data_51475 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51475 _Entry.Title ; 53BP1 1140-1225 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-26 _Entry.Accession_date 2022-05-26 _Entry.Last_release_date 2022-05-26 _Entry.Original_release_date 2022-05-26 _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 Jesse Howe . J. . 0000-0001-9817-0902 51475 2 Austin Weeks . . . . 51475 3 Patrick Reardon . . . . 51475 4 Elisar Barbar . . . . 51475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 207 51475 '15N chemical shifts' 73 51475 '1H chemical shifts' 73 51475 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-12-12 . original BMRB . 51475 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51475 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36335430 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Multivalent binding of the hub protein LC8 at a newly discovered site in 53BP1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 121 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 4433 _Citation.Page_last 4442 _Citation.Year 2022 _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 Jesse Howe . J. . . 51475 1 2 Austin Weeks . . . . 51475 1 3 Patrick Reardon . . . . 51475 1 4 Elisar Barbar . . . . 51475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51475 _Assembly.ID 1 _Assembly.Name 53BP1 _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 53BP1 1 $entity_1 . . yes native yes no . . . 51475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51475 _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 ; GAHSKALIERPSQNNIGIQT MESSLRVPETVSAATQTIKN VSEQGTSTVDQNFGKQDATV QTERGSGEKPVSAPGDDTES LHSQGEEEF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1137 GLY . 51475 1 2 1138 ALA . 51475 1 3 1139 HIS . 51475 1 4 1140 SER . 51475 1 5 1141 LYS . 51475 1 6 1142 ALA . 51475 1 7 1143 LEU . 51475 1 8 1144 ILE . 51475 1 9 1145 GLU . 51475 1 10 1146 ARG . 51475 1 11 1147 PRO . 51475 1 12 1148 SER . 51475 1 13 1149 GLN . 51475 1 14 1150 ASN . 51475 1 15 1151 ASN . 51475 1 16 1152 ILE . 51475 1 17 1153 GLY . 51475 1 18 1154 ILE . 51475 1 19 1155 GLN . 51475 1 20 1156 THR . 51475 1 21 1157 MET . 51475 1 22 1158 GLU . 51475 1 23 1159 SER . 51475 1 24 1160 SER . 51475 1 25 1161 LEU . 51475 1 26 1162 ARG . 51475 1 27 1163 VAL . 51475 1 28 1164 PRO . 51475 1 29 1165 GLU . 51475 1 30 1166 THR . 51475 1 31 1167 VAL . 51475 1 32 1168 SER . 51475 1 33 1169 ALA . 51475 1 34 1170 ALA . 51475 1 35 1171 THR . 51475 1 36 1172 GLN . 51475 1 37 1173 THR . 51475 1 38 1174 ILE . 51475 1 39 1175 LYS . 51475 1 40 1176 ASN . 51475 1 41 1177 VAL . 51475 1 42 1178 SER . 51475 1 43 1179 GLU . 51475 1 44 1180 GLN . 51475 1 45 1181 GLY . 51475 1 46 1182 THR . 51475 1 47 1183 SER . 51475 1 48 1184 THR . 51475 1 49 1185 VAL . 51475 1 50 1186 ASP . 51475 1 51 1187 GLN . 51475 1 52 1188 ASN . 51475 1 53 1189 PHE . 51475 1 54 1190 GLY . 51475 1 55 1191 LYS . 51475 1 56 1192 GLN . 51475 1 57 1193 ASP . 51475 1 58 1194 ALA . 51475 1 59 1195 THR . 51475 1 60 1196 VAL . 51475 1 61 1197 GLN . 51475 1 62 1198 THR . 51475 1 63 1199 GLU . 51475 1 64 1200 ARG . 51475 1 65 1201 GLY . 51475 1 66 1202 SER . 51475 1 67 1203 GLY . 51475 1 68 1204 GLU . 51475 1 69 1205 LYS . 51475 1 70 1206 PRO . 51475 1 71 1207 VAL . 51475 1 72 1208 SER . 51475 1 73 1209 ALA . 51475 1 74 1210 PRO . 51475 1 75 1211 GLY . 51475 1 76 1212 ASP . 51475 1 77 1213 ASP . 51475 1 78 1214 THR . 51475 1 79 1215 GLU . 51475 1 80 1216 SER . 51475 1 81 1217 LEU . 51475 1 82 1218 HIS . 51475 1 83 1219 SER . 51475 1 84 1220 GLN . 51475 1 85 1221 GLY . 51475 1 86 1222 GLU . 51475 1 87 1223 GLU . 51475 1 88 1224 GLU . 51475 1 89 1225 PHE . 51475 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 51475 1 . ALA 2 2 51475 1 . HIS 3 3 51475 1 . SER 4 4 51475 1 . LYS 5 5 51475 1 . ALA 6 6 51475 1 . LEU 7 7 51475 1 . ILE 8 8 51475 1 . GLU 9 9 51475 1 . ARG 10 10 51475 1 . PRO 11 11 51475 1 . SER 12 12 51475 1 . GLN 13 13 51475 1 . ASN 14 14 51475 1 . ASN 15 15 51475 1 . ILE 16 16 51475 1 . GLY 17 17 51475 1 . ILE 18 18 51475 1 . GLN 19 19 51475 1 . THR 20 20 51475 1 . MET 21 21 51475 1 . GLU 22 22 51475 1 . SER 23 23 51475 1 . SER 24 24 51475 1 . LEU 25 25 51475 1 . ARG 26 26 51475 1 . VAL 27 27 51475 1 . PRO 28 28 51475 1 . GLU 29 29 51475 1 . THR 30 30 51475 1 . VAL 31 31 51475 1 . SER 32 32 51475 1 . ALA 33 33 51475 1 . ALA 34 34 51475 1 . THR 35 35 51475 1 . GLN 36 36 51475 1 . THR 37 37 51475 1 . ILE 38 38 51475 1 . LYS 39 39 51475 1 . ASN 40 40 51475 1 . VAL 41 41 51475 1 . SER 42 42 51475 1 . GLU 43 43 51475 1 . GLN 44 44 51475 1 . GLY 45 45 51475 1 . THR 46 46 51475 1 . SER 47 47 51475 1 . THR 48 48 51475 1 . VAL 49 49 51475 1 . ASP 50 50 51475 1 . GLN 51 51 51475 1 . ASN 52 52 51475 1 . PHE 53 53 51475 1 . GLY 54 54 51475 1 . LYS 55 55 51475 1 . GLN 56 56 51475 1 . ASP 57 57 51475 1 . ALA 58 58 51475 1 . THR 59 59 51475 1 . VAL 60 60 51475 1 . GLN 61 61 51475 1 . THR 62 62 51475 1 . GLU 63 63 51475 1 . ARG 64 64 51475 1 . GLY 65 65 51475 1 . SER 66 66 51475 1 . GLY 67 67 51475 1 . GLU 68 68 51475 1 . LYS 69 69 51475 1 . PRO 70 70 51475 1 . VAL 71 71 51475 1 . SER 72 72 51475 1 . ALA 73 73 51475 1 . PRO 74 74 51475 1 . GLY 75 75 51475 1 . ASP 76 76 51475 1 . ASP 77 77 51475 1 . THR 78 78 51475 1 . GLU 79 79 51475 1 . SER 80 80 51475 1 . LEU 81 81 51475 1 . HIS 82 82 51475 1 . SER 83 83 51475 1 . GLN 84 84 51475 1 . GLY 85 85 51475 1 . GLU 86 86 51475 1 . GLU 87 87 51475 1 . GLU 88 88 51475 1 . PHE 89 89 51475 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 51475 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51475 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 51475 _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 . . pET24d . . . 51475 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51475 _Sample.ID 1 _Sample.Name '53BP1 LBD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 53BP1 '[U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51475 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 51475 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _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' 0.070 . M 51475 1 pH 6.5 . pH 51475 1 pressure 1 . atm 51475 1 temperature 283 . K 51475 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51475 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51475 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51475 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51475 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51475 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51475 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' 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 51475 _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 yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51475 1 2 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51475 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51475 1 4 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51475 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 51475 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '53BP1 LBD' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl Carbon' . . . . ppm 0 internal direct 1 . . . . . 51475 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51475 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 51475 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 51475 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '53BP1 LBD' _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' . . . 51475 1 2 '3D HNCA' . . . 51475 1 3 '3D HNCACB' . . . 51475 1 4 '3D HN(CO)CACB' . . . 51475 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 . . 51475 1 2 $software_2 . . 51475 1 3 $software_3 . . 51475 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 4 4 SER C C 13 174.4948 0.0000 . 1 . . 853534 . . 1140 SER C . 51475 1 2 . 1 . 1 4 4 SER CA C 13 58.4409 0.0000 . 1 . . 853536 . . 1140 SER CA . 51475 1 3 . 1 . 1 4 4 SER CB C 13 63.7363 0.0000 . 1 . . 853538 . . 1140 SER CB . 51475 1 4 . 1 . 1 5 5 LYS H H 1 8.5342 0.0000 . 1 . . 823283 . . 1141 LYS H . 51475 1 5 . 1 . 1 5 5 LYS C C 13 176.2149 0.0000 . 1 . . 842152 . . 1141 LYS C . 51475 1 6 . 1 . 1 5 5 LYS CB C 13 32.9372 0.0000 . 1 . . 842156 . . 1141 LYS CB . 51475 1 7 . 1 . 1 5 5 LYS N N 15 123.9294 0.0000 . 1 . . 823285 . . 1141 LYS N . 51475 1 8 . 1 . 1 6 6 ALA H H 1 8.3157 0.0000 . 1 . . 821180 . . 1142 ALA H . 51475 1 9 . 1 . 1 6 6 ALA C C 13 177.5513 0.0000 . 1 . . 837725 . . 1142 ALA C . 51475 1 10 . 1 . 1 6 6 ALA CA C 13 52.4744 0.0000 . 1 . . 837729 . . 1142 ALA CA . 51475 1 11 . 1 . 1 6 6 ALA CB C 13 19.0942 0.0000 . 1 . . 837733 . . 1142 ALA CB . 51475 1 12 . 1 . 1 6 6 ALA N N 15 125.3165 0.0000 . 1 . . 821182 . . 1142 ALA N . 51475 1 13 . 1 . 1 7 7 LEU H H 1 8.2605 0.0000 . 1 . . 821225 . . 1143 LEU H . 51475 1 14 . 1 . 1 7 7 LEU C C 13 177.1953 0.0000 . 1 . . 837713 . . 1143 LEU C . 51475 1 15 . 1 . 1 7 7 LEU CA C 13 55.1486 0.0000 . 1 . . 837717 . . 1143 LEU CA . 51475 1 16 . 1 . 1 7 7 LEU CB C 13 42.1490 0.0000 . 1 . . 837721 . . 1143 LEU CB . 51475 1 17 . 1 . 1 7 7 LEU N N 15 121.9675 0.0000 . 1 . . 821227 . . 1143 LEU N . 51475 1 18 . 1 . 1 8 8 ILE H H 1 8.1102 0.0000 . 1 . . 821261 . . 1144 ILE H . 51475 1 19 . 1 . 1 8 8 ILE C C 13 175.9257 0.0000 . 1 . . 834318 . . 1144 ILE C . 51475 1 20 . 1 . 1 8 8 ILE CA C 13 60.8030 0.0000 . 1 . . 834322 . . 1144 ILE CA . 51475 1 21 . 1 . 1 8 8 ILE CB C 13 38.6364 0.0000 . 1 . . 834326 . . 1144 ILE CB . 51475 1 22 . 1 . 1 8 8 ILE N N 15 122.1075 0.0000 . 1 . . 821263 . . 1144 ILE N . 51475 1 23 . 1 . 1 9 9 GLU H H 1 8.5047 0.0000 . 1 . . 820997 . . 1145 GLU H . 51475 1 24 . 1 . 1 9 9 GLU C C 13 175.9159 0.0000 . 1 . . 842192 . . 1145 GLU C . 51475 1 25 . 1 . 1 9 9 GLU CA C 13 56.2809 0.0000 . 1 . . 842196 . . 1145 GLU CA . 51475 1 26 . 1 . 1 9 9 GLU CB C 13 30.4408 0.0000 . 1 . . 842198 . . 1145 GLU CB . 51475 1 27 . 1 . 1 9 9 GLU N N 15 125.8259 0.0000 . 1 . . 820999 . . 1145 GLU N . 51475 1 28 . 1 . 1 10 10 ARG H H 1 8.4807 0.0000 . 1 . . 821363 . . 1146 ARG H . 51475 1 29 . 1 . 1 10 10 ARG C C 13 174.0620 0.0000 . 1 . . 821715 . . 1146 ARG C . 51475 1 30 . 1 . 1 10 10 ARG CB C 13 30.1819 0.0000 . 1 . . 822144 . . 1146 ARG CB . 51475 1 31 . 1 . 1 10 10 ARG N N 15 123.7802 0.0000 . 1 . . 821365 . . 1146 ARG N . 51475 1 32 . 1 . 1 16 16 ILE C C 13 176.7543 0.0000 . 1 . . 836632 . . 1152 ILE C . 51475 1 33 . 1 . 1 16 16 ILE CA C 13 61.5574 0.0000 . 1 . . 826670 . . 1152 ILE CA . 51475 1 34 . 1 . 1 16 16 ILE CB C 13 38.4478 0.0000 . 1 . . 826670 . . 1152 ILE CB . 51475 1 35 . 1 . 1 17 17 GLY H H 1 8.5045 0.0000 . 1 . . 821015 . . 1153 GLY H . 51475 1 36 . 1 . 1 17 17 GLY C C 13 174.0290 0.0000 . 1 . . 834416 . . 1153 GLY C . 51475 1 37 . 1 . 1 17 17 GLY CA C 13 45.1699 0.0000 . 1 . . 834420 . . 1153 GLY CA . 51475 1 38 . 1 . 1 17 17 GLY N N 15 112.7338 0.0000 . 1 . . 821017 . . 1153 GLY N . 51475 1 39 . 1 . 1 18 18 ILE H H 1 8.0291 0.0000 . 1 . . 822779 . . 1154 ILE H . 51475 1 40 . 1 . 1 18 18 ILE C C 13 176.4527 0.0000 . 1 . . 837637 . . 1154 ILE C . 51475 1 41 . 1 . 1 18 18 ILE CA C 13 61.2217 0.0000 . 1 . . 837641 . . 1154 ILE CA . 51475 1 42 . 1 . 1 18 18 ILE CB C 13 38.6764 0.0000 . 1 . . 837645 . . 1154 ILE CB . 51475 1 43 . 1 . 1 18 18 ILE N N 15 120.3939 0.0000 . 1 . . 822781 . . 1154 ILE N . 51475 1 44 . 1 . 1 19 19 GLN H H 1 8.5954 0.0000 . 1 . . 822752 . . 1155 GLN H . 51475 1 45 . 1 . 1 19 19 GLN C C 13 175.9458 0.0000 . 1 . . 837627 . . 1155 GLN C . 51475 1 46 . 1 . 1 19 19 GLN CA C 13 55.7570 0.0000 . 1 . . 837629 . . 1155 GLN CA . 51475 1 47 . 1 . 1 19 19 GLN CB C 13 29.5157 0.0000 . 1 . . 837633 . . 1155 GLN CB . 51475 1 48 . 1 . 1 19 19 GLN N N 15 124.9351 0.0000 . 1 . . 822754 . . 1155 GLN N . 51475 1 49 . 1 . 1 20 20 THR H H 1 8.3234 0.0000 . 1 . . 821189 . . 1156 THR H . 51475 1 50 . 1 . 1 20 20 THR C C 13 174.6272 0.0000 . 1 . . 837844 . . 1156 THR C . 51475 1 51 . 1 . 1 20 20 THR CA C 13 61.9418 0.0000 . 1 . . 837848 . . 1156 THR CA . 51475 1 52 . 1 . 1 20 20 THR CB C 13 69.8294 0.0000 . 1 . . 837832 . . 1156 THR CB . 51475 1 53 . 1 . 1 20 20 THR N N 15 116.9451 0.0000 . 1 . . 821191 . . 1156 THR N . 51475 1 54 . 1 . 1 21 21 MET H H 1 8.5362 0.0000 . 1 . . 820973 . . 1157 MET H . 51475 1 55 . 1 . 1 21 21 MET C C 13 176.4987 0.0000 . 1 . . 834276 . . 1157 MET C . 51475 1 56 . 1 . 1 21 21 MET CA C 13 55.7089 0.0000 . 1 . . 837569 . . 1157 MET CA . 51475 1 57 . 1 . 1 21 21 MET CB C 13 32.7089 0.0000 . 1 . . 837571 . . 1157 MET CB . 51475 1 58 . 1 . 1 21 21 MET N N 15 122.9329 0.0000 . 1 . . 820975 . . 1157 MET N . 51475 1 59 . 1 . 1 22 22 GLU H H 1 8.5911 0.0000 . 1 . . 822788 . . 1158 GLU H . 51475 1 60 . 1 . 1 22 22 GLU C C 13 176.8931 0.0000 . 1 . . 836647 . . 1158 GLU C . 51475 1 61 . 1 . 1 22 22 GLU CA C 13 57.0782 0.0000 . 1 . . 836651 . . 1158 GLU CA . 51475 1 62 . 1 . 1 22 22 GLU CB C 13 30.0019 0.0000 . 1 . . 836655 . . 1158 GLU CB . 51475 1 63 . 1 . 1 22 22 GLU N N 15 122.5815 0.0000 . 1 . . 822790 . . 1158 GLU N . 51475 1 64 . 1 . 1 23 23 SER H H 1 8.4401 0.0000 . 1 . . 821096 . . 1159 SER H . 51475 1 65 . 1 . 1 23 23 SER C C 13 174.9788 0.0000 . 1 . . 842306 . . 1159 SER C . 51475 1 66 . 1 . 1 23 23 SER CA C 13 58.8301 0.0000 . 1 . . 842312 . . 1159 SER CA . 51475 1 67 . 1 . 1 23 23 SER CB C 13 63.6490 0.0000 . 1 . . 842308 . . 1159 SER CB . 51475 1 68 . 1 . 1 23 23 SER N N 15 116.9794 0.0000 . 1 . . 821098 . . 1159 SER N . 51475 1 69 . 1 . 1 24 24 SER H H 1 8.3639 0.0000 . 1 . . 822656 . . 1160 SER H . 51475 1 70 . 1 . 1 24 24 SER CB C 13 63.6751 0.0000 . 1 . . 842476 . . 1160 SER CB . 51475 1 71 . 1 . 1 24 24 SER N N 15 118.1502 0.0000 . 1 . . 822658 . . 1160 SER N . 51475 1 72 . 1 . 1 25 25 LEU H H 1 8.0997 0.0000 . 1 . . 821924 . . 1161 LEU H . 51475 1 73 . 1 . 1 25 25 LEU C C 13 177.0925 0.0000 . 1 . . 842318 . . 1161 LEU C . 51475 1 74 . 1 . 1 25 25 LEU CA C 13 55.1129 0.0000 . 1 . . 842320 . . 1161 LEU CA . 51475 1 75 . 1 . 1 25 25 LEU CB C 13 42.2322 0.0000 . 1 . . 842322 . . 1161 LEU CB . 51475 1 76 . 1 . 1 25 25 LEU N N 15 123.4614 0.0000 . 1 . . 821926 . . 1161 LEU N . 51475 1 77 . 1 . 1 26 26 ARG H H 1 8.2615 0.0000 . 1 . . 821879 . . 1162 ARG H . 51475 1 78 . 1 . 1 26 26 ARG C C 13 175.9711 0.0000 . 1 . . -1 . . 1162 ARG C . 51475 1 79 . 1 . 1 26 26 ARG CA C 13 55.7913 0.0000 . 1 . . -1 . . 1162 ARG CA . 51475 1 80 . 1 . 1 26 26 ARG N N 15 122.6989 0.0000 . 1 . . 821881 . . 1162 ARG N . 51475 1 81 . 1 . 1 27 27 VAL H H 1 8.3295 0.0000 . 1 . . 821168 . . 1163 VAL H . 51475 1 82 . 1 . 1 27 27 VAL C C 13 174.4266 0.0000 . 1 . . 827018 . . 1163 VAL C . 51475 1 83 . 1 . 1 27 27 VAL CB C 13 32.3658 0.0000 . 1 . . 822336 . . 1163 VAL CB . 51475 1 84 . 1 . 1 27 27 VAL N N 15 123.9811 0.0000 . 1 . . 821170 . . 1163 VAL N . 51475 1 85 . 1 . 1 29 29 GLU C C 13 176.7452 0.0000 . 1 . . 833933 . . 1165 GLU C . 51475 1 86 . 1 . 1 29 29 GLU CA C 13 56.7225 0.0000 . 1 . . 833939 . . 1165 GLU CA . 51475 1 87 . 1 . 1 29 29 GLU CB C 13 30.2503 0.0000 . 1 . . 833941 . . 1165 GLU CB . 51475 1 88 . 1 . 1 30 30 THR H H 1 8.3253 0.0000 . 1 . . 821174 . . 1166 THR H . 51475 1 89 . 1 . 1 30 30 THR C C 13 174.5079 0.0000 . 1 . . 842240 . . 1166 THR C . 51475 1 90 . 1 . 1 30 30 THR N N 15 116.3400 0.0000 . 1 . . 821176 . . 1166 THR N . 51475 1 91 . 1 . 1 31 31 VAL H H 1 8.3109 0.0000 . 1 . . 822668 . . 1167 VAL H . 51475 1 92 . 1 . 1 31 31 VAL C C 13 176.1812 0.0000 . 1 . . 842228 . . 1167 VAL C . 51475 1 93 . 1 . 1 31 31 VAL CA C 13 62.3627 0.0000 . 1 . . 842232 . . 1167 VAL CA . 51475 1 94 . 1 . 1 31 31 VAL CB C 13 32.7696 0.0000 . 1 . . 842236 . . 1167 VAL CB . 51475 1 95 . 1 . 1 31 31 VAL N N 15 123.6698 0.0000 . 1 . . 822670 . . 1167 VAL N . 51475 1 96 . 1 . 1 32 32 SER H H 1 8.5122 0.0000 . 1 . . 821003 . . 1168 SER H . 51475 1 97 . 1 . 1 32 32 SER C C 13 174.4489 0.0000 . 1 . . 834288 . . 1168 SER C . 51475 1 98 . 1 . 1 32 32 SER CA C 13 58.2179 0.0000 . 1 . . 834296 . . 1168 SER CA . 51475 1 99 . 1 . 1 32 32 SER CB C 13 63.8462 0.0000 . 1 . . 834292 . . 1168 SER CB . 51475 1 100 . 1 . 1 32 32 SER N N 15 120.3126 0.0000 . 1 . . 821005 . . 1168 SER N . 51475 1 101 . 1 . 1 33 33 ALA H H 1 8.4938 0.0000 . 1 . . 822773 . . 1169 ALA H . 51475 1 102 . 1 . 1 33 33 ALA C C 13 177.7178 0.0000 . 1 . . 821559 . . 1169 ALA C . 51475 1 103 . 1 . 1 33 33 ALA CA C 13 52.7516 0.0000 . 1 . . 822597 . . 1169 ALA CA . 51475 1 104 . 1 . 1 33 33 ALA CB C 13 19.0445 0.0000 . 1 . . 822600 . . 1169 ALA CB . 51475 1 105 . 1 . 1 33 33 ALA N N 15 126.7483 0.0000 . 1 . . 822775 . . 1169 ALA N . 51475 1 106 . 1 . 1 34 34 ALA H H 1 8.3135 0.0000 . 1 . . 821183 . . 1170 ALA H . 51475 1 107 . 1 . 1 34 34 ALA C C 13 178.2070 0.0000 . 1 . . 833852 . . 1170 ALA C . 51475 1 108 . 1 . 1 34 34 ALA CB C 13 18.9920 0.0000 . 1 . . 833856 . . 1170 ALA CB . 51475 1 109 . 1 . 1 34 34 ALA N N 15 122.9738 0.0000 . 1 . . 821185 . . 1170 ALA N . 51475 1 110 . 1 . 1 35 35 THR H H 1 8.0973 0.0000 . 1 . . 821279 . . 1171 THR H . 51475 1 111 . 1 . 1 35 35 THR C C 13 174.5941 0.0000 . 1 . . 821781 . . 1171 THR C . 51475 1 112 . 1 . 1 35 35 THR CA C 13 62.0949 0.0000 . 1 . . 822507 . . 1171 THR CA . 51475 1 113 . 1 . 1 35 35 THR CB C 13 69.6942 0.0000 . 1 . . 822747 . . 1171 THR CB . 51475 1 114 . 1 . 1 35 35 THR N N 15 113.4456 0.0000 . 1 . . 821281 . . 1171 THR N . 51475 1 115 . 1 . 1 36 36 GLN H H 1 8.3906 0.0000 . 1 . . 822707 . . 1172 GLN H . 51475 1 116 . 1 . 1 36 36 GLN C C 13 175.8547 0.0000 . 1 . . 837794 . . 1172 GLN C . 51475 1 117 . 1 . 1 36 36 GLN CA C 13 55.6188 0.0000 . 1 . . 837802 . . 1172 GLN CA . 51475 1 118 . 1 . 1 36 36 GLN N N 15 122.9418 0.0000 . 1 . . 822709 . . 1172 GLN N . 51475 1 119 . 1 . 1 37 37 THR H H 1 8.3952 0.0000 . 1 . . 821834 . . 1173 THR H . 51475 1 120 . 1 . 1 37 37 THR C C 13 174.3754 0.0000 . 1 . . 837838 . . 1173 THR C . 51475 1 121 . 1 . 1 37 37 THR CA C 13 62.2294 0.0000 . 1 . . 837842 . . 1173 THR CA . 51475 1 122 . 1 . 1 37 37 THR CB C 13 69.7852 0.0000 . 1 . . 837543 . . 1173 THR CB . 51475 1 123 . 1 . 1 37 37 THR N N 15 117.5657 0.0000 . 1 . . 821836 . . 1173 THR N . 51475 1 124 . 1 . 1 38 38 ILE H H 1 8.2998 0.0000 . 1 . . 821147 . . 1174 ILE H . 51475 1 125 . 1 . 1 38 38 ILE C C 13 176.0407 0.0000 . 1 . . 837804 . . 1174 ILE C . 51475 1 126 . 1 . 1 38 38 ILE CA C 13 61.0689 0.0000 . 1 . . 837808 . . 1174 ILE CA . 51475 1 127 . 1 . 1 38 38 ILE CB C 13 38.5065 0.0000 . 1 . . 837812 . . 1174 ILE CB . 51475 1 128 . 1 . 1 38 38 ILE N N 15 124.4925 0.0000 . 1 . . 821149 . . 1174 ILE N . 51475 1 129 . 1 . 1 39 39 LYS H H 1 8.4782 0.0000 . 1 . . 822125 . . 1175 LYS H . 51475 1 130 . 1 . 1 39 39 LYS C C 13 176.0043 0.0000 . 1 . . 837816 . . 1175 LYS C . 51475 1 131 . 1 . 1 39 39 LYS CA C 13 56.1378 0.0000 . 1 . . 837820 . . 1175 LYS CA . 51475 1 132 . 1 . 1 39 39 LYS CB C 13 33.1350 0.0000 . 1 . . 837824 . . 1175 LYS CB . 51475 1 133 . 1 . 1 39 39 LYS N N 15 126.3618 0.0000 . 1 . . 822127 . . 1175 LYS N . 51475 1 134 . 1 . 1 40 40 ASN H H 1 8.5861 0.0000 . 1 . . 820922 . . 1176 ASN H . 51475 1 135 . 1 . 1 40 40 ASN C C 13 175.3965 0.0000 . 1 . . 842268 . . 1176 ASN C . 51475 1 136 . 1 . 1 40 40 ASN CA C 13 53.1938 0.0000 . 1 . . 842272 . . 1176 ASN CA . 51475 1 137 . 1 . 1 40 40 ASN CB C 13 38.7940 0.0000 . 1 . . 842276 . . 1176 ASN CB . 51475 1 138 . 1 . 1 40 40 ASN N N 15 121.1290 0.0000 . 1 . . 820924 . . 1176 ASN N . 51475 1 139 . 1 . 1 41 41 VAL H H 1 8.2885 0.0000 . 1 . . 821204 . . 1177 VAL H . 51475 1 140 . 1 . 1 41 41 VAL C C 13 176.3602 0.0000 . 1 . . 842278 . . 1177 VAL C . 51475 1 141 . 1 . 1 41 41 VAL CA C 13 62.6399 0.0000 . 1 . . 842282 . . 1177 VAL CA . 51475 1 142 . 1 . 1 41 41 VAL CB C 13 32.5821 0.0000 . 1 . . 842286 . . 1177 VAL CB . 51475 1 143 . 1 . 1 41 41 VAL N N 15 120.9693 0.0000 . 1 . . 821206 . . 1177 VAL N . 51475 1 144 . 1 . 1 43 43 GLU C C 13 176.5463 0.0000 . 1 . . 834277 . . 1179 GLU C . 51475 1 145 . 1 . 1 43 43 GLU CA C 13 56.6364 0.0000 . 1 . . 821103 . . 1179 GLU CA . 51475 1 146 . 1 . 1 43 43 GLU CB C 13 30.0737 0.0000 . 1 . . 834283 . . 1179 GLU CB . 51475 1 147 . 1 . 1 44 44 GLN H H 1 8.4228 0.0000 . 1 . . 822698 . . 1180 GLN H . 51475 1 148 . 1 . 1 44 44 GLN C C 13 176.5719 0.0000 . 1 . . 842289 . . 1180 GLN C . 51475 1 149 . 1 . 1 44 44 GLN CA C 13 56.1058 0.0000 . 1 . . 824803 . . 1180 GLN CA . 51475 1 150 . 1 . 1 44 44 GLN CB C 13 29.3495 0.0000 . 1 . . 842292 . . 1180 GLN CB . 51475 1 151 . 1 . 1 44 44 GLN N N 15 121.1589 0.0000 . 1 . . 822700 . . 1180 GLN N . 51475 1 152 . 1 . 1 45 45 GLY H H 1 8.5037 0.0000 . 1 . . 821027 . . 1181 GLY H . 51475 1 153 . 1 . 1 45 45 GLY C C 13 174.2901 0.0000 . 1 . . 842138 . . 1181 GLY C . 51475 1 154 . 1 . 1 45 45 GLY CA C 13 45.3122 0.0000 . 1 . . 842142 . . 1181 GLY CA . 51475 1 155 . 1 . 1 45 45 GLY N N 15 110.2352 0.0000 . 1 . . 821029 . . 1181 GLY N . 51475 1 156 . 1 . 1 46 46 THR H H 1 8.1419 0.0000 . 1 . . 822635 . . 1182 THR H . 51475 1 157 . 1 . 1 46 46 THR C C 13 174.7111 0.0000 . 1 . . 824768 . . 1182 THR C . 51475 1 158 . 1 . 1 46 46 THR CA C 13 61.7710 0.0000 . 1 . . 824776 . . 1182 THR CA . 51475 1 159 . 1 . 1 46 46 THR CB C 13 69.9175 0.0000 . 1 . . 824772 . . 1182 THR CB . 51475 1 160 . 1 . 1 46 46 THR N N 15 113.5478 0.0000 . 1 . . 822637 . . 1182 THR N . 51475 1 161 . 1 . 1 47 47 SER H H 1 8.5049 0.0000 . 1 . . 821006 . . 1183 SER H . 51475 1 162 . 1 . 1 47 47 SER C C 13 174.8138 0.0000 . 1 . . 827032 . . 1183 SER C . 51475 1 163 . 1 . 1 47 47 SER CA C 13 58.2852 0.0000 . 1 . . 827036 . . 1183 SER CA . 51475 1 164 . 1 . 1 47 47 SER N N 15 118.5920 0.0000 . 1 . . 821008 . . 1183 SER N . 51475 1 165 . 1 . 1 48 48 THR H H 1 8.3639 0.0000 . 1 . . 821333 . . 1184 THR H . 51475 1 166 . 1 . 1 48 48 THR C C 13 174.7022 0.0000 . 1 . . 821667 . . 1184 THR C . 51475 1 167 . 1 . 1 48 48 THR CA C 13 61.9650 0.0000 . 1 . . 822309 . . 1184 THR CA . 51475 1 168 . 1 . 1 48 48 THR CB C 13 69.6897 0.0000 . 1 . . 822303 . . 1184 THR CB . 51475 1 169 . 1 . 1 48 48 THR N N 15 116.7172 0.0000 . 1 . . 821335 . . 1184 THR N . 51475 1 170 . 1 . 1 49 49 VAL H H 1 8.1574 0.0000 . 1 . . 821243 . . 1185 VAL H . 51475 1 171 . 1 . 1 49 49 VAL C C 13 175.8890 0.0000 . 1 . . 821853 . . 1185 VAL C . 51475 1 172 . 1 . 1 49 49 VAL CA C 13 62.5162 0.0000 . 1 . . 822462 . . 1185 VAL CA . 51475 1 173 . 1 . 1 49 49 VAL CB C 13 32.7065 0.0000 . 1 . . 822468 . . 1185 VAL CB . 51475 1 174 . 1 . 1 49 49 VAL N N 15 122.1791 0.0000 . 1 . . 821245 . . 1185 VAL N . 51475 1 175 . 1 . 1 50 50 ASP H H 1 8.4082 0.0000 . 1 . . 821126 . . 1186 ASP H . 51475 1 176 . 1 . 1 50 50 ASP C C 13 176.5961 0.0000 . 1 . . 821652 . . 1186 ASP C . 51475 1 177 . 1 . 1 50 50 ASP CA C 13 54.4132 0.0000 . 1 . . 822279 . . 1186 ASP CA . 51475 1 178 . 1 . 1 50 50 ASP CB C 13 41.1128 0.0000 . 1 . . 822282 . . 1186 ASP CB . 51475 1 179 . 1 . 1 50 50 ASP N N 15 124.1199 0.0000 . 1 . . 821128 . . 1186 ASP N . 51475 1 180 . 1 . 1 51 51 GLN H H 1 8.4549 0.0000 . 1 . . 821066 . . 1187 GLN H . 51475 1 181 . 1 . 1 51 51 GLN C C 13 175.7226 0.0000 . 1 . . 821592 . . 1187 GLN C . 51475 1 182 . 1 . 1 51 51 GLN CA C 13 56.2238 0.0000 . 1 . . 822180 . . 1187 GLN CA . 51475 1 183 . 1 . 1 51 51 GLN CB C 13 29.0473 0.0000 . 1 . . 822189 . . 1187 GLN CB . 51475 1 184 . 1 . 1 51 51 GLN N N 15 121.7875 0.0000 . 1 . . 821068 . . 1187 GLN N . 51475 1 185 . 1 . 1 52 52 ASN H H 1 8.4600 0.0000 . 1 . . 821078 . . 1188 ASN H . 51475 1 186 . 1 . 1 52 52 ASN C C 13 175.1618 0.0000 . 1 . . 821598 . . 1188 ASN C . 51475 1 187 . 1 . 1 52 52 ASN CA C 13 53.1840 0.0000 . 1 . . 822201 . . 1188 ASN CA . 51475 1 188 . 1 . 1 52 52 ASN CB C 13 38.7465 0.0000 . 1 . . 822204 . . 1188 ASN CB . 51475 1 189 . 1 . 1 52 52 ASN N N 15 118.7251 0.0000 . 1 . . 821080 . . 1188 ASN N . 51475 1 190 . 1 . 1 53 53 PHE H H 1 8.1173 0.0000 . 1 . . 821267 . . 1189 PHE H . 51475 1 191 . 1 . 1 53 53 PHE C C 13 176.4948 0.0000 . 1 . . 821772 . . 1189 PHE C . 51475 1 192 . 1 . 1 53 53 PHE CA C 13 58.4934 0.0000 . 1 . . 822495 . . 1189 PHE CA . 51475 1 193 . 1 . 1 53 53 PHE N N 15 120.9507 0.0000 . 1 . . 821269 . . 1189 PHE N . 51475 1 194 . 1 . 1 54 54 GLY H H 1 8.4260 0.0000 . 1 . . 821117 . . 1190 GLY H . 51475 1 195 . 1 . 1 54 54 GLY C C 13 174.0714 0.0000 . 1 . . 842172 . . 1190 GLY C . 51475 1 196 . 1 . 1 54 54 GLY CA C 13 45.2717 0.0000 . 1 . . 842176 . . 1190 GLY CA . 51475 1 197 . 1 . 1 54 54 GLY N N 15 110.9154 0.0000 . 1 . . 821119 . . 1190 GLY N . 51475 1 198 . 1 . 1 55 55 LYS H H 1 8.0457 0.0000 . 1 . . 822671 . . 1191 LYS H . 51475 1 199 . 1 . 1 55 55 LYS C C 13 176.7126 0.0000 . 1 . . 842160 . . 1191 LYS C . 51475 1 200 . 1 . 1 55 55 LYS CA C 13 56.2357 0.0000 . 1 . . 842168 . . 1191 LYS CA . 51475 1 201 . 1 . 1 55 55 LYS CB C 13 32.9086 0.0000 . 1 . . 842164 . . 1191 LYS CB . 51475 1 202 . 1 . 1 55 55 LYS N N 15 120.8428 0.0000 . 1 . . 822673 . . 1191 LYS N . 51475 1 203 . 1 . 1 56 56 GLN H H 1 8.5529 0.0000 . 1 . . 822590 . . 1192 GLN H . 51475 1 204 . 1 . 1 56 56 GLN C C 13 175.6370 0.0000 . 1 . . 831522 . . 1192 GLN C . 51475 1 205 . 1 . 1 56 56 GLN CA C 13 55.7372 0.0000 . 1 . . 831524 . . 1192 GLN CA . 51475 1 206 . 1 . 1 56 56 GLN CB C 13 29.4330 0.0000 . 1 . . 831526 . . 1192 GLN CB . 51475 1 207 . 1 . 1 56 56 GLN N N 15 122.0668 0.0000 . 1 . . 822592 . . 1192 GLN N . 51475 1 208 . 1 . 1 57 57 ASP H H 1 8.4457 0.0000 . 1 . . 821087 . . 1193 ASP H . 51475 1 209 . 1 . 1 57 57 ASP C C 13 176.0308 0.0000 . 1 . . 830754 . . 1193 ASP C . 51475 1 210 . 1 . 1 57 57 ASP CA C 13 54.3045 0.0000 . 1 . . 830758 . . 1193 ASP CA . 51475 1 211 . 1 . 1 57 57 ASP CB C 13 41.1115 0.0000 . 1 . . 830762 . . 1193 ASP CB . 51475 1 212 . 1 . 1 57 57 ASP N N 15 122.1673 0.0000 . 1 . . 821089 . . 1193 ASP N . 51475 1 213 . 1 . 1 58 58 ALA H H 1 8.4198 0.0000 . 1 . . 821120 . . 1194 ALA H . 51475 1 214 . 1 . 1 58 58 ALA C C 13 178.0100 0.0000 . 1 . . 829680 . . 1194 ALA C . 51475 1 215 . 1 . 1 58 58 ALA CA C 13 52.7045 0.0000 . 1 . . 829684 . . 1194 ALA CA . 51475 1 216 . 1 . 1 58 58 ALA CB C 13 19.1299 0.0000 . 1 . . 829688 . . 1194 ALA CB . 51475 1 217 . 1 . 1 58 58 ALA N N 15 125.0526 0.0000 . 1 . . 821122 . . 1194 ALA N . 51475 1 218 . 1 . 1 59 59 THR H H 1 8.3078 0.0000 . 1 . . 821201 . . 1195 THR H . 51475 1 219 . 1 . 1 59 59 THR C C 13 174.7398 0.0000 . 1 . . 829638 . . 1195 THR C . 51475 1 220 . 1 . 1 59 59 THR CA C 13 62.4829 0.0000 . 1 . . 829646 . . 1195 THR CA . 51475 1 221 . 1 . 1 59 59 THR CB C 13 69.8057 0.0000 . 1 . . 829642 . . 1195 THR CB . 51475 1 222 . 1 . 1 59 59 THR N N 15 114.0088 0.0000 . 1 . . 821203 . . 1195 THR N . 51475 1 223 . 1 . 1 60 60 VAL H H 1 8.1358 0.0000 . 1 . . 821249 . . 1196 VAL H . 51475 1 224 . 1 . 1 60 60 VAL C C 13 176.0781 0.0000 . 1 . . 837619 . . 1196 VAL C . 51475 1 225 . 1 . 1 60 60 VAL CB C 13 32.6569 0.0000 . 1 . . 837623 . . 1196 VAL CB . 51475 1 226 . 1 . 1 60 60 VAL N N 15 123.2057 0.0000 . 1 . . 821251 . . 1196 VAL N . 51475 1 227 . 1 . 1 61 61 GLN H H 1 8.5748 0.0000 . 1 . . 820931 . . 1197 GLN H . 51475 1 228 . 1 . 1 61 61 GLN C C 13 176.1399 0.0000 . 1 . . 837649 . . 1197 GLN C . 51475 1 229 . 1 . 1 61 61 GLN CA C 13 55.7128 0.0000 . 1 . . 837651 . . 1197 GLN CA . 51475 1 230 . 1 . 1 61 61 GLN CB C 13 29.3420 0.0000 . 1 . . 837655 . . 1197 GLN CB . 51475 1 231 . 1 . 1 61 61 GLN N N 15 124.9393 0.0000 . 1 . . 820933 . . 1197 GLN N . 51475 1 232 . 1 . 1 62 62 THR H H 1 8.2832 0.0000 . 1 . . 821216 . . 1198 THR H . 51475 1 233 . 1 . 1 62 62 THR C C 13 174.5673 0.0000 . 1 . . 837667 . . 1198 THR C . 51475 1 234 . 1 . 1 62 62 THR CA C 13 62.0777 0.0000 . 1 . . 837673 . . 1198 THR CA . 51475 1 235 . 1 . 1 62 62 THR CB C 13 69.8381 0.0000 . 1 . . 834445 . . 1198 THR CB . 51475 1 236 . 1 . 1 62 62 THR N N 15 116.3620 0.0000 . 1 . . 821218 . . 1198 THR N . 51475 1 237 . 1 . 1 63 63 GLU H H 1 8.5486 0.0000 . 1 . . 820955 . . 1199 GLU H . 51475 1 238 . 1 . 1 63 63 GLU C C 13 177.0111 0.0000 . 1 . . 835355 . . 1199 GLU C . 51475 1 239 . 1 . 1 63 63 GLU CA C 13 56.5372 0.0000 . 1 . . 835357 . . 1199 GLU CA . 51475 1 240 . 1 . 1 63 63 GLU CB C 13 30.0775 0.0000 . 1 . . 835359 . . 1199 GLU CB . 51475 1 241 . 1 . 1 63 63 GLU N N 15 123.6900 0.0000 . 1 . . 820957 . . 1199 GLU N . 51475 1 242 . 1 . 1 64 64 ARG H H 1 8.5428 0.0000 . 1 . . 820961 . . 1200 ARG H . 51475 1 243 . 1 . 1 64 64 ARG C C 13 177.0222 0.0000 . 1 . . 842212 . . 1200 ARG C . 51475 1 244 . 1 . 1 64 64 ARG CA C 13 56.4047 0.0000 . 1 . . 842216 . . 1200 ARG CA . 51475 1 245 . 1 . 1 64 64 ARG N N 15 122.8840 0.0000 . 1 . . 820963 . . 1200 ARG N . 51475 1 246 . 1 . 1 65 65 GLY H H 1 8.5797 0.0000 . 1 . . 820940 . . 1201 GLY H . 51475 1 247 . 1 . 1 65 65 GLY C C 13 174.3664 0.0000 . 1 . . 829804 . . 1201 GLY C . 51475 1 248 . 1 . 1 65 65 GLY CA C 13 45.2011 0.0000 . 1 . . 829808 . . 1201 GLY CA . 51475 1 249 . 1 . 1 65 65 GLY N N 15 110.4997 0.0000 . 1 . . 820942 . . 1201 GLY N . 51475 1 250 . 1 . 1 66 66 SER H H 1 8.4413 0.0000 . 1 . . 821099 . . 1202 SER H . 51475 1 251 . 1 . 1 66 66 SER C C 13 175.2948 0.0000 . 1 . . 825719 . . 1202 SER C . 51475 1 252 . 1 . 1 66 66 SER CA C 13 58.6218 0.0000 . 1 . . 825727 . . 1202 SER CA . 51475 1 253 . 1 . 1 66 66 SER CB C 13 63.8570 0.0000 . 1 . . 825723 . . 1202 SER CB . 51475 1 254 . 1 . 1 66 66 SER N N 15 115.9865 0.0000 . 1 . . 821101 . . 1202 SER N . 51475 1 255 . 1 . 1 67 67 GLY H H 1 8.5890 0.0000 . 1 . . 822791 . . 1203 GLY H . 51475 1 256 . 1 . 1 67 67 GLY C C 13 174.0151 0.0000 . 1 . . 834080 . . 1203 GLY C . 51475 1 257 . 1 . 1 67 67 GLY N N 15 111.1253 0.0000 . 1 . . 822793 . . 1203 GLY N . 51475 1 258 . 1 . 1 68 68 GLU H H 1 8.2329 0.0000 . 1 . . 821240 . . 1204 GLU H . 51475 1 259 . 1 . 1 68 68 GLU C C 13 176.3272 0.0000 . 1 . . 835339 . . 1204 GLU C . 51475 1 260 . 1 . 1 68 68 GLU CA C 13 56.2324 0.0000 . 1 . . 835343 . . 1204 GLU CA . 51475 1 261 . 1 . 1 68 68 GLU CB C 13 30.3588 0.0000 . 1 . . 835347 . . 1204 GLU CB . 51475 1 262 . 1 . 1 68 68 GLU N N 15 120.5431 0.0000 . 1 . . 821242 . . 1204 GLU N . 51475 1 263 . 1 . 1 69 69 LYS H H 1 8.4854 0.0000 . 1 . . 821039 . . 1205 LYS H . 51475 1 264 . 1 . 1 69 69 LYS C C 13 174.3637 0.0000 . 1 . . 834284 . . 1205 LYS C . 51475 1 265 . 1 . 1 69 69 LYS CA C 13 54.2171 0.0000 . 1 . . 822135 . . 1205 LYS CA . 51475 1 266 . 1 . 1 69 69 LYS CB C 13 32.4048 0.0000 . 1 . . 822138 . . 1205 LYS CB . 51475 1 267 . 1 . 1 69 69 LYS N N 15 124.3371 0.0000 . 1 . . 821041 . . 1205 LYS N . 51475 1 268 . 1 . 1 70 70 PRO C C 13 176.8304 0.0000 . 1 . . 834475 . . 1206 PRO C . 51475 1 269 . 1 . 1 70 70 PRO CA C 13 62.8634 0.0000 . 1 . . 834479 . . 1206 PRO CA . 51475 1 270 . 1 . 1 70 70 PRO CB C 13 32.0833 0.0000 . 1 . . 834483 . . 1206 PRO CB . 51475 1 271 . 1 . 1 71 71 VAL H H 1 8.4062 0.0000 . 1 . . 821135 . . 1207 VAL H . 51475 1 272 . 1 . 1 71 71 VAL C C 13 176.3069 0.0000 . 1 . . 834464 . . 1207 VAL C . 51475 1 273 . 1 . 1 71 71 VAL CA C 13 62.4112 0.0000 . 1 . . 834468 . . 1207 VAL CA . 51475 1 274 . 1 . 1 71 71 VAL CB C 13 32.7411 0.0000 . 1 . . 834472 . . 1207 VAL CB . 51475 1 275 . 1 . 1 71 71 VAL N N 15 121.1702 0.0000 . 1 . . 821137 . . 1207 VAL N . 51475 1 276 . 1 . 1 72 72 SER H H 1 8.4240 0.0000 . 1 . . 821108 . . 1208 SER H . 51475 1 277 . 1 . 1 72 72 SER C C 13 173.4746 0.0000 . 1 . . 825917 . . 1208 SER C . 51475 1 278 . 1 . 1 72 72 SER CA C 13 57.9999 0.0000 . 1 . . 825925 . . 1208 SER CA . 51475 1 279 . 1 . 1 72 72 SER CB C 13 63.9866 0.0000 . 1 . . 825921 . . 1208 SER CB . 51475 1 280 . 1 . 1 72 72 SER N N 15 120.2819 0.0000 . 1 . . 821110 . . 1208 SER N . 51475 1 281 . 1 . 1 73 73 ALA H H 1 8.5368 0.0000 . 1 . . 821318 . . 1209 ALA H . 51475 1 282 . 1 . 1 73 73 ALA C C 13 175.4779 0.0000 . 1 . . 834504 . . 1209 ALA C . 51475 1 283 . 1 . 1 73 73 ALA CA C 13 50.3964 0.0000 . 1 . . 822039 . . 1209 ALA CA . 51475 1 284 . 1 . 1 73 73 ALA CB C 13 18.2396 0.0000 . 1 . . 822042 . . 1209 ALA CB . 51475 1 285 . 1 . 1 73 73 ALA N N 15 127.8420 0.0000 . 1 . . 821320 . . 1209 ALA N . 51475 1 286 . 1 . 1 74 74 PRO C C 13 177.6324 0.0000 . 1 . . 824063 . . 1210 PRO C . 51475 1 287 . 1 . 1 74 74 PRO CA C 13 63.5513 0.0000 . 1 . . 826502 . . 1210 PRO CA . 51475 1 288 . 1 . 1 74 74 PRO CB C 13 31.9454 0.0000 . 1 . . 826502 . . 1210 PRO CB . 51475 1 289 . 1 . 1 75 75 GLY H H 1 8.5621 0.0000 . 1 . . 820952 . . 1211 GLY H . 51475 1 290 . 1 . 1 75 75 GLY C C 13 173.9236 0.0000 . 1 . . 836627 . . 1211 GLY C . 51475 1 291 . 1 . 1 75 75 GLY N N 15 109.7806 0.0000 . 1 . . 820954 . . 1211 GLY N . 51475 1 292 . 1 . 1 76 76 ASP H H 1 8.1984 0.0000 . 1 . . 822833 . . 1212 ASP H . 51475 1 293 . 1 . 1 76 76 ASP C C 13 176.1984 0.0000 . 1 . . 837777 . . 1212 ASP C . 51475 1 294 . 1 . 1 76 76 ASP CB C 13 41.1896 0.0000 . 1 . . 837779 . . 1212 ASP CB . 51475 1 295 . 1 . 1 76 76 ASP N N 15 120.5622 0.0000 . 1 . . 822835 . . 1212 ASP N . 51475 1 296 . 1 . 1 77 77 ASP H H 1 8.4842 0.0000 . 1 . . 821045 . . 1213 ASP H . 51475 1 297 . 1 . 1 77 77 ASP C C 13 176.8104 0.0000 . 1 . . 836631 . . 1213 ASP C . 51475 1 298 . 1 . 1 77 77 ASP CB C 13 40.7932 0.0000 . 1 . . 836605 . . 1213 ASP CB . 51475 1 299 . 1 . 1 77 77 ASP N N 15 121.0092 0.0000 . 1 . . 821047 . . 1213 ASP N . 51475 1 300 . 1 . 1 78 78 THR H H 1 8.2199 0.0000 . 1 . . 821237 . . 1214 THR H . 51475 1 301 . 1 . 1 78 78 THR C C 13 175.2382 0.0000 . 1 . . 836675 . . 1214 THR C . 51475 1 302 . 1 . 1 78 78 THR CA C 13 62.8808 0.0000 . 1 . . 836681 . . 1214 THR CA . 51475 1 303 . 1 . 1 78 78 THR CB C 13 69.5932 0.0000 . 1 . . 836679 . . 1214 THR CB . 51475 1 304 . 1 . 1 78 78 THR N N 15 114.5875 0.0000 . 1 . . 821239 . . 1214 THR N . 51475 1 305 . 1 . 1 79 79 GLU H H 1 8.4421 0.0000 . 1 . . 822710 . . 1215 GLU H . 51475 1 306 . 1 . 1 79 79 GLU C C 13 176.8377 0.0000 . 1 . . 837783 . . 1215 GLU C . 51475 1 307 . 1 . 1 79 79 GLU CA C 13 57.0575 0.0000 . 1 . . 837787 . . 1215 GLU CA . 51475 1 308 . 1 . 1 79 79 GLU CB C 13 29.9875 0.0000 . 1 . . 837791 . . 1215 GLU CB . 51475 1 309 . 1 . 1 79 79 GLU N N 15 123.0063 0.0000 . 1 . . 822712 . . 1215 GLU N . 51475 1 310 . 1 . 1 80 80 SER H H 1 8.2851 0.0000 . 1 . . 821213 . . 1216 SER H . 51475 1 311 . 1 . 1 80 80 SER C C 13 174.5659 0.0000 . 1 . . 837769 . . 1216 SER C . 51475 1 312 . 1 . 1 80 80 SER CA C 13 58.6008 0.0000 . 1 . . 837773 . . 1216 SER CA . 51475 1 313 . 1 . 1 80 80 SER N N 15 116.7020 0.0000 . 1 . . 821215 . . 1216 SER N . 51475 1 314 . 1 . 1 81 81 LEU H H 1 8.2054 0.0000 . 1 . . 821303 . . 1217 LEU H . 51475 1 315 . 1 . 1 81 81 LEU C C 13 177.3357 0.0000 . 1 . . 842128 . . 1217 LEU C . 51475 1 316 . 1 . 1 81 81 LEU CA C 13 55.3356 0.0000 . 1 . . 842132 . . 1217 LEU CA . 51475 1 317 . 1 . 1 81 81 LEU CB C 13 42.1049 0.0000 . 1 . . 842134 . . 1217 LEU CB . 51475 1 318 . 1 . 1 81 81 LEU N N 15 123.5801 0.0000 . 1 . . 821305 . . 1217 LEU N . 51475 1 319 . 1 . 1 82 82 HIS H H 1 8.4492 0.0000 . 1 . . 821366 . . 1218 HIS H . 51475 1 320 . 1 . 1 82 82 HIS C C 13 174.7125 0.0000 . 1 . . 837351 . . 1218 HIS C . 51475 1 321 . 1 . 1 82 82 HIS CB C 13 29.2887 0.0000 . 1 . . 837405 . . 1218 HIS CB . 51475 1 322 . 1 . 1 82 82 HIS N N 15 119.2887 0.0000 . 1 . . 821368 . . 1218 HIS N . 51475 1 323 . 1 . 1 83 83 SER H H 1 8.4304 0.0000 . 1 . . 821429 . . 1219 SER H . 51475 1 324 . 1 . 1 83 83 SER CA C 13 58.3991 0.0000 . 1 . . 842016 . . 1219 SER CA . 51475 1 325 . 1 . 1 83 83 SER CB C 13 63.7635 0.0000 . 1 . . 842020 . . 1219 SER CB . 51475 1 326 . 1 . 1 83 83 SER N N 15 117.6452 0.0000 . 1 . . 821431 . . 1219 SER N . 51475 1 327 . 1 . 1 84 84 GLN H H 1 8.6429 0.0000 . 1 . . 820898 . . 1220 GLN H . 51475 1 328 . 1 . 1 84 84 GLN C C 13 176.4171 0.0000 . 1 . . 842024 . . 1220 GLN C . 51475 1 329 . 1 . 1 84 84 GLN CA C 13 56.1352 0.0000 . 1 . . 842028 . . 1220 GLN CA . 51475 1 330 . 1 . 1 84 84 GLN CB C 13 29.3101 0.0000 . 1 . . 842030 . . 1220 GLN CB . 51475 1 331 . 1 . 1 84 84 GLN N N 15 122.6405 0.0000 . 1 . . 820900 . . 1220 GLN N . 51475 1 332 . 1 . 1 85 85 GLY H H 1 8.5379 0.0000 . 1 . . 820991 . . 1221 GLY H . 51475 1 333 . 1 . 1 85 85 GLY C C 13 174.0923 0.0000 . 1 . . 833818 . . 1221 GLY C . 51475 1 334 . 1 . 1 85 85 GLY CA C 13 45.1934 0.0000 . 1 . . 833830 . . 1221 GLY CA . 51475 1 335 . 1 . 1 85 85 GLY N N 15 110.6972 0.0000 . 1 . . 820993 . . 1221 GLY N . 51475 1 336 . 1 . 1 86 86 GLU H H 1 8.3474 0.0000 . 1 . . 821162 . . 1222 GLU H . 51475 1 337 . 1 . 1 86 86 GLU C C 13 176.5168 0.0000 . 1 . . 833708 . . 1222 GLU C . 51475 1 338 . 1 . 1 86 86 GLU CA C 13 56.3610 0.0000 . 1 . . 833712 . . 1222 GLU CA . 51475 1 339 . 1 . 1 86 86 GLU CB C 13 30.2423 0.0000 . 1 . . 833714 . . 1222 GLU CB . 51475 1 340 . 1 . 1 86 86 GLU N N 15 120.4976 0.0000 . 1 . . 821164 . . 1222 GLU N . 51475 1 341 . 1 . 1 87 87 GLU H H 1 8.5388 0.0000 . 1 . . 820985 . . 1223 GLU H . 51475 1 342 . 1 . 1 87 87 GLU C C 13 176.0516 0.0000 . 1 . . 829190 . . 1223 GLU C . 51475 1 343 . 1 . 1 87 87 GLU CB C 13 30.2061 0.0000 . 1 . . 829192 . . 1223 GLU CB . 51475 1 344 . 1 . 1 87 87 GLU N N 15 121.7018 0.0000 . 1 . . 820987 . . 1223 GLU N . 51475 1 345 . 1 . 1 88 88 GLU H H 1 8.3470 0.0000 . 1 . . 821159 . . 1224 GLU H . 51475 1 346 . 1 . 1 88 88 GLU C C 13 175.0812 0.0000 . 1 . . 834340 . . 1224 GLU C . 51475 1 347 . 1 . 1 88 88 GLU CB C 13 30.5834 0.0000 . 1 . . 834344 . . 1224 GLU CB . 51475 1 348 . 1 . 1 88 88 GLU N N 15 122.4399 0.0000 . 1 . . 821161 . . 1224 GLU N . 51475 1 349 . 1 . 1 89 89 PHE H H 1 7.8200 0.0000 . 1 . . 821294 . . 1225 PHE H . 51475 1 350 . 1 . 1 89 89 PHE C C 13 180.3960 0.0000 . 1 . . 821802 . . 1225 PHE C . 51475 1 351 . 1 . 1 89 89 PHE CA C 13 58.9792 0.0000 . 1 . . 822531 . . 1225 PHE CA . 51475 1 352 . 1 . 1 89 89 PHE CB C 13 40.3165 0.0000 . 1 . . 822537 . . 1225 PHE CB . 51475 1 353 . 1 . 1 89 89 PHE N N 15 126.0153 0.0000 . 1 . . 821296 . . 1225 PHE N . 51475 1 stop_ save_