data_50797 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50797 _Entry.Title ; Backbone assignment for yeast Yth1 zinc finger domain 4, 5 and C-terminal residues ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-01 _Entry.Accession_date 2021-03-01 _Entry.Last_release_date 2021-03-01 _Entry.Original_release_date 2021-03-01 _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 Conny Yu . W.H. . . 50797 2 Ananthanarayanan Kumar . . . . 50797 3 Juan Rodriguez-Molina . B. . . 50797 4 Xiaohan Li . . . . 50797 5 Stefan Freund . M.V. . . 50797 6 Lori Passmore . A. . . 50797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 240 50797 '15N chemical shifts' 76 50797 '1H chemical shifts' 76 50797 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 . . 2021-11-15 2021-03-01 update BMRB 'update entry citation' 50797 1 . . 2021-09-13 2021-03-01 original author 'original release' 50797 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50795 'Backbone assignment for yeast Fip1 (1-226)' 50797 BMRB 50796 'Backbone assignment for yeast Yth1 zinc finger domain 4' 50797 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50797 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34593603 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamics in Fip1 regulate eukaryotic mRNA 3' end processing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full 'Genes & development' _Citation.Journal_volume 35 _Citation.Journal_issue 21-22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1549-5477 _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 1510 _Citation.Page_last 1526 _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 Ananthanarayanan Kumar . . . . 50797 1 2 Conny Yu . W.H. . . 50797 1 3 Juan Rodriguez-Molina . B. . . 50797 1 4 Xiaohan Li . . . . 50797 1 5 Stefan Freund . M.V. . . 50797 1 6 Lori Passmore . A. . . 50797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50797 _Assembly.ID 1 _Assembly.Name Yth1ZF45C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Yth1ZF45C 1 $entity_1 . . yes native no no . . . 50797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50797 _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 ; GPLGSMASKIPKCENYEMGF CPLGSSCPRRHIKKVFCQRY MTGFCPLGKDECDMEHPQFI IPDEGSKLRIKRDDEINTRK MDEEKERRLNAIINGEV ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 1 112 GLY . 50797 1 2 113 PRO . 50797 1 3 114 LEU . 50797 1 4 115 GLY . 50797 1 5 116 SER . 50797 1 6 117 MET . 50797 1 7 118 ALA . 50797 1 8 119 SER . 50797 1 9 120 LYS . 50797 1 10 121 ILE . 50797 1 11 122 PRO . 50797 1 12 123 LYS . 50797 1 13 124 CYS . 50797 1 14 125 GLU . 50797 1 15 126 ASN . 50797 1 16 127 TYR . 50797 1 17 128 GLU . 50797 1 18 129 MET . 50797 1 19 130 GLY . 50797 1 20 131 PHE . 50797 1 21 132 CYS . 50797 1 22 133 PRO . 50797 1 23 134 LEU . 50797 1 24 135 GLY . 50797 1 25 136 SER . 50797 1 26 137 SER . 50797 1 27 138 CYS . 50797 1 28 139 PRO . 50797 1 29 140 ARG . 50797 1 30 141 ARG . 50797 1 31 142 HIS . 50797 1 32 143 ILE . 50797 1 33 144 LYS . 50797 1 34 145 LYS . 50797 1 35 146 VAL . 50797 1 36 147 PHE . 50797 1 37 148 CYS . 50797 1 38 149 GLN . 50797 1 39 150 ARG . 50797 1 40 151 TYR . 50797 1 41 152 MET . 50797 1 42 153 THR . 50797 1 43 154 GLY . 50797 1 44 155 PHE . 50797 1 45 156 CYS . 50797 1 46 157 PRO . 50797 1 47 158 LEU . 50797 1 48 159 GLY . 50797 1 49 160 LYS . 50797 1 50 161 ASP . 50797 1 51 162 GLU . 50797 1 52 163 CYS . 50797 1 53 164 ASP . 50797 1 54 165 MET . 50797 1 55 166 GLU . 50797 1 56 167 HIS . 50797 1 57 168 PRO . 50797 1 58 169 GLN . 50797 1 59 170 PHE . 50797 1 60 171 ILE . 50797 1 61 172 ILE . 50797 1 62 173 PRO . 50797 1 63 174 ASP . 50797 1 64 175 GLU . 50797 1 65 176 GLY . 50797 1 66 177 SER . 50797 1 67 178 LYS . 50797 1 68 179 LEU . 50797 1 69 180 ARG . 50797 1 70 181 ILE . 50797 1 71 182 LYS . 50797 1 72 183 ARG . 50797 1 73 184 ASP . 50797 1 74 185 ASP . 50797 1 75 186 GLU . 50797 1 76 187 ILE . 50797 1 77 188 ASN . 50797 1 78 189 THR . 50797 1 79 190 ARG . 50797 1 80 191 LYS . 50797 1 81 192 MET . 50797 1 82 193 ASP . 50797 1 83 194 GLU . 50797 1 84 195 GLU . 50797 1 85 196 LYS . 50797 1 86 197 GLU . 50797 1 87 198 ARG . 50797 1 88 199 ARG . 50797 1 89 200 LEU . 50797 1 90 201 ASN . 50797 1 91 202 ALA . 50797 1 92 203 ILE . 50797 1 93 204 ILE . 50797 1 94 205 ASN . 50797 1 95 206 GLY . 50797 1 96 207 GLU . 50797 1 97 208 VAL . 50797 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 . GLY 1 1 50797 1 . PRO 2 2 50797 1 . LEU 3 3 50797 1 . GLY 4 4 50797 1 . SER 5 5 50797 1 . MET 6 6 50797 1 . ALA 7 7 50797 1 . SER 8 8 50797 1 . LYS 9 9 50797 1 . ILE 10 10 50797 1 . PRO 11 11 50797 1 . LYS 12 12 50797 1 . CYS 13 13 50797 1 . GLU 14 14 50797 1 . ASN 15 15 50797 1 . TYR 16 16 50797 1 . GLU 17 17 50797 1 . MET 18 18 50797 1 . GLY 19 19 50797 1 . PHE 20 20 50797 1 . CYS 21 21 50797 1 . PRO 22 22 50797 1 . LEU 23 23 50797 1 . GLY 24 24 50797 1 . SER 25 25 50797 1 . SER 26 26 50797 1 . CYS 27 27 50797 1 . PRO 28 28 50797 1 . ARG 29 29 50797 1 . ARG 30 30 50797 1 . HIS 31 31 50797 1 . ILE 32 32 50797 1 . LYS 33 33 50797 1 . LYS 34 34 50797 1 . VAL 35 35 50797 1 . PHE 36 36 50797 1 . CYS 37 37 50797 1 . GLN 38 38 50797 1 . ARG 39 39 50797 1 . TYR 40 40 50797 1 . MET 41 41 50797 1 . THR 42 42 50797 1 . GLY 43 43 50797 1 . PHE 44 44 50797 1 . CYS 45 45 50797 1 . PRO 46 46 50797 1 . LEU 47 47 50797 1 . GLY 48 48 50797 1 . LYS 49 49 50797 1 . ASP 50 50 50797 1 . GLU 51 51 50797 1 . CYS 52 52 50797 1 . ASP 53 53 50797 1 . MET 54 54 50797 1 . GLU 55 55 50797 1 . HIS 56 56 50797 1 . PRO 57 57 50797 1 . GLN 58 58 50797 1 . PHE 59 59 50797 1 . ILE 60 60 50797 1 . ILE 61 61 50797 1 . PRO 62 62 50797 1 . ASP 63 63 50797 1 . GLU 64 64 50797 1 . GLY 65 65 50797 1 . SER 66 66 50797 1 . LYS 67 67 50797 1 . LEU 68 68 50797 1 . ARG 69 69 50797 1 . ILE 70 70 50797 1 . LYS 71 71 50797 1 . ARG 72 72 50797 1 . ASP 73 73 50797 1 . ASP 74 74 50797 1 . GLU 75 75 50797 1 . ILE 76 76 50797 1 . ASN 77 77 50797 1 . THR 78 78 50797 1 . ARG 79 79 50797 1 . LYS 80 80 50797 1 . MET 81 81 50797 1 . ASP 82 82 50797 1 . GLU 83 83 50797 1 . GLU 84 84 50797 1 . LYS 85 85 50797 1 . GLU 86 86 50797 1 . ARG 87 87 50797 1 . ARG 88 88 50797 1 . LEU 89 89 50797 1 . ASN 90 90 50797 1 . ALA 91 91 50797 1 . ILE 92 92 50797 1 . ILE 93 93 50797 1 . ASN 94 94 50797 1 . GLY 95 95 50797 1 . GLU 96 96 50797 1 . VAL 97 97 50797 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 50797 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 50797 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 50797 _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 . . pGEX6P-2 . . . 50797 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50797 _Sample.ID 1 _Sample.Name Yth1ZF45C _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 Yth1ZF45C '[U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 50797 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50797 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50797 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 50797 _Sample_condition_list.ID 1 _Sample_condition_list.Name Yth1ZF45C _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 50797 1 pH 7.4 . pH 50797 1 pressure 1 . atm 50797 1 temperature 298 . K 50797 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50797 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50797 1 processing . 50797 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50797 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.47 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50797 2 'data analysis' . 50797 2 'peak picking' . 50797 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50797 _Software.ID 3 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50797 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50797 _Software.ID 4 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50797 4 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 50797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz Avance II+' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50797 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 2 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 6 '3D HN(CAN)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 7 '3D HN(COCA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 8 '2D CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 9 '3D H(CA)CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 1 10 '3D H(CA)NCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50797 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 50797 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CS Reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect . . . . . . 50797 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50797 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 50797 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 50797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Yth1ZF45C _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 50797 1 2 '3D HN(CA)CO' . . . 50797 1 3 '3D HNCA' . . . 50797 1 4 '3D HNCACB' . . . 50797 1 5 '3D HN(CO)CACB' . . . 50797 1 8 '2D CON' . . . 50797 1 9 '3D H(CA)CON' . . . 50797 1 10 '3D H(CA)NCO' . . . 50797 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 . . 50797 1 2 $software_2 . . 50797 1 3 $software_3 . . 50797 1 4 $software_4 . . 50797 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 3 3 LEU CA C 13 54.31 . . . . . . . . 114 LEU CA . 50797 1 2 . 1 . 1 4 4 GLY H H 1 8.21 . . . . . . . . 115 GLY H . 50797 1 3 . 1 . 1 4 4 GLY C C 13 173.58 . . . . . . . . 115 GLY C . 50797 1 4 . 1 . 1 4 4 GLY CA C 13 44.33 . . . . . . . . 115 GLY CA . 50797 1 5 . 1 . 1 4 4 GLY N N 15 110.50 . . . . . . . . 115 GLY N . 50797 1 6 . 1 . 1 6 6 MET C C 13 175.49 . . . . . . . . 117 MET C . 50797 1 7 . 1 . 1 6 6 MET CA C 13 54.55 . . . . . . . . 117 MET CA . 50797 1 8 . 1 . 1 6 6 MET CB C 13 31.45 . . . . . . . . 117 MET CB . 50797 1 9 . 1 . 1 7 7 ALA H H 1 8.00 . . . . . . . . 118 ALA H . 50797 1 10 . 1 . 1 7 7 ALA C C 13 177.00 . . . . . . . . 118 ALA C . 50797 1 11 . 1 . 1 7 7 ALA CA C 13 52.01 . . . . . . . . 118 ALA CA . 50797 1 12 . 1 . 1 7 7 ALA CB C 13 18.20 . . . . . . . . 118 ALA CB . 50797 1 13 . 1 . 1 7 7 ALA N N 15 125.47 . . . . . . . . 118 ALA N . 50797 1 14 . 1 . 1 8 8 SER H H 1 8.00 . . . . . . . . 119 SER H . 50797 1 15 . 1 . 1 8 8 SER C C 13 173.69 . . . . . . . . 119 SER C . 50797 1 16 . 1 . 1 8 8 SER CA C 13 57.41 . . . . . . . . 119 SER CA . 50797 1 17 . 1 . 1 8 8 SER CB C 13 63.01 . . . . . . . . 119 SER CB . 50797 1 18 . 1 . 1 8 8 SER N N 15 115.52 . . . . . . . . 119 SER N . 50797 1 19 . 1 . 1 9 9 LYS H H 1 8.02 . . . . . . . . 120 LYS H . 50797 1 20 . 1 . 1 9 9 LYS C C 13 175.63 . . . . . . . . 120 LYS C . 50797 1 21 . 1 . 1 9 9 LYS CA C 13 55.26 . . . . . . . . 120 LYS CA . 50797 1 22 . 1 . 1 9 9 LYS CB C 13 31.86 . . . . . . . . 120 LYS CB . 50797 1 23 . 1 . 1 9 9 LYS N N 15 123.47 . . . . . . . . 120 LYS N . 50797 1 24 . 1 . 1 10 10 ILE H H 1 7.92 . . . . . . . . 121 ILE H . 50797 1 25 . 1 . 1 10 10 ILE C C 13 173.66 . . . . . . . . 121 ILE C . 50797 1 26 . 1 . 1 10 10 ILE CA C 13 57.83 . . . . . . . . 121 ILE CA . 50797 1 27 . 1 . 1 10 10 ILE CB C 13 37.52 . . . . . . . . 121 ILE CB . 50797 1 28 . 1 . 1 10 10 ILE N N 15 124.60 . . . . . . . . 121 ILE N . 50797 1 29 . 1 . 1 12 12 LYS C C 13 174.95 . . . . . . . . 123 LYS C . 50797 1 30 . 1 . 1 12 12 LYS CA C 13 55.52 . . . . . . . . 123 LYS CA . 50797 1 31 . 1 . 1 12 12 LYS CB C 13 32.22 . . . . . . . . 123 LYS CB . 50797 1 32 . 1 . 1 13 13 CYS H H 1 8.73 . . . . . . . . 124 CYS H . 50797 1 33 . 1 . 1 13 13 CYS C C 13 174.92 . . . . . . . . 124 CYS C . 50797 1 34 . 1 . 1 13 13 CYS CA C 13 58.84 . . . . . . . . 124 CYS CA . 50797 1 35 . 1 . 1 13 13 CYS CB C 13 32.20 . . . . . . . . 124 CYS CB . 50797 1 36 . 1 . 1 13 13 CYS N N 15 124.96 . . . . . . . . 124 CYS N . 50797 1 37 . 1 . 1 14 14 GLU H H 1 9.24 . . . . . . . . 125 GLU H . 50797 1 38 . 1 . 1 14 14 GLU C C 13 177.41 . . . . . . . . 125 GLU C . 50797 1 39 . 1 . 1 14 14 GLU CA C 13 58.70 . . . . . . . . 125 GLU CA . 50797 1 40 . 1 . 1 14 14 GLU CB C 13 28.30 . . . . . . . . 125 GLU CB . 50797 1 41 . 1 . 1 14 14 GLU N N 15 133.37 . . . . . . . . 125 GLU N . 50797 1 42 . 1 . 1 15 15 ASN H H 1 7.75 . . . . . . . . 126 ASN H . 50797 1 43 . 1 . 1 15 15 ASN C C 13 176.01 . . . . . . . . 126 ASN C . 50797 1 44 . 1 . 1 15 15 ASN CA C 13 55.38 . . . . . . . . 126 ASN CA . 50797 1 45 . 1 . 1 15 15 ASN CB C 13 36.56 . . . . . . . . 126 ASN CB . 50797 1 46 . 1 . 1 15 15 ASN N N 15 119.21 . . . . . . . . 126 ASN N . 50797 1 47 . 1 . 1 16 16 TYR C C 13 178.33 . . . . . . . . 127 TYR C . 50797 1 48 . 1 . 1 16 16 TYR CA C 13 61.53 . . . . . . . . 127 TYR CA . 50797 1 49 . 1 . 1 17 17 GLU H H 1 7.56 . . . . . . . . 128 GLU H . 50797 1 50 . 1 . 1 17 17 GLU C C 13 176.91 . . . . . . . . 128 GLU C . 50797 1 51 . 1 . 1 17 17 GLU CA C 13 58.21 . . . . . . . . 128 GLU CA . 50797 1 52 . 1 . 1 17 17 GLU N N 15 118.90 . . . . . . . . 128 GLU N . 50797 1 53 . 1 . 1 24 24 GLY C C 13 173.54 . . . . . . . . 135 GLY C . 50797 1 54 . 1 . 1 24 24 GLY CA C 13 44.33 . . . . . . . . 135 GLY CA . 50797 1 55 . 1 . 1 25 25 SER H H 1 8.02 . . . . . . . . 136 SER H . 50797 1 56 . 1 . 1 25 25 SER C C 13 174.13 . . . . . . . . 136 SER C . 50797 1 57 . 1 . 1 25 25 SER CA C 13 57.70 . . . . . . . . 136 SER CA . 50797 1 58 . 1 . 1 25 25 SER CB C 13 62.91 . . . . . . . . 136 SER CB . 50797 1 59 . 1 . 1 25 25 SER N N 15 116.28 . . . . . . . . 136 SER N . 50797 1 60 . 1 . 1 26 26 SER H H 1 7.70 . . . . . . . . 137 SER H . 50797 1 61 . 1 . 1 26 26 SER C C 13 172.35 . . . . . . . . 137 SER C . 50797 1 62 . 1 . 1 26 26 SER CA C 13 57.46 . . . . . . . . 137 SER CA . 50797 1 63 . 1 . 1 26 26 SER CB C 13 62.52 . . . . . . . . 137 SER CB . 50797 1 64 . 1 . 1 26 26 SER N N 15 116.31 . . . . . . . . 137 SER N . 50797 1 65 . 1 . 1 27 27 CYS H H 1 7.12 . . . . . . . . 138 CYS H . 50797 1 66 . 1 . 1 27 27 CYS C C 13 174.62 . . . . . . . . 138 CYS C . 50797 1 67 . 1 . 1 27 27 CYS CA C 13 57.07 . . . . . . . . 138 CYS CA . 50797 1 68 . 1 . 1 27 27 CYS CB C 13 30.11 . . . . . . . . 138 CYS CB . 50797 1 69 . 1 . 1 27 27 CYS N N 15 127.84 . . . . . . . . 138 CYS N . 50797 1 70 . 1 . 1 29 29 ARG H H 1 8.44 . . . . . . . . 140 ARG H . 50797 1 71 . 1 . 1 29 29 ARG C C 13 173.36 . . . . . . . . 140 ARG C . 50797 1 72 . 1 . 1 29 29 ARG CA C 13 54.94 . . . . . . . . 140 ARG CA . 50797 1 73 . 1 . 1 29 29 ARG CB C 13 31.32 . . . . . . . . 140 ARG CB . 50797 1 74 . 1 . 1 29 29 ARG N N 15 124.39 . . . . . . . . 140 ARG N . 50797 1 75 . 1 . 1 30 30 ARG H H 1 7.25 . . . . . . . . 141 ARG H . 50797 1 76 . 1 . 1 30 30 ARG C C 13 175.92 . . . . . . . . 141 ARG C . 50797 1 77 . 1 . 1 30 30 ARG CA C 13 55.02 . . . . . . . . 141 ARG CA . 50797 1 78 . 1 . 1 30 30 ARG N N 15 116.22 . . . . . . . . 141 ARG N . 50797 1 79 . 1 . 1 31 31 HIS C C 13 175.63 . . . . . . . . 142 HIS C . 50797 1 80 . 1 . 1 31 31 HIS CA C 13 55.23 . . . . . . . . 142 HIS CA . 50797 1 81 . 1 . 1 31 31 HIS CB C 13 31.69 . . . . . . . . 142 HIS CB . 50797 1 82 . 1 . 1 32 32 ILE H H 1 7.91 . . . . . . . . 143 ILE H . 50797 1 83 . 1 . 1 32 32 ILE C C 13 173.40 . . . . . . . . 143 ILE C . 50797 1 84 . 1 . 1 32 32 ILE CA C 13 57.61 . . . . . . . . 143 ILE CA . 50797 1 85 . 1 . 1 32 32 ILE CB C 13 37.82 . . . . . . . . 143 ILE CB . 50797 1 86 . 1 . 1 32 32 ILE N N 15 125.59 . . . . . . . . 143 ILE N . 50797 1 87 . 1 . 1 33 33 LYS C C 13 175.56 . . . . . . . . 144 LYS C . 50797 1 88 . 1 . 1 33 33 LYS CA C 13 55.62 . . . . . . . . 144 LYS CA . 50797 1 89 . 1 . 1 33 33 LYS CB C 13 32.27 . . . . . . . . 144 LYS CB . 50797 1 90 . 1 . 1 34 34 LYS H H 1 8.32 . . . . . . . . 145 LYS H . 50797 1 91 . 1 . 1 34 34 LYS C C 13 175.30 . . . . . . . . 145 LYS C . 50797 1 92 . 1 . 1 34 34 LYS CA C 13 55.52 . . . . . . . . 145 LYS CA . 50797 1 93 . 1 . 1 34 34 LYS CB C 13 32.34 . . . . . . . . 145 LYS CB . 50797 1 94 . 1 . 1 34 34 LYS N N 15 125.43 . . . . . . . . 145 LYS N . 50797 1 95 . 1 . 1 35 35 VAL H H 1 7.94 . . . . . . . . 146 VAL H . 50797 1 96 . 1 . 1 35 35 VAL C C 13 174.81 . . . . . . . . 146 VAL C . 50797 1 97 . 1 . 1 35 35 VAL CA C 13 61.12 . . . . . . . . 146 VAL CA . 50797 1 98 . 1 . 1 35 35 VAL CB C 13 32.34 . . . . . . . . 146 VAL CB . 50797 1 99 . 1 . 1 35 35 VAL N N 15 122.65 . . . . . . . . 146 VAL N . 50797 1 100 . 1 . 1 36 36 PHE H H 1 8.24 . . . . . . . . 147 PHE H . 50797 1 101 . 1 . 1 36 36 PHE C C 13 174.48 . . . . . . . . 147 PHE C . 50797 1 102 . 1 . 1 36 36 PHE CA C 13 56.95 . . . . . . . . 147 PHE CA . 50797 1 103 . 1 . 1 36 36 PHE CB C 13 39.03 . . . . . . . . 147 PHE CB . 50797 1 104 . 1 . 1 36 36 PHE N N 15 125.30 . . . . . . . . 147 PHE N . 50797 1 105 . 1 . 1 37 37 CYS C C 13 174.11 . . . . . . . . 148 CYS C . 50797 1 106 . 1 . 1 37 37 CYS CA C 13 59.96 . . . . . . . . 148 CYS CA . 50797 1 107 . 1 . 1 37 37 CYS CB C 13 29.33 . . . . . . . . 148 CYS CB . 50797 1 108 . 1 . 1 38 38 GLN H H 1 8.21 . . . . . . . . 149 GLN H . 50797 1 109 . 1 . 1 38 38 GLN C C 13 174.88 . . . . . . . . 149 GLN C . 50797 1 110 . 1 . 1 38 38 GLN CA C 13 55.33 . . . . . . . . 149 GLN CA . 50797 1 111 . 1 . 1 38 38 GLN CB C 13 28.39 . . . . . . . . 149 GLN CB . 50797 1 112 . 1 . 1 38 38 GLN N N 15 124.30 . . . . . . . . 149 GLN N . 50797 1 113 . 1 . 1 39 39 ARG H H 1 8.08 . . . . . . . . 150 ARG H . 50797 1 114 . 1 . 1 39 39 ARG C C 13 175.02 . . . . . . . . 150 ARG C . 50797 1 115 . 1 . 1 39 39 ARG CA C 13 55.50 . . . . . . . . 150 ARG CA . 50797 1 116 . 1 . 1 39 39 ARG CB C 13 30.02 . . . . . . . . 150 ARG CB . 50797 1 117 . 1 . 1 39 39 ARG N N 15 122.58 . . . . . . . . 150 ARG N . 50797 1 118 . 1 . 1 40 40 TYR H H 1 7.91 . . . . . . . . 151 TYR H . 50797 1 119 . 1 . 1 40 40 TYR C C 13 175.03 . . . . . . . . 151 TYR C . 50797 1 120 . 1 . 1 40 40 TYR CA C 13 56.76 . . . . . . . . 151 TYR CA . 50797 1 121 . 1 . 1 40 40 TYR CB C 13 37.77 . . . . . . . . 151 TYR CB . 50797 1 122 . 1 . 1 40 40 TYR N N 15 120.65 . . . . . . . . 151 TYR N . 50797 1 123 . 1 . 1 41 41 MET H H 1 8.02 . . . . . . . . 152 MET H . 50797 1 124 . 1 . 1 41 41 MET C C 13 175.33 . . . . . . . . 152 MET C . 50797 1 125 . 1 . 1 41 41 MET CA C 13 54.70 . . . . . . . . 152 MET CA . 50797 1 126 . 1 . 1 41 41 MET CB C 13 32.05 . . . . . . . . 152 MET CB . 50797 1 127 . 1 . 1 41 41 MET N N 15 122.20 . . . . . . . . 152 MET N . 50797 1 128 . 1 . 1 42 42 THR H H 1 7.89 . . . . . . . . 153 THR H . 50797 1 129 . 1 . 1 42 42 THR C C 13 174.12 . . . . . . . . 153 THR C . 50797 1 130 . 1 . 1 42 42 THR CA C 13 61.63 . . . . . . . . 153 THR CA . 50797 1 131 . 1 . 1 42 42 THR CB C 13 68.92 . . . . . . . . 153 THR CB . 50797 1 132 . 1 . 1 42 42 THR N N 15 115.22 . . . . . . . . 153 THR N . 50797 1 133 . 1 . 1 43 43 GLY H H 1 8.18 . . . . . . . . 154 GLY H . 50797 1 134 . 1 . 1 43 43 GLY C C 13 172.91 . . . . . . . . 154 GLY C . 50797 1 135 . 1 . 1 43 43 GLY CA C 13 44.24 . . . . . . . . 154 GLY CA . 50797 1 136 . 1 . 1 43 43 GLY N N 15 111.92 . . . . . . . . 154 GLY N . 50797 1 137 . 1 . 1 44 44 PHE H H 1 7.39 . . . . . . . . 155 PHE H . 50797 1 138 . 1 . 1 44 44 PHE C C 13 170.85 . . . . . . . . 155 PHE C . 50797 1 139 . 1 . 1 44 44 PHE CA C 13 57.41 . . . . . . . . 155 PHE CA . 50797 1 140 . 1 . 1 44 44 PHE CB C 13 39.51 . . . . . . . . 155 PHE CB . 50797 1 141 . 1 . 1 44 44 PHE N N 15 119.90 . . . . . . . . 155 PHE N . 50797 1 142 . 1 . 1 45 45 CYS H H 1 8.00 . . . . . . . . 156 CYS H . 50797 1 143 . 1 . 1 45 45 CYS C C 13 171.50 . . . . . . . . 156 CYS C . 50797 1 144 . 1 . 1 45 45 CYS CA C 13 55.33 . . . . . . . . 156 CYS CA . 50797 1 145 . 1 . 1 45 45 CYS CB C 13 26.92 . . . . . . . . 156 CYS CB . 50797 1 146 . 1 . 1 45 45 CYS N N 15 124.87 . . . . . . . . 156 CYS N . 50797 1 147 . 1 . 1 47 47 LEU H H 1 8.13 . . . . . . . . 158 LEU H . 50797 1 148 . 1 . 1 47 47 LEU C C 13 177.12 . . . . . . . . 158 LEU C . 50797 1 149 . 1 . 1 47 47 LEU CA C 13 54.31 . . . . . . . . 158 LEU CA . 50797 1 150 . 1 . 1 47 47 LEU CB C 13 41.30 . . . . . . . . 158 LEU CB . 50797 1 151 . 1 . 1 47 47 LEU N N 15 122.45 . . . . . . . . 158 LEU N . 50797 1 152 . 1 . 1 48 48 GLY H H 1 7.26 . . . . . . . . 159 GLY H . 50797 1 153 . 1 . 1 48 48 GLY C C 13 174.73 . . . . . . . . 159 GLY C . 50797 1 154 . 1 . 1 48 48 GLY CA C 13 46.13 . . . . . . . . 159 GLY CA . 50797 1 155 . 1 . 1 48 48 GLY N N 15 109.23 . . . . . . . . 159 GLY N . 50797 1 156 . 1 . 1 49 49 LYS H H 1 8.08 . . . . . . . . 160 LYS H . 50797 1 157 . 1 . 1 49 49 LYS C C 13 175.46 . . . . . . . . 160 LYS C . 50797 1 158 . 1 . 1 49 49 LYS CA C 13 55.28 . . . . . . . . 160 LYS CA . 50797 1 159 . 1 . 1 49 49 LYS CB C 13 32.10 . . . . . . . . 160 LYS CB . 50797 1 160 . 1 . 1 49 49 LYS N N 15 123.91 . . . . . . . . 160 LYS N . 50797 1 161 . 1 . 1 50 50 ASP H H 1 8.27 . . . . . . . . 161 ASP H . 50797 1 162 . 1 . 1 50 50 ASP C C 13 175.53 . . . . . . . . 161 ASP C . 50797 1 163 . 1 . 1 50 50 ASP CA C 13 53.56 . . . . . . . . 161 ASP CA . 50797 1 164 . 1 . 1 50 50 ASP CB C 13 40.24 . . . . . . . . 161 ASP CB . 50797 1 165 . 1 . 1 50 50 ASP N N 15 121.55 . . . . . . . . 161 ASP N . 50797 1 166 . 1 . 1 51 51 GLU H H 1 8.10 . . . . . . . . 162 GLU H . 50797 1 167 . 1 . 1 51 51 GLU C C 13 175.72 . . . . . . . . 162 GLU C . 50797 1 168 . 1 . 1 51 51 GLU CA C 13 56.08 . . . . . . . . 162 GLU CA . 50797 1 169 . 1 . 1 51 51 GLU CB C 13 29.29 . . . . . . . . 162 GLU CB . 50797 1 170 . 1 . 1 51 51 GLU N N 15 121.59 . . . . . . . . 162 GLU N . 50797 1 171 . 1 . 1 52 52 CYS H H 1 8.11 . . . . . . . . 163 CYS H . 50797 1 172 . 1 . 1 52 52 CYS C C 13 173.40 . . . . . . . . 163 CYS C . 50797 1 173 . 1 . 1 52 52 CYS CA C 13 57.89 . . . . . . . . 163 CYS CA . 50797 1 174 . 1 . 1 52 52 CYS CB C 13 27.26 . . . . . . . . 163 CYS CB . 50797 1 175 . 1 . 1 52 52 CYS N N 15 119.77 . . . . . . . . 163 CYS N . 50797 1 176 . 1 . 1 53 53 ASP H H 1 8.11 . . . . . . . . 164 ASP H . 50797 1 177 . 1 . 1 53 53 ASP C C 13 175.36 . . . . . . . . 164 ASP C . 50797 1 178 . 1 . 1 53 53 ASP CA C 13 53.47 . . . . . . . . 164 ASP CA . 50797 1 179 . 1 . 1 53 53 ASP CB C 13 40.09 . . . . . . . . 164 ASP CB . 50797 1 180 . 1 . 1 53 53 ASP N N 15 123.17 . . . . . . . . 164 ASP N . 50797 1 181 . 1 . 1 54 54 MET H H 1 7.97 . . . . . . . . 165 MET H . 50797 1 182 . 1 . 1 54 54 MET C C 13 170.54 . . . . . . . . 165 MET C . 50797 1 183 . 1 . 1 54 54 MET CA C 13 54.55 . . . . . . . . 165 MET CA . 50797 1 184 . 1 . 1 54 54 MET CB C 13 32.05 . . . . . . . . 165 MET CB . 50797 1 185 . 1 . 1 54 54 MET N N 15 121.21 . . . . . . . . 165 MET N . 50797 1 186 . 1 . 1 55 55 GLU H H 1 8.05 . . . . . . . . 166 GLU H . 50797 1 187 . 1 . 1 55 55 GLU C C 13 175.91 . . . . . . . . 166 GLU C . 50797 1 188 . 1 . 1 55 55 GLU CA C 13 55.74 . . . . . . . . 166 GLU CA . 50797 1 189 . 1 . 1 55 55 GLU CB C 13 29.29 . . . . . . . . 166 GLU CB . 50797 1 190 . 1 . 1 55 55 GLU N N 15 121.26 . . . . . . . . 166 GLU N . 50797 1 191 . 1 . 1 56 56 HIS H H 1 7.21 . . . . . . . . 167 HIS H . 50797 1 192 . 1 . 1 56 56 HIS C C 13 172.74 . . . . . . . . 167 HIS C . 50797 1 193 . 1 . 1 56 56 HIS N N 15 106.90 . . . . . . . . 167 HIS N . 50797 1 194 . 1 . 1 57 57 PRO H H 1 8.44 . . . . . . . . 168 PRO H . 50797 1 195 . 1 . 1 57 57 PRO C C 13 172.65 . . . . . . . . 168 PRO C . 50797 1 196 . 1 . 1 57 57 PRO CA C 13 59.59 . . . . . . . . 168 PRO CA . 50797 1 197 . 1 . 1 57 57 PRO N N 15 126.33 . . . . . . . . 168 PRO N . 50797 1 198 . 1 . 1 58 58 GLN H H 1 8.46 . . . . . . . . 169 GLN H . 50797 1 199 . 1 . 1 58 58 GLN C C 13 174.69 . . . . . . . . 169 GLN C . 50797 1 200 . 1 . 1 58 58 GLN CA C 13 54.87 . . . . . . . . 169 GLN CA . 50797 1 201 . 1 . 1 58 58 GLN CB C 13 28.66 . . . . . . . . 169 GLN CB . 50797 1 202 . 1 . 1 58 58 GLN N N 15 120.99 . . . . . . . . 169 GLN N . 50797 1 203 . 1 . 1 59 59 PHE H H 1 7.80 . . . . . . . . 170 PHE H . 50797 1 204 . 1 . 1 59 59 PHE C C 13 174.13 . . . . . . . . 170 PHE C . 50797 1 205 . 1 . 1 59 59 PHE CA C 13 56.64 . . . . . . . . 170 PHE CA . 50797 1 206 . 1 . 1 59 59 PHE CB C 13 38.88 . . . . . . . . 170 PHE CB . 50797 1 207 . 1 . 1 59 59 PHE N N 15 120.21 . . . . . . . . 170 PHE N . 50797 1 208 . 1 . 1 60 60 ILE H H 1 7.83 . . . . . . . . 171 ILE H . 50797 1 209 . 1 . 1 60 60 ILE C C 13 174.68 . . . . . . . . 171 ILE C . 50797 1 210 . 1 . 1 60 60 ILE CA C 13 59.54 . . . . . . . . 171 ILE CA . 50797 1 211 . 1 . 1 60 60 ILE CB C 13 38.16 . . . . . . . . 171 ILE CB . 50797 1 212 . 1 . 1 60 60 ILE N N 15 124.28 . . . . . . . . 171 ILE N . 50797 1 213 . 1 . 1 61 61 ILE H H 1 8.29 . . . . . . . . 172 ILE H . 50797 1 214 . 1 . 1 61 61 ILE C C 13 175.55 . . . . . . . . 172 ILE C . 50797 1 215 . 1 . 1 61 61 ILE CA C 13 55.69 . . . . . . . . 172 ILE CA . 50797 1 216 . 1 . 1 61 61 ILE CB C 13 36.53 . . . . . . . . 172 ILE CB . 50797 1 217 . 1 . 1 61 61 ILE N N 15 128.51 . . . . . . . . 172 ILE N . 50797 1 218 . 1 . 1 62 62 PRO H H 1 8.93 . . . . . . . . 173 PRO H . 50797 1 219 . 1 . 1 62 62 PRO C C 13 175.55 . . . . . . . . 173 PRO C . 50797 1 220 . 1 . 1 62 62 PRO CA C 13 61.38 . . . . . . . . 173 PRO CA . 50797 1 221 . 1 . 1 62 62 PRO CB C 13 31.40 . . . . . . . . 173 PRO CB . 50797 1 222 . 1 . 1 62 62 PRO N N 15 125.21 . . . . . . . . 173 PRO N . 50797 1 223 . 1 . 1 63 63 ASP H H 1 8.19 . . . . . . . . 174 ASP H . 50797 1 224 . 1 . 1 63 63 ASP C C 13 175.78 . . . . . . . . 174 ASP C . 50797 1 225 . 1 . 1 63 63 ASP CA C 13 53.25 . . . . . . . . 174 ASP CA . 50797 1 226 . 1 . 1 63 63 ASP CB C 13 40.38 . . . . . . . . 174 ASP CB . 50797 1 227 . 1 . 1 63 63 ASP N N 15 121.56 . . . . . . . . 174 ASP N . 50797 1 228 . 1 . 1 64 64 GLU H H 1 8.35 . . . . . . . . 175 GLU H . 50797 1 229 . 1 . 1 64 64 GLU C C 13 176.70 . . . . . . . . 175 GLU C . 50797 1 230 . 1 . 1 64 64 GLU CA C 13 56.52 . . . . . . . . 175 GLU CA . 50797 1 231 . 1 . 1 64 64 GLU CB C 13 29.02 . . . . . . . . 175 GLU CB . 50797 1 232 . 1 . 1 64 64 GLU N N 15 122.97 . . . . . . . . 175 GLU N . 50797 1 233 . 1 . 1 65 65 GLY H H 1 8.32 . . . . . . . . 176 GLY H . 50797 1 234 . 1 . 1 65 65 GLY C C 13 174.04 . . . . . . . . 176 GLY C . 50797 1 235 . 1 . 1 65 65 GLY CA C 13 44.82 . . . . . . . . 176 GLY CA . 50797 1 236 . 1 . 1 65 65 GLY N N 15 109.84 . . . . . . . . 176 GLY N . 50797 1 237 . 1 . 1 66 66 SER H H 1 7.89 . . . . . . . . 177 SER H . 50797 1 238 . 1 . 1 66 66 SER C C 13 174.32 . . . . . . . . 177 SER C . 50797 1 239 . 1 . 1 66 66 SER CA C 13 58.26 . . . . . . . . 177 SER CA . 50797 1 240 . 1 . 1 66 66 SER CB C 13 62.76 . . . . . . . . 177 SER CB . 50797 1 241 . 1 . 1 66 66 SER N N 15 116.48 . . . . . . . . 177 SER N . 50797 1 242 . 1 . 1 67 67 LYS H H 1 7.97 . . . . . . . . 178 LYS H . 50797 1 243 . 1 . 1 67 67 LYS C C 13 176.12 . . . . . . . . 178 LYS C . 50797 1 244 . 1 . 1 67 67 LYS CA C 13 56.18 . . . . . . . . 178 LYS CA . 50797 1 245 . 1 . 1 67 67 LYS CB C 13 31.66 . . . . . . . . 178 LYS CB . 50797 1 246 . 1 . 1 67 67 LYS N N 15 123.23 . . . . . . . . 178 LYS N . 50797 1 247 . 1 . 1 68 68 LEU H H 1 7.80 . . . . . . . . 179 LEU H . 50797 1 248 . 1 . 1 68 68 LEU C C 13 176.54 . . . . . . . . 179 LEU C . 50797 1 249 . 1 . 1 68 68 LEU CA C 13 54.59 . . . . . . . . 179 LEU CA . 50797 1 250 . 1 . 1 68 68 LEU CB C 13 41.26 . . . . . . . . 179 LEU CB . 50797 1 251 . 1 . 1 68 68 LEU N N 15 122.14 . . . . . . . . 179 LEU N . 50797 1 252 . 1 . 1 69 69 ARG H H 1 7.89 . . . . . . . . 180 ARG H . 50797 1 253 . 1 . 1 69 69 ARG C C 13 175.33 . . . . . . . . 180 ARG C . 50797 1 254 . 1 . 1 69 69 ARG CA C 13 55.41 . . . . . . . . 180 ARG CA . 50797 1 255 . 1 . 1 69 69 ARG N N 15 122.65 . . . . . . . . 180 ARG N . 50797 1 256 . 1 . 1 70 70 ILE H H 1 7.89 . . . . . . . . 181 ILE H . 50797 1 257 . 1 . 1 70 70 ILE C C 13 175.44 . . . . . . . . 181 ILE C . 50797 1 258 . 1 . 1 70 70 ILE CA C 13 60.51 . . . . . . . . 181 ILE CA . 50797 1 259 . 1 . 1 70 70 ILE CB C 13 37.96 . . . . . . . . 181 ILE CB . 50797 1 260 . 1 . 1 70 70 ILE N N 15 123.02 . . . . . . . . 181 ILE N . 50797 1 261 . 1 . 1 71 71 LYS H H 1 8.11 . . . . . . . . 182 LYS H . 50797 1 262 . 1 . 1 71 71 LYS C C 13 175.90 . . . . . . . . 182 LYS C . 50797 1 263 . 1 . 1 71 71 LYS CA C 13 55.89 . . . . . . . . 182 LYS CA . 50797 1 264 . 1 . 1 71 71 LYS CB C 13 32.10 . . . . . . . . 182 LYS CB . 50797 1 265 . 1 . 1 71 71 LYS N N 15 126.31 . . . . . . . . 182 LYS N . 50797 1 266 . 1 . 1 72 72 ARG H H 1 8.28 . . . . . . . . 183 ARG H . 50797 1 267 . 1 . 1 72 72 ARG C C 13 175.87 . . . . . . . . 183 ARG C . 50797 1 268 . 1 . 1 72 72 ARG CA C 13 55.60 . . . . . . . . 183 ARG CA . 50797 1 269 . 1 . 1 72 72 ARG CB C 13 30.11 . . . . . . . . 183 ARG CB . 50797 1 270 . 1 . 1 72 72 ARG N N 15 123.77 . . . . . . . . 183 ARG N . 50797 1 271 . 1 . 1 73 73 ASP H H 1 8.24 . . . . . . . . 184 ASP H . 50797 1 272 . 1 . 1 73 73 ASP C C 13 175.81 . . . . . . . . 184 ASP C . 50797 1 273 . 1 . 1 73 73 ASP CA C 13 54.36 . . . . . . . . 184 ASP CA . 50797 1 274 . 1 . 1 73 73 ASP CB C 13 39.80 . . . . . . . . 184 ASP CB . 50797 1 275 . 1 . 1 73 73 ASP N N 15 121.91 . . . . . . . . 184 ASP N . 50797 1 276 . 1 . 1 74 74 ASP H H 1 8.05 . . . . . . . . 185 ASP H . 50797 1 277 . 1 . 1 74 74 ASP C C 13 176.08 . . . . . . . . 185 ASP C . 50797 1 278 . 1 . 1 74 74 ASP CA C 13 54.17 . . . . . . . . 185 ASP CA . 50797 1 279 . 1 . 1 74 74 ASP CB C 13 40.04 . . . . . . . . 185 ASP CB . 50797 1 280 . 1 . 1 74 74 ASP N N 15 120.43 . . . . . . . . 185 ASP N . 50797 1 281 . 1 . 1 75 75 GLU H H 1 7.92 . . . . . . . . 186 GLU H . 50797 1 282 . 1 . 1 75 75 GLU C C 13 176.47 . . . . . . . . 186 GLU C . 50797 1 283 . 1 . 1 75 75 GLU CA C 13 56.56 . . . . . . . . 186 GLU CA . 50797 1 284 . 1 . 1 75 75 GLU CB C 13 29.14 . . . . . . . . 186 GLU CB . 50797 1 285 . 1 . 1 75 75 GLU N N 15 121.35 . . . . . . . . 186 GLU N . 50797 1 286 . 1 . 1 76 76 ILE H H 1 7.83 . . . . . . . . 187 ILE H . 50797 1 287 . 1 . 1 76 76 ILE C C 13 175.89 . . . . . . . . 187 ILE C . 50797 1 288 . 1 . 1 76 76 ILE CA C 13 61.58 . . . . . . . . 187 ILE CA . 50797 1 289 . 1 . 1 76 76 ILE CB C 13 37.52 . . . . . . . . 187 ILE CB . 50797 1 290 . 1 . 1 76 76 ILE N N 15 121.54 . . . . . . . . 187 ILE N . 50797 1 291 . 1 . 1 77 77 ASN H H 1 8.35 . . . . . . . . 188 ASN H . 50797 1 292 . 1 . 1 77 77 ASN C C 13 175.50 . . . . . . . . 188 ASN C . 50797 1 293 . 1 . 1 77 77 ASN CA C 13 53.80 . . . . . . . . 188 ASN CA . 50797 1 294 . 1 . 1 77 77 ASN CB C 13 37.79 . . . . . . . . 188 ASN CB . 50797 1 295 . 1 . 1 77 77 ASN N N 15 130.25 . . . . . . . . 188 ASN N . 50797 1 296 . 1 . 1 78 78 THR H H 1 7.97 . . . . . . . . 189 THR H . 50797 1 297 . 1 . 1 78 78 THR C C 13 174.29 . . . . . . . . 189 THR C . 50797 1 298 . 1 . 1 78 78 THR CA C 13 62.84 . . . . . . . . 189 THR CA . 50797 1 299 . 1 . 1 78 78 THR CB C 13 68.43 . . . . . . . . 189 THR CB . 50797 1 300 . 1 . 1 78 78 THR N N 15 116.25 . . . . . . . . 189 THR N . 50797 1 301 . 1 . 1 79 79 ARG H H 1 7.91 . . . . . . . . 190 ARG H . 50797 1 302 . 1 . 1 79 79 ARG C C 13 176.66 . . . . . . . . 190 ARG C . 50797 1 303 . 1 . 1 79 79 ARG CA C 13 56.95 . . . . . . . . 190 ARG CA . 50797 1 304 . 1 . 1 79 79 ARG CB C 13 29.24 . . . . . . . . 190 ARG CB . 50797 1 305 . 1 . 1 79 79 ARG N N 15 123.18 . . . . . . . . 190 ARG N . 50797 1 306 . 1 . 1 80 80 LYS H H 1 8.04 . . . . . . . . 191 LYS H . 50797 1 307 . 1 . 1 80 80 LYS C C 13 176.23 . . . . . . . . 191 LYS C . 50797 1 308 . 1 . 1 80 80 LYS CA C 13 56.61 . . . . . . . . 191 LYS CA . 50797 1 309 . 1 . 1 80 80 LYS CB C 13 30.79 . . . . . . . . 191 LYS CB . 50797 1 310 . 1 . 1 80 80 LYS N N 15 117.53 . . . . . . . . 191 LYS N . 50797 1 311 . 1 . 1 81 81 MET H H 1 8.68 . . . . . . . . 192 MET H . 50797 1 312 . 1 . 1 81 81 MET C C 13 172.64 . . . . . . . . 192 MET C . 50797 1 313 . 1 . 1 81 81 MET CA C 13 56.64 . . . . . . . . 192 MET CA . 50797 1 314 . 1 . 1 81 81 MET CB C 13 31.20 . . . . . . . . 192 MET CB . 50797 1 315 . 1 . 1 81 81 MET N N 15 127.14 . . . . . . . . 192 MET N . 50797 1 316 . 1 . 1 82 82 ASP H H 1 8.16 . . . . . . . . 193 ASP H . 50797 1 317 . 1 . 1 82 82 ASP C C 13 176.92 . . . . . . . . 193 ASP C . 50797 1 318 . 1 . 1 82 82 ASP CA C 13 55.16 . . . . . . . . 193 ASP CA . 50797 1 319 . 1 . 1 82 82 ASP CB C 13 39.46 . . . . . . . . 193 ASP CB . 50797 1 320 . 1 . 1 82 82 ASP N N 15 122.44 . . . . . . . . 193 ASP N . 50797 1 321 . 1 . 1 83 83 GLU H H 1 8.13 . . . . . . . . 194 GLU H . 50797 1 322 . 1 . 1 83 83 GLU C C 13 177.60 . . . . . . . . 194 GLU C . 50797 1 323 . 1 . 1 83 83 GLU CA C 13 57.78 . . . . . . . . 194 GLU CA . 50797 1 324 . 1 . 1 83 83 GLU CB C 13 28.81 . . . . . . . . 194 GLU CB . 50797 1 325 . 1 . 1 83 83 GLU N N 15 122.08 . . . . . . . . 194 GLU N . 50797 1 326 . 1 . 1 84 84 GLU H H 1 8.35 . . . . . . . . 195 GLU H . 50797 1 327 . 1 . 1 84 84 GLU C C 13 174.95 . . . . . . . . 195 GLU C . 50797 1 328 . 1 . 1 84 84 GLU CA C 13 55.45 . . . . . . . . 195 GLU CA . 50797 1 329 . 1 . 1 84 84 GLU CB C 13 29.24 . . . . . . . . 195 GLU CB . 50797 1 330 . 1 . 1 84 84 GLU N N 15 124.25 . . . . . . . . 195 GLU N . 50797 1 331 . 1 . 1 85 85 LYS H H 1 7.78 . . . . . . . . 196 LYS H . 50797 1 332 . 1 . 1 85 85 LYS C C 13 177.49 . . . . . . . . 196 LYS C . 50797 1 333 . 1 . 1 85 85 LYS CA C 13 58.02 . . . . . . . . 196 LYS CA . 50797 1 334 . 1 . 1 85 85 LYS CB C 13 31.66 . . . . . . . . 196 LYS CB . 50797 1 335 . 1 . 1 85 85 LYS N N 15 121.37 . . . . . . . . 196 LYS N . 50797 1 336 . 1 . 1 86 86 GLU H H 1 7.82 . . . . . . . . 197 GLU H . 50797 1 337 . 1 . 1 86 86 GLU C C 13 177.11 . . . . . . . . 197 GLU C . 50797 1 338 . 1 . 1 86 86 GLU CA C 13 57.63 . . . . . . . . 197 GLU CA . 50797 1 339 . 1 . 1 86 86 GLU CB C 13 28.85 . . . . . . . . 197 GLU CB . 50797 1 340 . 1 . 1 86 86 GLU N N 15 120.07 . . . . . . . . 197 GLU N . 50797 1 341 . 1 . 1 87 87 ARG C C 13 177.10 . . . . . . . . 198 ARG C . 50797 1 342 . 1 . 1 87 87 ARG CA C 13 57.61 . . . . . . . . 198 ARG CA . 50797 1 343 . 1 . 1 87 87 ARG CB C 13 28.78 . . . . . . . . 198 ARG CB . 50797 1 344 . 1 . 1 88 88 ARG H H 1 7.83 . . . . . . . . 199 ARG H . 50797 1 345 . 1 . 1 88 88 ARG C C 13 177.68 . . . . . . . . 199 ARG C . 50797 1 346 . 1 . 1 88 88 ARG CA C 13 57.44 . . . . . . . . 199 ARG CA . 50797 1 347 . 1 . 1 88 88 ARG CB C 13 29.53 . . . . . . . . 199 ARG CB . 50797 1 348 . 1 . 1 88 88 ARG N N 15 120.69 . . . . . . . . 199 ARG N . 50797 1 349 . 1 . 1 89 89 LEU H H 1 7.94 . . . . . . . . 200 LEU H . 50797 1 350 . 1 . 1 89 89 LEU C C 13 177.34 . . . . . . . . 200 LEU C . 50797 1 351 . 1 . 1 89 89 LEU CA C 13 56.71 . . . . . . . . 200 LEU CA . 50797 1 352 . 1 . 1 89 89 LEU CB C 13 38.83 . . . . . . . . 200 LEU CB . 50797 1 353 . 1 . 1 89 89 LEU N N 15 121.62 . . . . . . . . 200 LEU N . 50797 1 354 . 1 . 1 90 90 ASN H H 1 7.94 . . . . . . . . 201 ASN H . 50797 1 355 . 1 . 1 90 90 ASN C C 13 174.78 . . . . . . . . 201 ASN C . 50797 1 356 . 1 . 1 90 90 ASN CA C 13 53.56 . . . . . . . . 201 ASN CA . 50797 1 357 . 1 . 1 90 90 ASN CB C 13 37.67 . . . . . . . . 201 ASN CB . 50797 1 358 . 1 . 1 90 90 ASN N N 15 118.14 . . . . . . . . 201 ASN N . 50797 1 359 . 1 . 1 91 91 ALA H H 1 7.64 . . . . . . . . 202 ALA H . 50797 1 360 . 1 . 1 91 91 ALA C C 13 177.61 . . . . . . . . 202 ALA C . 50797 1 361 . 1 . 1 91 91 ALA CA C 13 52.69 . . . . . . . . 202 ALA CA . 50797 1 362 . 1 . 1 91 91 ALA CB C 13 17.86 . . . . . . . . 202 ALA CB . 50797 1 363 . 1 . 1 91 91 ALA N N 15 123.56 . . . . . . . . 202 ALA N . 50797 1 364 . 1 . 1 92 92 ILE H H 1 7.61 . . . . . . . . 203 ILE H . 50797 1 365 . 1 . 1 92 92 ILE C C 13 176.83 . . . . . . . . 203 ILE C . 50797 1 366 . 1 . 1 92 92 ILE CA C 13 61.63 . . . . . . . . 203 ILE CA . 50797 1 367 . 1 . 1 92 92 ILE CB C 13 37.43 . . . . . . . . 203 ILE CB . 50797 1 368 . 1 . 1 92 92 ILE N N 15 120.14 . . . . . . . . 203 ILE N . 50797 1 369 . 1 . 1 93 93 ILE H H 1 7.89 . . . . . . . . 204 ILE H . 50797 1 370 . 1 . 1 93 93 ILE C C 13 175.75 . . . . . . . . 204 ILE C . 50797 1 371 . 1 . 1 93 93 ILE CA C 13 61.36 . . . . . . . . 204 ILE CA . 50797 1 372 . 1 . 1 93 93 ILE CB C 13 37.43 . . . . . . . . 204 ILE CB . 50797 1 373 . 1 . 1 93 93 ILE N N 15 124.59 . . . . . . . . 204 ILE N . 50797 1 374 . 1 . 1 94 94 ASN H H 1 8.15 . . . . . . . . 205 ASN H . 50797 1 375 . 1 . 1 94 94 ASN C C 13 174.74 . . . . . . . . 205 ASN C . 50797 1 376 . 1 . 1 94 94 ASN CA C 13 52.71 . . . . . . . . 205 ASN CA . 50797 1 377 . 1 . 1 94 94 ASN CB C 13 37.96 . . . . . . . . 205 ASN CB . 50797 1 378 . 1 . 1 94 94 ASN N N 15 121.22 . . . . . . . . 205 ASN N . 50797 1 379 . 1 . 1 95 95 GLY H H 1 7.93 . . . . . . . . 206 GLY H . 50797 1 380 . 1 . 1 95 95 GLY C C 13 173.20 . . . . . . . . 206 GLY C . 50797 1 381 . 1 . 1 95 95 GLY CA C 13 44.52 . . . . . . . . 206 GLY CA . 50797 1 382 . 1 . 1 95 95 GLY N N 15 109.88 . . . . . . . . 206 GLY N . 50797 1 383 . 1 . 1 96 96 GLU H H 1 8.00 . . . . . . . . 207 GLU H . 50797 1 384 . 1 . 1 96 96 GLU C C 13 174.86 . . . . . . . . 207 GLU C . 50797 1 385 . 1 . 1 96 96 GLU CA C 13 55.50 . . . . . . . . 207 GLU CA . 50797 1 386 . 1 . 1 96 96 GLU CB C 13 29.34 . . . . . . . . 207 GLU CB . 50797 1 387 . 1 . 1 96 96 GLU N N 15 121.21 . . . . . . . . 207 GLU N . 50797 1 388 . 1 . 1 97 97 VAL H H 1 7.48 . . . . . . . . 208 VAL H . 50797 1 389 . 1 . 1 97 97 VAL C C 13 175.48 . . . . . . . . 208 VAL C . 50797 1 390 . 1 . 1 97 97 VAL CA C 13 62.60 . . . . . . . . 208 VAL CA . 50797 1 391 . 1 . 1 97 97 VAL CB C 13 32.44 . . . . . . . . 208 VAL CB . 50797 1 392 . 1 . 1 97 97 VAL N N 15 124.92 . . . . . . . . 208 VAL N . 50797 1 stop_ save_