ASP 118 118 19844 1 . GLY 119 119 19844 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 19844 _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 $RNase_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19844 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 19844 _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 $RNase_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pJexpress414 . . . 19844 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19844 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15 mM Sodium Acetate' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNase 4' '[U-13C; U-15N]' . . 1 $RNase_4 . . 0.56 . . mM . . . . 19844 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19844 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 19844 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5 . pH 19844 1 temperature 298 . K 19844 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19844 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19844 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19844 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19844 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19844 _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 Agilent OMEGA . 800 . . . 19844 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 19844 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19844 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19844 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19844 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19844 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19844 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 19844 _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 glucose 'methyl carbon' . . . . ppm . internal direct . . . . . . 19844 1 H 1 na protons . . . . ppm . internal direct . . . . . . 19844 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm . internal direct . . . . . . 19844 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 19844 _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 '3D HNCO' . . . 19844 1 2 '2D 1H-15N HSQC' . . . 19844 1 3 '3D 1H-15N NOESY' . . . 19844 1 4 '3D CBCA(CO)NH' . . . 19844 1 5 '3D HNCACB' . . . 19844 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN CA C 13 56.0634 . . . . . . . . 1 GLN CA . 19844 1 2 . 1 1 1 1 GLN CB C 13 29.451 . . . . . . . . 1 GLN CB . 19844 1 3 . 1 1 2 2 ASP H H 1 8.6591 . . . . . . . . 2 ASP H . 19844 1 4 . 1 1 2 2 ASP CA C 13 54.4286 . . . . . . . . 2 ASP CA . 19844 1 5 . 1 1 2 2 ASP CB C 13 41.493 . . . . . . . . 2 ASP CB . 19844 1 6 . 1 1 2 2 ASP N N 15 122.6351 . . . . . . . . 2 ASP N . 19844 1 7 . 1 1 3 3 GLY H H 1 8.4725 . . . . . . . . 3 GLY H . 19844 1 8 . 1 1 3 3 GLY CA C 13 46.1778 . . . . . . . . 3 GLY CA . 19844 1 9 . 1 1 3 3 GLY N N 15 109.1327 . . . . . . . . 3 GLY N . 19844 1 10 . 1 1 4 4 MET H H 1 8.6624 . . . . . . . . 4 MET H . 19844 1 11 . 1 1 4 4 MET CA C 13 58.9222 . . . . . . . . 4 MET CA . 19844 1 12 . 1 1 4 4 MET CB C 13 32.5626 . . . . . . . . 4 MET CB . 19844 1 13 . 1 1 4 4 MET N N 15 119.9709 . . . . . . . . 4 MET N . 19844 1 14 . 1 1 5 5 TYR H H 1 8.8129 . . . . . . . . 5 TYR H . 19844 1 15 . 1 1 5 5 TYR CA C 13 59.3332 . . . . . . . . 5 TYR CA . 19844 1 16 . 1 1 5 5 TYR CB C 13 38.2798 . . . . . . . . 5 TYR CB . 19844 1 17 . 1 1 5 5 TYR N N 15 123.3337 . . . . . . . . 5 TYR N . 19844 1 18 . 1 1 6 6 GLN H H 1 8.3817 . . . . . . . . 6 GLN H . 19844 1 19 . 1 1 6 6 GLN CA C 13 59.6345 . . . . . . . . 6 GLN CA . 19844 1 20 . 1 1 6 6 GLN CB C 13 27.3737 . . . . . . . . 6 GLN CB . 19844 1 21 . 1 1 6 6 GLN N N 15 117.5885 . . . . . . . . 6 GLN N . 19844 1 22 . 1 1 7 7 ARG H H 1 8.2255 . . . . . . . . 7 ARG H . 19844 1 23 . 1 1 7 7 ARG CA C 13 56.8487 . . . . . . . . 7 ARG CA . 19844 1 24 . 1 1 7 7 ARG CB C 13 30.3022 . . . . . . . . 7 ARG CB . 19844 1 25 . 1 1 7 7 ARG N N 15 120.1207 . . . . . . . . 7 ARG N . 19844 1 26 . 1 1 9 9 LEU H H 1 8.86 . . . . . . . . 9 LEU H . 19844 1 27 . 1 1 9 9 LEU CA C 13 54.2993 . . . . . . . . 9 LEU CA . 19844 1 28 . 1 1 9 9 LEU CB C 13 41.894 . . . . . . . . 9 LEU CB . 19844 1 29 . 1 1 9 9 LEU N N 15 118.0136 . . . . . . . . 9 LEU N . 19844 1 30 . 1 1 10 10 ARG H H 1 7.8822 . . . . . . . . 10 ARG H . 19844 1 31 . 1 1 10 10 ARG CA C 13 58.7926 . . . . . . . . 10 ARG CA . 19844 1 32 . 1 1 10 10 ARG CB C 13 30.5505 . . . . . . . . 10 ARG CB . 19844 1 33 . 1 1 10 10 ARG N N 15 118.2334 . . . . . . . . 10 ARG N . 19844 1 34 . 1 1 11 11 GLN H H 1 8.4116 . . . . . . . . 11 GLN H . 19844 1 35 . 1 1 11 11 GLN CB C 13 28.6819 . . . . . . . . 11 GLN CB . 19844 1 36 . 1 1 11 11 GLN N N 15 112.2073 . . . . . . . . 11 GLN N . 19844 1 37 . 1 1 12 12 HIS H H 1 8.4316 . . . . . . . . 12 HIS H . 19844 1 38 . 1 1 12 12 HIS CA C 13 57.4816 . . . . . . . . 12 HIS CA . 19844 1 39 . 1 1 12 12 HIS CB C 13 29.5619 . . . . . . . . 12 HIS CB . 19844 1 40 . 1 1 12 12 HIS N N 15 118.9187 . . . . . . . . 12 HIS N . 19844 1 41 . 1 1 13 13 VAL H H 1 8.117 . . . . . . . . 13 VAL H . 19844 1 42 . 1 1 13 13 VAL CA C 13 63.5941 . . . . . . . . 13 VAL CA . 19844 1 43 . 1 1 13 13 VAL CB C 13 33.0884 . . . . . . . . 13 VAL CB . 19844 1 44 . 1 1 13 13 VAL N N 15 120.6092 . . . . . . . . 13 VAL N . 19844 1 45 . 1 1 14 14 HIS H H 1 8.032 . . . . . . . . 14 HIS H . 19844 1 46 . 1 1 14 14 HIS CB C 13 32.9597 . . . . . . . . 14 HIS CB . 19844 1 47 . 1 1 14 14 HIS N N 15 112.976 . . . . . . . . 14 HIS N . 19844 1 48 . 1 1 16 16 GLU H H 1 8.4625 . . . . . . . . 16 GLU H . 19844 1 49 . 1 1 16 16 GLU CA C 13 56.2068 . . . . . . . . 16 GLU CA . 19844 1 50 . 1 1 16 16 GLU CB C 13 28.9139 . . . . . . . . 16 GLU CB . 19844 1 51 . 1 1 16 16 GLU N N 15 113.6492 . . . . . . . . 16 GLU N . 19844 1 52 . 1 1 17 17 GLU H H 1 6.5609 . . . . . . . . 17 GLU H . 19844 1 53 . 1 1 17 17 GLU CA C 13 54.1652 . . . . . . . . 17 GLU CA . 19844 1 54 . 1 1 17 17 GLU CB C 13 32.9296 . . . . . . . . 17 GLU CB . 19844 1 55 . 1 1 17 17 GLU N N 15 116.6492 . . . . . . . . 17 GLU N . 19844 1 56 . 1 1 18 18 THR H H 1 7.7717 . . . . . . . . 18 THR H . 19844 1 57 . 1 1 18 18 THR CA C 13 61.7663 . . . . . . . . 18 THR CA . 19844 1 58 . 1 1 18 18 THR CB C 13 68.8677 . . . . . . . . 18 THR CB . 19844 1 59 . 1 1 18 18 THR N N 15 110.3059 . . . . . . . . 18 THR N . 19844 1 60 . 1 1 19 19 GLY H H 1 7.5438 . . . . . . . . 19 GLY H . 19844 1 61 . 1 1 19 19 GLY CA C 13 44.4988 . . . . . . . . 19 GLY CA . 19844 1 62 . 1 1 19 19 GLY N N 15 107.6458 . . . . . . . . 19 GLY N . 19844 1 63 . 1 1 20 20 GLY H H 1 8.463 . . . . . . . . 20 GLY H . 19844 1 64 . 1 1 20 20 GLY CA C 13 46.541 . . . . . . . . 20 GLY CA . 19844 1 65 . 1 1 20 20 GLY N N 15 108.562 . . . . . . . . 20 GLY N . 19844 1 66 . 1 1 21 21 SER H H 1 7.0954 . . . . . . . . 21 SER H . 19844 1 67 . 1 1 21 21 SER CA C 13 55.9517 . . . . . . . . 21 SER CA . 19844 1 68 . 1 1 21 21 SER CB C 13 66.674 . . . . . . . . 21 SER CB . 19844 1 69 . 1 1 21 21 SER N N 15 111.232 . . . . . . . . 21 SER N . 19844 1 70 . 1 1 22 22 ASP H H 1 8.9986 . . . . . . . . 22 ASP H . 19844 1 71 . 1 1 22 22 ASP CA C 13 58.4233 . . . . . . . . 22 ASP CA . 19844 1 72 . 1 1 22 22 ASP CB C 13 39.4161 . . . . . . . . 22 ASP CB . 19844 1 73 . 1 1 22 22 ASP N N 15 125.1978 . . . . . . . . 22 ASP N . 19844 1 74 . 1 1 23 23 ARG H H 1 8.3153 . . . . . . . . 23 ARG H . 19844 1 75 . 1 1 23 23 ARG CA C 13 59.3837 . . . . . . . . 23 ARG CA . 19844 1 76 . 1 1 23 23 ARG CB C 13 29.9365 . . . . . . . . 23 ARG CB . 19844 1 77 . 1 1 23 23 ARG N N 15 117.9008 . . . . . . . . 23 ARG N . 19844 1 78 . 1 1 24 24 TYR H H 1 7.7885 . . . . . . . . 24 TYR H . 19844 1 79 . 1 1 24 24 TYR CA C 13 61.8691 . . . . . . . . 24 TYR CA . 19844 1 80 . 1 1 24 24 TYR CB C 13 37.335 . . . . . . . . 24 TYR CB . 19844 1 81 . 1 1 24 24 TYR N N 15 119.936 . . . . . . . . 24 TYR N . 19844 1 82 . 1 1 25 25 CYS H H 1 7.7052 . . . . . . . . 25 CYS H . 19844 1 83 . 1 1 25 25 CYS CA C 13 60.3918 . . . . . . . . 25 CYS CA . 19844 1 84 . 1 1 25 25 CYS CB C 13 40.4562 . . . . . . . . 25 CYS CB . 19844 1 85 . 1 1 25 25 CYS N N 15 116.1596 . . . . . . . . 25 CYS N . 19844 1 86 . 1 1 26 26 ASN H H 1 8.6275 . . . . . . . . 26 ASN H . 19844 1 87 . 1 1 26 26 ASN CA C 13 56.4258 . . . . . . . . 26 ASN CA . 19844 1 88 . 1 1 26 26 ASN CB C 13 37.1514 . . . . . . . . 26 ASN CB . 19844 1 89 . 1 1 26 26 ASN N N 15 119.3779 . . . . . . . . 26 ASN N . 19844 1 90 . 1 1 27 27 LEU H H 1 8.0969 . . . . . . . . 27 LEU H . 19844 1 91 . 1 1 27 27 LEU CA C 13 57.3337 . . . . . . . . 27 LEU CA . 19844 1 92 . 1 1 27 27 LEU CB C 13 42.617 . . . . . . . . 27 LEU CB . 19844 1 93 . 1 1 27 27 LEU N N 15 119.7097 . . . . . . . . 27 LEU N . 19844 1 94 . 1 1 28 28 MET H H 1 8.415 . . . . . . . . 28 MET H . 19844 1 95 . 1 1 28 28 MET CA C 13 62.659 . . . . . . . . 28 MET CA . 19844 1 96 . 1 1 28 28 MET CB C 13 34.472 . . . . . . . . 28 MET CB . 19844 1 97 . 1 1 28 28 MET N N 15 117.464 . . . . . . . . 28 MET N . 19844 1 98 . 1 1 29 29 MET H H 1 8.2125 . . . . . . . . 29 MET H . 19844 1 99 . 1 1 29 29 MET CA C 13 53.4294 . . . . . . . . 29 MET CA . 19844 1 100 . 1 1 29 29 MET CB C 13 33.8509 . . . . . . . . 29 MET CB . 19844 1 101 . 1 1 29 29 MET N N 15 115.641 . . . . . . . . 29 MET N . 19844 1 102 . 1 1 30 30 GLN H H 1 6.67 . . . . . . . . 30 GLN H . 19844 1 103 . 1 1 30 30 GLN CA C 13 57.95 . . . . . . . . 30 GLN CA . 19844 1 104 . 1 1 30 30 GLN CB C 13 29.09 . . . . . . . . 30 GLN CB . 19844 1 105 . 1 1 30 30 GLN N N 15 116.24 . . . . . . . . 30 GLN N . 19844 1 106 . 1 1 31 31 ARG H H 1 8.994 . . . . . . . . 31 ARG H . 19844 1 107 . 1 1 31 31 ARG CA C 13 56.46 . . . . . . . . 31 ARG CA . 19844 1 108 . 1 1 31 31 ARG CB C 13 30.78 . . . . . . . . 31 ARG CB . 19844 1 109 . 1 1 31 31 ARG N N 15 122.538 . . . . . . . . 31 ARG N . 19844 1 110 . 1 1 32 32 ARG H H 1 8.085 . . . . . . . . 32 ARG H . 19844 1 111 . 1 1 32 32 ARG CA C 13 53.49 . . . . . . . . 32 ARG CA . 19844 1 112 . 1 1 32 32 ARG CB C 13 27.95 . . . . . . . . 32 ARG CB . 19844 1 113 . 1 1 32 32 ARG N N 15 113.521 . . . . . . . . 32 ARG N . 19844 1 114 . 1 1 33 33 LYS H H 1 7.6431 . . . . . . . . 33 LYS H . 19844 1 115 . 1 1 33 33 LYS CA C 13 56.7976 . . . . . . . . 33 LYS CA . 19844 1 116 . 1 1 33 33 LYS CB C 13 28.3768 . . . . . . . . 33 LYS CB . 19844 1 117 . 1 1 33 33 LYS N N 15 110.8082 . . . . . . . . 33 LYS N . 19844 1 118 . 1 1 34 34 MET H H 1 8.2142 . . . . . . . . 34 MET H . 19844 1 119 . 1 1 34 34 MET CB C 13 34.0299 . . . . . . . . 34 MET CB . 19844 1 120 . 1 1 34 34 MET N N 15 115.6445 . . . . . . . . 34 MET N . 19844 1 121 . 1 1 35 35 THR H H 1 7.498 . . . . . . . . 35 THR H . 19844 1 122 . 1 1 35 35 THR CA C 13 60.303 . . . . . . . . 35 THR CA . 19844 1 123 . 1 1 35 35 THR CB C 13 7.498 . . . . . . . . 35 THR CB . 19844 1 124 . 1 1 35 35 THR N N 15 106.548 . . . . . . . . 35 THR N . 19844 1 125 . 1 1 36 36 LEU H H 1 6.929 . . . . . . . . 36 LEU H . 19844 1 126 . 1 1 36 36 LEU CA C 13 55.669 . . . . . . . . 36 LEU CA . 19844 1 127 . 1 1 36 36 LEU CB C 13 39.039 . . . . . . . . 36 LEU CB . 19844 1 128 . 1 1 36 36 LEU N N 15 119.644 . . . . . . . . 36 LEU N . 19844 1 129 . 1 1 37 37 TYR H H 1 8.787 . . . . . . . . 37 TYR H . 19844 1 130 . 1 1 37 37 TYR CA C 13 58.456 . . . . . . . . 37 TYR CA . 19844 1 131 . 1 1 37 37 TYR CB C 13 38.625 . . . . . . . . 37 TYR CB . 19844 1 132 . 1 1 37 37 TYR N N 15 122.031 . . . . . . . . 37 TYR N . 19844 1 133 . 1 1 38 38 HIS H H 1 8.141 . . . . . . . . 38 HIS H . 19844 1 134 . 1 1 38 38 HIS CA C 13 59.62 . . . . . . . . 38 HIS CA . 19844 1 135 . 1 1 38 38 HIS CB C 13 31.36 . . . . . . . . 38 HIS CB . 19844 1 136 . 1 1 38 38 HIS N N 15 116.205 . . . . . . . . 38 HIS N . 19844 1 137 . 1 1 39 39 CYS H H 1 8.84 . . . . . . . . 39 CYS H . 19844 1 138 . 1 1 39 39 CYS CA C 13 53.98 . . . . . . . . 39 CYS CA . 19844 1 139 . 1 1 39 39 CYS CB C 13 37.55 . . . . . . . . 39 CYS CB . 19844 1 140 . 1 1 39 39 CYS N N 15 121.092 . . . . . . . . 39 CYS N . 19844 1 141 . 1 1 40 40 LYS H H 1 7.507 . . . . . . . . 40 LYS H . 19844 1 142 . 1 1 40 40 LYS CA C 13 58.0557 . . . . . . . . 40 LYS CA . 19844 1 143 . 1 1 40 40 LYS CB C 13 33.1642 . . . . . . . . 40 LYS CB . 19844 1 144 . 1 1 40 40 LYS N N 15 128.2529 . . . . . . . . 40 LYS N . 19844 1 145 . 1 1 41 41 ARG H H 1 9.0631 . . . . . . . . 41 ARG H . 19844 1 146 . 1 1 41 41 ARG CA C 13 60.2226 . . . . . . . . 41 ARG CA . 19844 1 147 . 1 1 41 41 ARG CB C 13 30.4367 . . . . . . . . 41 ARG CB . 19844 1 148 . 1 1 41 41 ARG N N 15 128.3459 . . . . . . . . 41 ARG N . 19844 1 149 . 1 1 42 42 PHE H H 1 7.7613 . . . . . . . . 42 PHE H . 19844 1 150 . 1 1 42 42 PHE CA C 13 55.8954 . . . . . . . . 42 PHE CA . 19844 1 151 . 1 1 42 42 PHE CB C 13 42.6454 . . . . . . . . 42 PHE CB . 19844 1 152 . 1 1 42 42 PHE N N 15 116.6054 . . . . . . . . 42 PHE N . 19844 1 153 . 1 1 43 43 ASN H H 1 8.4682 . . . . . . . . 43 ASN H . 19844 1 154 . 1 1 43 43 ASN CA C 13 54.0991 . . . . . . . . 43 ASN CA . 19844 1 155 . 1 1 43 43 ASN CB C 13 44.7299 . . . . . . . . 43 ASN CB . 19844 1 156 . 1 1 43 43 ASN N N 15 122.0317 . . . . . . . . 43 ASN N . 19844 1 157 . 1 1 44 44 THR H H 1 7.2538 . . . . . . . . 44 THR H . 19844 1 158 . 1 1 44 44 THR CA C 13 62.1192 . . . . . . . . 44 THR CA . 19844 1 159 . 1 1 44 44 THR CB C 13 70.4233 . . . . . . . . 44 THR CB . 19844 1 160 . 1 1 44 44 THR N N 15 122.0343 . . . . . . . . 44 THR N . 19844 1 161 . 1 1 45 45 PHE H H 1 8.8761 . . . . . . . . 45 PHE H . 19844 1 162 . 1 1 45 45 PHE CA C 13 54.1448 . . . . . . . . 45 PHE CA . 19844 1 163 . 1 1 45 45 PHE CB C 13 43.1816 . . . . . . . . 45 PHE CB . 19844 1 164 . 1 1 45 45 PHE N N 15 126.4992 . . . . . . . . 45 PHE N . 19844 1 165 . 1 1 46 46 ILE H H 1 9.2504 . . . . . . . . 46 ILE H . 19844 1 166 . 1 1 46 46 ILE CA C 13 61.0817 . . . . . . . . 46 ILE CA . 19844 1 167 . 1 1 46 46 ILE CB C 13 39.6062 . . . . . . . . 46 ILE CB . 19844 1 168 . 1 1 46 46 ILE N N 15 121.1689 . . . . . . . . 46 ILE N . 19844 1 169 . 1 1 47 47 HIS H H 1 9.1612 . . . . . . . . 47 HIS H . 19844 1 170 . 1 1 47 47 HIS CA C 13 52.0879 . . . . . . . . 47 HIS CA . 19844 1 171 . 1 1 47 47 HIS CB C 13 26.8876 . . . . . . . . 47 HIS CB . 19844 1 172 . 1 1 47 47 HIS N N 15 131.2579 . . . . . . . . 47 HIS N . 19844 1 173 . 1 1 48 48 GLU H H 1 6.8416 . . . . . . . . 48 GLU H . 19844 1 174 . 1 1 48 48 GLU CA C 13 53.1202 . . . . . . . . 48 GLU CA . 19844 1 175 . 1 1 48 48 GLU CB C 13 33.4266 . . . . . . . . 48 GLU CB . 19844 1 176 . 1 1 48 48 GLU N N 15 115.903 . . . . . . . . 48 GLU N . 19844 1 177 . 1 1 49 49 ASP H H 1 8.8568 . . . . . . . . 49 ASP H . 19844 1 178 . 1 1 49 49 ASP CA C 13 54.2993 . . . . . . . . 49 ASP CA . 19844 1 179 . 1 1 49 49 ASP CB C 13 41.894 . . . . . . . . 49 ASP CB . 19844 1 180 . 1 1 49 49 ASP N N 15 118.0136 . . . . . . . . 49 ASP N . 19844 1 181 . 1 1 50 50 ILE H H 1 8.7921 . . . . . . . . 50 ILE H . 19844 1 182 . 1 1 50 50 ILE CA C 13 64.0273 . . . . . . . . 50 ILE CA . 19844 1 183 . 1 1 50 50 ILE CB C 13 38.0758 . . . . . . . . 50 ILE CB . 19844 1 184 . 1 1 50 50 ILE N N 15 121.9689 . . . . . . . . 50 ILE N . 19844 1 185 . 1 1 52 52 ASN H H 1 7.496 . . . . . . . . 52 ASN H . 19844 1 186 . 1 1 52 52 ASN CA C 13 55.5609 . . . . . . . . 52 ASN CA . 19844 1 187 . 1 1 52 52 ASN CB C 13 38.0686 . . . . . . . . 52 ASN CB . 19844 1 188 . 1 1 52 52 ASN N N 15 119.3785 . . . . . . . . 52 ASN N . 19844 1 189 . 1 1 53 53 ILE H H 1 7.8686 . . . . . . . . 53 ILE H . 19844 1 190 . 1 1 53 53 ILE CA C 13 64.7376 . . . . . . . . 53 ILE CA . 19844 1 191 . 1 1 53 53 ILE CB C 13 37.932 . . . . . . . . 53 ILE CB . 19844 1 192 . 1 1 53 53 ILE N N 15 120.2992 . . . . . . . . 53 ILE N . 19844 1 193 . 1 1 54 54 ARG H H 1 8.6911 . . . . . . . . 54 ARG H . 19844 1 194 . 1 1 54 54 ARG CA C 13 60.0614 . . . . . . . . 54 ARG CA . 19844 1 195 . 1 1 54 54 ARG CB C 13 30.1684 . . . . . . . . 54 ARG CB . 19844 1 196 . 1 1 54 54 ARG N N 15 117.5057 . . . . . . . . 54 ARG N . 19844 1 197 . 1 1 55 55 SER H H 1 7.751 . . . . . . . . 55 SER H . 19844 1 198 . 1 1 55 55 SER CA C 13 61.2974 . . . . . . . . 55 SER CA . 19844 1 199 . 1 1 55 55 SER CB C 13 62.5104 . . . . . . . . 55 SER CB . 19844 1 200 . 1 1 55 55 SER N N 15 114.9689 . . . . . . . . 55 SER N . 19844 1 201 . 1 1 56 56 ILE H H 1 8.277 . . . . . . . . 56 ILE H . 19844 1 202 . 1 1 56 56 ILE CA C 13 61.812 . . . . . . . . 56 ILE CA . 19844 1 203 . 1 1 56 56 ILE CB C 13 40.998 . . . . . . . . 56 ILE CB . 19844 1 204 . 1 1 56 56 ILE N N 15 122.526 . . . . . . . . 56 ILE N . 19844 1 205 . 1 1 57 57 CYS H H 1 7.3205 . . . . . . . . 57 CYS H . 19844 1 206 . 1 1 57 57 CYS CA C 13 54.8032 . . . . . . . . 57 CYS CA . 19844 1 207 . 1 1 57 57 CYS CB C 13 38.697 . . . . . . . . 57 CYS CB . 19844 1 208 . 1 1 57 57 CYS N N 15 114.7308 . . . . . . . . 57 CYS N . 19844 1 209 . 1 1 58 58 SER H H 1 7.3918 . . . . . . . . 58 SER H . 19844 1 210 . 1 1 58 58 SER CA C 13 58.5534 . . . . . . . . 58 SER CA . 19844 1 211 . 1 1 58 58 SER CB C 13 63.5226 . . . . . . . . 58 SER CB . 19844 1 212 . 1 1 58 58 SER N N 15 112.3386 . . . . . . . . 58 SER N . 19844 1 213 . 1 1 59 59 THR H H 1 7.1871 . . . . . . . . 59 THR H . 19844 1 214 . 1 1 59 59 THR CA C 13 61.4112 . . . . . . . . 59 THR CA . 19844 1 215 . 1 1 59 59 THR CB C 13 72.548 . . . . . . . . 59 THR CB . 19844 1 216 . 1 1 59 59 THR N N 15 111.2455 . . . . . . . . 59 THR N . 19844 1 217 . 1 1 60 60 THR H H 1 8.3909 . . . . . . . . 60 THR H . 19844 1 218 . 1 1 60 60 THR CA C 13 64.4173 . . . . . . . . 60 THR CA . 19844 1 219 . 1 1 60 60 THR CB C 13 70.0379 . . . . . . . . 60 THR CB . 19844 1 220 . 1 1 60 60 THR N N 15 116.6506 . . . . . . . . 60 THR N . 19844 1 221 . 1 1 61 61 ASN H H 1 8.215 . . . . . . . . 61 ASN H . 19844 1 222 . 1 1 61 61 ASN CA C 13 63.95 . . . . . . . . 61 ASN CA . 19844 1 223 . 1 1 61 61 ASN CB C 13 38.26 . . . . . . . . 61 ASN CB . 19844 1 224 . 1 1 61 61 ASN N N 15 120.582 . . . . . . . . 61 ASN N . 19844 1 225 . 1 1 62 62 ILE H H 1 8.545 . . . . . . . . 62 ILE H . 19844 1 226 . 1 1 62 62 ILE CA C 13 58.89 . . . . . . . . 62 ILE CA . 19844 1 227 . 1 1 62 62 ILE CB C 13 41.89 . . . . . . . . 62 ILE CB . 19844 1 228 . 1 1 62 62 ILE N N 15 118.417 . . . . . . . . 62 ILE N . 19844 1 229 . 1 1 63 63 GLN H H 1 8.0173 . . . . . . . . 63 GLN H . 19844 1 230 . 1 1 63 63 GLN CA C 13 62.3699 . . . . . . . . 63 GLN CA . 19844 1 231 . 1 1 63 63 GLN CB C 13 69.3989 . . . . . . . . 63 GLN CB . 19844 1 232 . 1 1 63 63 GLN N N 15 120.1423 . . . . . . . . 63 GLN N . 19844 1 233 . 1 1 64 64 CYS H H 1 9.1324 . . . . . . . . 64 CYS H . 19844 1 234 . 1 1 64 64 CYS CA C 13 52.2829 . . . . . . . . 64 CYS CA . 19844 1 235 . 1 1 64 64 CYS CB C 13 40.9898 . . . . . . . . 64 CYS CB . 19844 1 236 . 1 1 64 64 CYS N N 15 124.4657 . . . . . . . . 64 CYS N . 19844 1 237 . 1 1 65 65 LYS H H 1 10.795 . . . . . . . . 65 LYS H . 19844 1 238 . 1 1 65 65 LYS CA C 13 60.22 . . . . . . . . 65 LYS CA . 19844 1 239 . 1 1 65 65 LYS CB C 13 40.99 . . . . . . . . 65 LYS CB . 19844 1 240 . 1 1 65 65 LYS N N 15 127.192 . . . . . . . . 65 LYS N . 19844 1 241 . 1 1 66 66 ASN H H 1 7.9875 . . . . . . . . 66 ASN H . 19844 1 242 . 1 1 66 66 ASN CA C 13 52.5934 . . . . . . . . 66 ASN CA . 19844 1 243 . 1 1 66 66 ASN CB C 13 37.1262 . . . . . . . . 66 ASN CB . 19844 1 244 . 1 1 66 66 ASN N N 15 113.8015 . . . . . . . . 66 ASN N . 19844 1 245 . 1 1 67 67 GLY H H 1 8.0397 . . . . . . . . 67 GLY H . 19844 1 246 . 1 1 67 67 GLY CA C 13 44.9337 . . . . . . . . 67 GLY CA . 19844 1 247 . 1 1 67 67 GLY N N 15 107.9652 . . . . . . . . 67 GLY N . 19844 1 248 . 1 1 68 68 LYS H H 1 8.23 . . . . . . . . 68 LYS H . 19844 1 249 . 1 1 68 68 LYS CA C 13 59.73 . . . . . . . . 68 LYS CA . 19844 1 250 . 1 1 68 68 LYS CB C 13 27.41 . . . . . . . . 68 LYS CB . 19844 1 251 . 1 1 68 68 LYS N N 15 120.17 . . . . . . . . 68 LYS N . 19844 1 252 . 1 1 69 69 MET H H 1 10.7994 . . . . . . . . 69 MET H . 19844 1 253 . 1 1 69 69 MET CA C 13 60.1077 . . . . . . . . 69 MET CA . 19844 1 254 . 1 1 69 69 MET CB C 13 31.9153 . . . . . . . . 69 MET CB . 19844 1 255 . 1 1 69 69 MET N N 15 127.0694 . . . . . . . . 69 MET N . 19844 1 256 . 1 1 70 70 ASN H H 1 7.951 . . . . . . . . 70 ASN H . 19844 1 257 . 1 1 70 70 ASN CA C 13 52.27 . . . . . . . . 70 ASN CA . 19844 1 258 . 1 1 70 70 ASN CB C 13 41.85 . . . . . . . . 70 ASN CB . 19844 1 259 . 1 1 70 70 ASN N N 15 116.092 . . . . . . . . 70 ASN N . 19844 1 260 . 1 1 71 71 CYS H H 1 7.553 . . . . . . . . 71 CYS H . 19844 1 261 . 1 1 71 71 CYS CA C 13 60.864 . . . . . . . . 71 CYS CA . 19844 1 262 . 1 1 71 71 CYS CB C 13 44.335 . . . . . . . . 71 CYS CB . 19844 1 263 . 1 1 71 71 CYS N N 15 116.288 . . . . . . . . 71 CYS N . 19844 1 264 . 1 1 72 72 HIS H H 1 8.508 . . . . . . . . 72 HIS H . 19844 1 265 . 1 1 72 72 HIS CA C 13 55.022 . . . . . . . . 72 HIS CA . 19844 1 266 . 1 1 72 72 HIS CB C 13 34.030 . . . . . . . . 72 HIS CB . 19844 1 267 . 1 1 72 72 HIS N N 15 116.255 . . . . . . . . 72 HIS N . 19844 1 268 . 1 1 73 73 GLU H H 1 9.0273 . . . . . . . . 73 GLU H . 19844 1 269 . 1 1 73 73 GLU CA C 13 52.8801 . . . . . . . . 73 GLU CA . 19844 1 270 . 1 1 73 73 GLU CB C 13 32.9597 . . . . . . . . 73 GLU CB . 19844 1 271 . 1 1 73 73 GLU N N 15 121.0088 . . . . . . . . 73 GLU N . 19844 1 272 . 1 1 74 74 GLY H H 1 8.3313 . . . . . . . . 74 GLY H . 19844 1 273 . 1 1 74 74 GLY CA C 13 62.3699 . . . . . . . . 74 GLY CA . 19844 1 274 . 1 1 74 74 GLY N N 15 105.7453 . . . . . . . . 74 GLY N . 19844 1 275 . 1 1 75 75 VAL H H 1 8.4512 . . . . . . . . 75 VAL H . 19844 1 276 . 1 1 75 75 VAL CA C 13 62.4726 . . . . . . . . 75 VAL CA . 19844 1 277 . 1 1 75 75 VAL CB C 13 31.9499 . . . . . . . . 75 VAL CB . 19844 1 278 . 1 1 75 75 VAL N N 15 122.5725 . . . . . . . . 75 VAL N . 19844 1 279 . 1 1 76 76 VAL H H 1 7.6078 . . . . . . . . 76 VAL H . 19844 1 280 . 1 1 76 76 VAL CA C 13 56.9146 . . . . . . . . 76 VAL CA . 19844 1 281 . 1 1 76 76 VAL CB C 13 37.5939 . . . . . . . . 76 VAL CB . 19844 1 282 . 1 1 76 76 VAL N N 15 124.6394 . . . . . . . . 76 VAL N . 19844 1 283 . 1 1 77 77 LYS H H 1 8.9611 . . . . . . . . 77 LYS H . 19844 1 284 . 1 1 77 77 LYS CA C 13 57.2494 . . . . . . . . 77 LYS CA . 19844 1 285 . 1 1 77 77 LYS CB C 13 32.6185 . . . . . . . . 77 LYS CB . 19844 1 286 . 1 1 77 77 LYS N N 15 122.1673 . . . . . . . . 77 LYS N . 19844 1 287 . 1 1 78 78 VAL H H 1 9.3388 . . . . . . . . 78 VAL H . 19844 1 288 . 1 1 78 78 VAL CA C 13 59.0764 . . . . . . . . 78 VAL CA . 19844 1 289 . 1 1 78 78 VAL CB C 13 36.8813 . . . . . . . . 78 VAL CB . 19844 1 290 . 1 1 78 78 VAL N N 15 115.2024 . . . . . . . . 78 VAL N . 19844 1 291 . 1 1 79 79 THR H H 1 8.8519 . . . . . . . . 79 THR H . 19844 1 292 . 1 1 79 79 THR CA C 13 64.9828 . . . . . . . . 79 THR CA . 19844 1 293 . 1 1 79 79 THR CB C 13 70.4611 . . . . . . . . 79 THR CB . 19844 1 294 . 1 1 79 79 THR N N 15 116.1006 . . . . . . . . 79 THR N . 19844 1 295 . 1 1 80 80 ASP H H 1 9.0934 . . . . . . . . 80 ASP H . 19844 1 296 . 1 1 80 80 ASP CA C 13 57.3278 . . . . . . . . 80 ASP CA . 19844 1 297 . 1 1 80 80 ASP CB C 13 42.1814 . . . . . . . . 80 ASP CB . 19844 1 298 . 1 1 80 80 ASP N N 15 125.0037 . . . . . . . . 80 ASP N . 19844 1 299 . 1 1 81 81 CYS H H 1 8.8473 . . . . . . . . 81 CYS H . 19844 1 300 . 1 1 81 81 CYS CA C 13 52.557 . . . . . . . . 81 CYS CA . 19844 1 301 . 1 1 81 81 CYS CB C 13 40.1998 . . . . . . . . 81 CYS CB . 19844 1 302 . 1 1 81 81 CYS N N 15 121.0548 . . . . . . . . 81 CYS N . 19844 1 303 . 1 1 82 82 ARG H H 1 9.2148 . . . . . . . . 82 ARG H . 19844 1 304 . 1 1 82 82 ARG CA C 13 54.6122 . . . . . . . . 82 ARG CA . 19844 1 305 . 1 1 82 82 ARG CB C 13 33.6217 . . . . . . . . 82 ARG CB . 19844 1 306 . 1 1 82 82 ARG N N 15 123.6537 . . . . . . . . 82 ARG N . 19844 1 307 . 1 1 83 83 ASP H H 1 9.2509 . . . . . . . . 83 ASP H . 19844 1 308 . 1 1 83 83 ASP CA C 13 55.5953 . . . . . . . . 83 ASP CA . 19844 1 309 . 1 1 83 83 ASP CB C 13 41.9752 . . . . . . . . 83 ASP CB . 19844 1 310 . 1 1 83 83 ASP N N 15 128.4085 . . . . . . . . 83 ASP N . 19844 1 311 . 1 1 84 84 THR H H 1 8.8265 . . . . . . . . 84 THR H . 19844 1 312 . 1 1 84 84 THR CA C 13 63.3088 . . . . . . . . 84 THR CA . 19844 1 313 . 1 1 84 84 THR CB C 13 70.8819 . . . . . . . . 84 THR CB . 19844 1 314 . 1 1 84 84 THR N N 15 118.3935 . . . . . . . . 84 THR N . 19844 1 315 . 1 1 85 85 GLY H H 1 8.6614 . . . . . . . . 85 GLY H . 19844 1 316 . 1 1 85 85 GLY CA C 13 45.7604 . . . . . . . . 85 GLY CA . 19844 1 317 . 1 1 85 85 GLY N N 15 111.0226 . . . . . . . . 85 GLY N . 19844 1 318 . 1 1 86 86 SER H H 1 8.063 . . . . . . . . 86 SER H . 19844 1 319 . 1 1 86 86 SER CA C 13 59.439 . . . . . . . . 86 SER CA . 19844 1 320 . 1 1 86 86 SER CB C 13 64.033 . . . . . . . . 86 SER CB . 19844 1 321 . 1 1 86 86 SER N N 15 114.396 . . . . . . . . 86 SER N . 19844 1 322 . 1 1 87 87 SER H H 1 7.5989 . . . . . . . . 87 SER H . 19844 1 323 . 1 1 87 87 SER CA C 13 57.0681 . . . . . . . . 87 SER CA . 19844 1 324 . 1 1 87 87 SER CB C 13 64.8953 . . . . . . . . 87 SER CB . 19844 1 325 . 1 1 87 87 SER N N 15 114.7276 . . . . . . . . 87 SER N . 19844 1 326 . 1 1 88 88 ARG H H 1 8.5027 . . . . . . . . 88 ARG H . 19844 1 327 . 1 1 88 88 ARG CA C 13 55.3307 . . . . . . . . 88 ARG CA . 19844 1 328 . 1 1 88 88 ARG CB C 13 31.733 . . . . . . . . 88 ARG CB . 19844 1 329 . 1 1 88 88 ARG N N 15 125.2722 . . . . . . . . 88 ARG N . 19844 1 330 . 1 1 89 89 ALA H H 1 8.5517 . . . . . . . . 89 ALA H . 19844 1 331 . 1 1 89 89 ALA CA C 13 52.1424 . . . . . . . . 89 ALA CA . 19844 1 332 . 1 1 89 89 ALA CB C 13 16.3474 . . . . . . . . 89 ALA CB . 19844 1 333 . 1 1 89 89 ALA N N 15 126.6252 . . . . . . . . 89 ALA N . 19844 1 334 . 1 1 91 91 ASN H H 1 8.3226 . . . . . . . . 91 ASN H . 19844 1 335 . 1 1 91 91 ASN CA C 13 52.1082 . . . . . . . . 91 ASN CA . 19844 1 336 . 1 1 91 91 ASN CB C 13 37.8469 . . . . . . . . 91 ASN CB . 19844 1 337 . 1 1 91 91 ASN N N 15 127.0459 . . . . . . . . 91 ASN N . 19844 1 338 . 1 1 92 92 CYS H H 1 7.4261 . . . . . . . . 92 CYS H . 19844 1 339 . 1 1 92 92 CYS CA C 13 56.3673 . . . . . . . . 92 CYS CA . 19844 1 340 . 1 1 92 92 CYS CB C 13 43.5172 . . . . . . . . 92 CYS CB . 19844 1 341 . 1 1 92 92 CYS N N 15 118.9747 . . . . . . . . 92 CYS N . 19844 1 342 . 1 1 93 93 ARG H H 1 9.3611 . . . . . . . . 93 ARG H . 19844 1 343 . 1 1 93 93 ARG CA C 13 54.6306 . . . . . . . . 93 ARG CA . 19844 1 344 . 1 1 93 93 ARG CB C 13 31.5772 . . . . . . . . 93 ARG CB . 19844 1 345 . 1 1 93 93 ARG N N 15 125.9928 . . . . . . . . 93 ARG N . 19844 1 346 . 1 1 94 94 TYR H H 1 10.0647 . . . . . . . . 94 TYR H . 19844 1 347 . 1 1 94 94 TYR CA C 13 58.8438 . . . . . . . . 94 TYR CA . 19844 1 348 . 1 1 94 94 TYR CB C 13 42.7783 . . . . . . . . 94 TYR CB . 19844 1 349 . 1 1 94 94 TYR N N 15 124.7574 . . . . . . . . 94 TYR N . 19844 1 350 . 1 1 95 95 ARG H H 1 9.0484 . . . . . . . . 95 ARG H . 19844 1 351 . 1 1 95 95 ARG CA C 13 53.3978 . . . . . . . . 95 ARG CA . 19844 1 352 . 1 1 95 95 ARG CB C 13 32.3059 . . . . . . . . 95 ARG CB . 19844 1 353 . 1 1 95 95 ARG N N 15 118.0468 . . . . . . . . 95 ARG N . 19844 1 354 . 1 1 96 96 ALA H H 1 8.9042 . . . . . . . . 96 ALA H . 19844 1 355 . 1 1 96 96 ALA CA C 13 50.9641 . . . . . . . . 96 ALA CA . 19844 1 356 . 1 1 96 96 ALA CB C 13 23.9424 . . . . . . . . 96 ALA CB . 19844 1 357 . 1 1 96 96 ALA N N 15 127.2826 . . . . . . . . 96 ALA N . 19844 1 358 . 1 1 97 97 ILE H H 1 8.8854 . . . . . . . . 97 ILE H . 19844 1 359 . 1 1 97 97 ILE CA C 13 61.8372 . . . . . . . . 97 ILE CA . 19844 1 360 . 1 1 97 97 ILE CB C 13 41.045 . . . . . . . . 97 ILE CB . 19844 1 361 . 1 1 97 97 ILE N N 15 120.1897 . . . . . . . . 97 ILE N . 19844 1 362 . 1 1 99 99 SER H H 1 8.565 . . . . . . . . 99 SER H . 19844 1 363 . 1 1 99 99 SER CA C 13 58.7144 . . . . . . . . 99 SER CA . 19844 1 364 . 1 1 99 99 SER CB C 13 65.4118 . . . . . . . . 99 SER CB . 19844 1 365 . 1 1 99 99 SER N N 15 115.4992 . . . . . . . . 99 SER N . 19844 1 366 . 1 1 100 100 THR H H 1 8.2767 . . . . . . . . 100 THR H . 19844 1 367 . 1 1 100 100 THR CA C 13 62.1547 . . . . . . . . 100 THR CA . 19844 1 368 . 1 1 100 100 THR CB C 13 69.204 . . . . . . . . 100 THR CB . 19844 1 369 . 1 1 100 100 THR N N 15 116.934 . . . . . . . . 100 THR N . 19844 1 370 . 1 1 101 101 ARG H H 1 9.1278 . . . . . . . . 101 ARG H . 19844 1 371 . 1 1 101 101 ARG CA C 13 53.9567 . . . . . . . . 101 ARG CA . 19844 1 372 . 1 1 101 101 ARG CB C 13 33.5035 . . . . . . . . 101 ARG CB . 19844 1 373 . 1 1 101 101 ARG N N 15 123.2499 . . . . . . . . 101 ARG N . 19844 1 374 . 1 1 102 102 ARG H H 1 8.3512 . . . . . . . . 102 ARG H . 19844 1 375 . 1 1 102 102 ARG CA C 13 55.9316 . . . . . . . . 102 ARG CA . 19844 1 376 . 1 1 102 102 ARG CB C 13 30.7724 . . . . . . . . 102 ARG CB . 19844 1 377 . 1 1 102 102 ARG N N 15 120.5585 . . . . . . . . 102 ARG N . 19844 1 378 . 1 1 103 103 VAL H H 1 9.3217 . . . . . . . . 103 VAL H . 19844 1 379 . 1 1 103 103 VAL CA C 13 57.7577 . . . . . . . . 103 VAL CA . 19844 1 380 . 1 1 103 103 VAL CB C 13 34.51 . . . . . . . . 103 VAL CB . 19844 1 381 . 1 1 103 103 VAL N N 15 122.8698 . . . . . . . . 103 VAL N . 19844 1 382 . 1 1 104 104 VAL H H 1 8.43 . . . . . . . . 104 VAL H . 19844 1 383 . 1 1 104 104 VAL CA C 13 57.48 . . . . . . . . 104 VAL CA . 19844 1 384 . 1 1 104 104 VAL CB C 13 33.84 . . . . . . . . 104 VAL CB . 19844 1 385 . 1 1 104 104 VAL N N 15 118.94 . . . . . . . . 104 VAL N . 19844 1 386 . 1 1 105 105 ILE H H 1 8.198 . . . . . . . . 105 ILE H . 19844 1 387 . 1 1 105 105 ILE CA C 13 57.50 . . . . . . . . 105 ILE CA . 19844 1 388 . 1 1 105 105 ILE CB C 13 29.69 . . . . . . . . 105 ILE CB . 19844 1 389 . 1 1 105 105 ILE N N 15 114.780 . . . . . . . . 105 ILE N . 19844 1 390 . 1 1 106 106 ALA H H 1 8.9695 . . . . . . . . 106 ALA H . 19844 1 391 . 1 1 106 106 ALA CB C 13 21.6189 . . . . . . . . 106 ALA CB . 19844 1 392 . 1 1 106 106 ALA N N 15 125.6008 . . . . . . . . 106 ALA N . 19844 1 393 . 1 1 107 107 CYS H H 1 8.4213 . . . . . . . . 107 CYS H . 19844 1 394 . 1 1 107 107 CYS CA C 13 54.7364 . . . . . . . . 107 CYS CA . 19844 1 395 . 1 1 107 107 CYS CB C 13 49.3507 . . . . . . . . 107 CYS CB . 19844 1 396 . 1 1 107 107 CYS N N 15 116.6178 . . . . . . . . 107 CYS N . 19844 1 397 . 1 1 108 108 GLU H H 1 8.7663 . . . . . . . . 108 GLU H . 19844 1 398 . 1 1 108 108 GLU CA C 13 55.9016 . . . . . . . . 108 GLU CA . 19844 1 399 . 1 1 108 108 GLU CB C 13 35.397 . . . . . . . . 108 GLU CB . 19844 1 400 . 1 1 108 108 GLU N N 15 120.5391 . . . . . . . . 108 GLU N . 19844 1 401 . 1 1 109 109 GLY H H 1 8.5889 . . . . . . . . 109 GLY H . 19844 1 402 . 1 1 109 109 GLY CA C 13 43.8047 . . . . . . . . 109 GLY CA . 19844 1 403 . 1 1 109 109 GLY N N 15 109.2453 . . . . . . . . 109 GLY N . 19844 1 404 . 1 1 110 110 ASN H H 1 7.890 . . . . . . . . 110 ASN H . 19844 1 405 . 1 1 110 110 ASN CA C 13 50.41 . . . . . . . . 110 ASN CA . 19844 1 406 . 1 1 110 110 ASN CB C 13 43.78 . . . . . . . . 110 ASN CB . 19844 1 407 . 1 1 110 110 ASN N N 15 114.326 . . . . . . . . 110 ASN N . 19844 1 408 . 1 1 113 113 VAL H H 1 7.491 . . . . . . . . 113 VAL H . 19844 1 409 . 1 1 113 113 VAL CA C 13 55.5609 . . . . . . . . 113 VAL CA . 19844 1 410 . 1 1 113 113 VAL CB C 13 38.0686 . . . . . . . . 113 VAL CB . 19844 1 411 . 1 1 113 113 VAL N N 15 119.528 . . . . . . . . 113 VAL N . 19844 1 412 . 1 1 115 115 VAL H H 1 8.3548 . . . . . . . . 115 VAL H . 19844 1 413 . 1 1 115 115 VAL CA C 13 60.4727 . . . . . . . . 115 VAL CA . 19844 1 414 . 1 1 115 115 VAL CB C 13 35.0601 . . . . . . . . 115 VAL CB . 19844 1 415 . 1 1 115 115 VAL N N 15 107.3164 . . . . . . . . 115 VAL N . 19844 1 416 . 1 1 116 116 HIS H H 1 7.4654 . . . . . . . . 116 HIS H . 19844 1 417 . 1 1 116 116 HIS CA C 13 56.1615 . . . . . . . . 116 HIS CA . 19844 1 418 . 1 1 116 116 HIS CB C 13 32.4641 . . . . . . . . 116 HIS CB . 19844 1 419 . 1 1 116 116 HIS N N 15 117.4994 . . . . . . . . 116 HIS N . 19844 1 420 . 1 1 117 117 PHE H H 1 9.4797 . . . . . . . . 117 PHE H . 19844 1 421 . 1 1 117 117 PHE CA C 13 57.9678 . . . . . . . . 117 PHE CA . 19844 1 422 . 1 1 117 117 PHE CB C 13 39.4712 . . . . . . . . 117 PHE CB . 19844 1 423 . 1 1 117 117 PHE N N 15 129.72 . . . . . . . . 117 PHE N . 19844 1 424 . 1 1 118 118 ASP H H 1 8.7719 . . . . . . . . 118 ASP H . 19844 1 425 . 1 1 118 118 ASP CA C 13 55.3916 . . . . . . . . 118 ASP CA . 19844 1 426 . 1 1 118 118 ASP CB C 13 44.6639 . . . . . . . . 118 ASP CB . 19844 1 427 . 1 1 118 118 ASP N N 15 130.8358 . . . . . . . . 118 ASP N . 19844 1 428 . 1 1 119 119 GLY H H 1 6.723 . . . . . . . . 119 GLY H . 19844 1 429 . 1 1 119 119 GLY CA C 13 47.003 . . . . . . . . 119 GLY CA . 19844 1 430 . 1 1 119 119 GLY N N 15 112.136 . . . . . . . . 119 GLY N . 19844 1 stop_ save_