data_51523 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51523 _Entry.Title ; Backbone assignments of BARD1 Ser-141-216 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-20 _Entry.Accession_date 2022-07-20 _Entry.Last_release_date 2022-07-20 _Entry.Original_release_date 2022-07-20 _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 'Backbone assignments of BARD1 Ser-141-216' _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 Samuel Witus . R. . . 51523 2 Lisa Tuttle . M. . 0000-0001-8889-232X 51523 3 Alex Zelter . . . . 51523 4 Klaiten Kermoade . E. . . 51523 5 Damien Wilburn . B. . . 51523 6 Weixing Zhao . . . . 51523 7 Trisha Davis . N. . . 51523 8 Peter Brzovic . S. . . 51523 9 Rachel Klevit . E. . . 51523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 51523 '15N chemical shifts' 63 51523 '1H chemical shifts' 120 51523 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 . . 2023-08-18 2022-07-20 update BMRB 'update entry citation' 51523 1 . . 2023-04-17 2022-07-20 original author 'original release' 51523 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51524 'BARD1 Ser-141-216: complex with dsDNA' 51523 BMRB 51525 'BARD1 Ser-141-216: complex with bubDNA' 51523 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51523 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37305927 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; BRCA1/BARD1 intrinsically disordered regions facilitate chromatin recruitment and ubiquitylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 42 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1460-2075 _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 e113565 _Citation.Page_last e113565 _Citation.Year 2023 _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 Samuel Witus S. R. . . 51523 1 2 Lisa Tuttle L. M. . . 51523 1 3 Wenjing Li W. . . . 51523 1 4 Alex Zelter A. . . . 51523 1 5 Meiling Wang M. . . . 51523 1 6 Klaiten Kermoade K. E. . . 51523 1 7 Damien Wilburn D. B. . . 51523 1 8 Trisha Davis T. N. . . 51523 1 9 Peter Brzovic P. S. . . 51523 1 10 Weixing Zhao W. . . . 51523 1 11 Rachel Klevit R. E. . . 51523 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BRCA1, BARD1, IDR, DNA damage repair' 51523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51523 _Assembly.ID 1 _Assembly.Name 'BARD1 Ser-141-216' _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 'BARD1 Ser-141-216' 1 $entity_1 . . yes native yes no . . . 51523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51523 _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 ; SNSIKMWFSPRSKKVRYVVS KASVQTQPAIKKDASAQQDS YEFVSPSPPADVSERAKKAS ARSGKKQKKKTLAEINQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _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 1 140 SER . 51523 1 2 141 ASN . 51523 1 3 142 SER . 51523 1 4 143 ILE . 51523 1 5 144 LYS . 51523 1 6 145 MET . 51523 1 7 146 TRP . 51523 1 8 147 PHE . 51523 1 9 148 SER . 51523 1 10 149 PRO . 51523 1 11 150 ARG . 51523 1 12 151 SER . 51523 1 13 152 LYS . 51523 1 14 153 LYS . 51523 1 15 154 VAL . 51523 1 16 155 ARG . 51523 1 17 156 TYR . 51523 1 18 157 VAL . 51523 1 19 158 VAL . 51523 1 20 159 SER . 51523 1 21 160 LYS . 51523 1 22 161 ALA . 51523 1 23 162 SER . 51523 1 24 163 VAL . 51523 1 25 164 GLN . 51523 1 26 165 THR . 51523 1 27 166 GLN . 51523 1 28 167 PRO . 51523 1 29 168 ALA . 51523 1 30 169 ILE . 51523 1 31 170 LYS . 51523 1 32 171 LYS . 51523 1 33 172 ASP . 51523 1 34 173 ALA . 51523 1 35 174 SER . 51523 1 36 175 ALA . 51523 1 37 176 GLN . 51523 1 38 177 GLN . 51523 1 39 178 ASP . 51523 1 40 179 SER . 51523 1 41 180 TYR . 51523 1 42 181 GLU . 51523 1 43 182 PHE . 51523 1 44 183 VAL . 51523 1 45 184 SER . 51523 1 46 185 PRO . 51523 1 47 186 SER . 51523 1 48 187 PRO . 51523 1 49 188 PRO . 51523 1 50 189 ALA . 51523 1 51 190 ASP . 51523 1 52 191 VAL . 51523 1 53 192 SER . 51523 1 54 193 GLU . 51523 1 55 194 ARG . 51523 1 56 195 ALA . 51523 1 57 196 LYS . 51523 1 58 197 LYS . 51523 1 59 198 ALA . 51523 1 60 199 SER . 51523 1 61 200 ALA . 51523 1 62 201 ARG . 51523 1 63 202 SER . 51523 1 64 203 GLY . 51523 1 65 204 LYS . 51523 1 66 205 LYS . 51523 1 67 206 GLN . 51523 1 68 207 LYS . 51523 1 69 208 LYS . 51523 1 70 209 LYS . 51523 1 71 210 THR . 51523 1 72 211 LEU . 51523 1 73 212 ALA . 51523 1 74 213 GLU . 51523 1 75 214 ILE . 51523 1 76 215 ASN . 51523 1 77 216 GLN . 51523 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 . SER 1 1 51523 1 . ASN 2 2 51523 1 . SER 3 3 51523 1 . ILE 4 4 51523 1 . LYS 5 5 51523 1 . MET 6 6 51523 1 . TRP 7 7 51523 1 . PHE 8 8 51523 1 . SER 9 9 51523 1 . PRO 10 10 51523 1 . ARG 11 11 51523 1 . SER 12 12 51523 1 . LYS 13 13 51523 1 . LYS 14 14 51523 1 . VAL 15 15 51523 1 . ARG 16 16 51523 1 . TYR 17 17 51523 1 . VAL 18 18 51523 1 . VAL 19 19 51523 1 . SER 20 20 51523 1 . LYS 21 21 51523 1 . ALA 22 22 51523 1 . SER 23 23 51523 1 . VAL 24 24 51523 1 . GLN 25 25 51523 1 . THR 26 26 51523 1 . GLN 27 27 51523 1 . PRO 28 28 51523 1 . ALA 29 29 51523 1 . ILE 30 30 51523 1 . LYS 31 31 51523 1 . LYS 32 32 51523 1 . ASP 33 33 51523 1 . ALA 34 34 51523 1 . SER 35 35 51523 1 . ALA 36 36 51523 1 . GLN 37 37 51523 1 . GLN 38 38 51523 1 . ASP 39 39 51523 1 . SER 40 40 51523 1 . TYR 41 41 51523 1 . GLU 42 42 51523 1 . PHE 43 43 51523 1 . VAL 44 44 51523 1 . SER 45 45 51523 1 . PRO 46 46 51523 1 . SER 47 47 51523 1 . PRO 48 48 51523 1 . PRO 49 49 51523 1 . ALA 50 50 51523 1 . ASP 51 51 51523 1 . VAL 52 52 51523 1 . SER 53 53 51523 1 . GLU 54 54 51523 1 . ARG 55 55 51523 1 . ALA 56 56 51523 1 . LYS 57 57 51523 1 . LYS 58 58 51523 1 . ALA 59 59 51523 1 . SER 60 60 51523 1 . ALA 61 61 51523 1 . ARG 62 62 51523 1 . SER 63 63 51523 1 . GLY 64 64 51523 1 . LYS 65 65 51523 1 . LYS 66 66 51523 1 . GLN 67 67 51523 1 . LYS 68 68 51523 1 . LYS 69 69 51523 1 . LYS 70 70 51523 1 . THR 71 71 51523 1 . LEU 72 72 51523 1 . ALA 73 73 51523 1 . GLU 74 74 51523 1 . ILE 75 75 51523 1 . ASN 76 76 51523 1 . GLN 77 77 51523 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 51523 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51523 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 51523 _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 . . pET28 . . . 51523 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51523 _Sample.ID 1 _Sample.Name '13C,15N BARD1 Ser-141-216' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BARD1 Ser-141-216' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51523 1 2 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 51523 1 3 MOPS-NaOH 'natural abundance' . . . . . . 25 . . mM . . . . 51523 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51523 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51523 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51523 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 51523 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MOPS pH 7' _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' 100 . mM 51523 1 pH 7.0 . pH 51523 1 pressure 1 . atm 51523 1 temperature 298 . K 51523 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51523 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51523 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51523 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version '9.6 rev 2018.143.16.03' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51523 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51523 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.0-b20 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51523 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 51523 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51523 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 4 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 7 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 8 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 1 9 '3D HNHA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51523 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 51523 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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 0 internal indirect . . . . . . 51523 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 51523 1 N 15 water protons . . . . ppm 0 internal indirect . . . . . . 51523 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 51523 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BARD1_S141-216 backbone assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51523 1 2 '2D 1H-13C HSQC' . . . 51523 1 3 '3D HNCACB' . . . 51523 1 4 '3D CBCACONH' . . . 51523 1 5 '3D HNCO' . . . 51523 1 6 '3D HN(CA)CO' . . . 51523 1 7 '3D HNCA' . . . 51523 1 8 '3D HN(CO)CA' . . . 51523 1 9 '3D HNHA' . . . 51523 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 2 $software_2 . . 51523 1 3 $software_3 . . 51523 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 SER C C 13 174.340 0.15 . 1 . . . . . 142 S C . 51523 1 2 . 1 . 1 3 3 SER CA C 13 58.494 0.2 . 1 . . . . . 142 S CA . 51523 1 3 . 1 . 1 3 3 SER CB C 13 63.801 0.2 . 1 . . . . . 142 S CB . 51523 1 4 . 1 . 1 4 4 ILE H H 1 8.113 0.01 . 1 . . . . . 143 I H . 51523 1 5 . 1 . 1 4 4 ILE HA H 1 4.136 0.01 . 1 . . . . . 143 I HA . 51523 1 6 . 1 . 1 4 4 ILE C C 13 176.059 0.15 . 1 . . . . . 143 I C . 51523 1 7 . 1 . 1 4 4 ILE CA C 13 61.332 0.2 . 1 . . . . . 143 I CA . 51523 1 8 . 1 . 1 4 4 ILE CB C 13 38.630 0.2 . 1 . . . . . 143 I CB . 51523 1 9 . 1 . 1 4 4 ILE N N 15 122.592 0.1 . 1 . . . . . 143 I N . 51523 1 10 . 1 . 1 5 5 LYS H H 1 8.275 0.01 . 1 . . . . . 144 K H . 51523 1 11 . 1 . 1 5 5 LYS HA H 1 4.234 0.01 . 1 . . . . . 144 K HA . 51523 1 12 . 1 . 1 5 5 LYS C C 13 176.124 0.15 . 1 . . . . . 144 K C . 51523 1 13 . 1 . 1 5 5 LYS CA C 13 56.281 0.2 . 1 . . . . . 144 K CA . 51523 1 14 . 1 . 1 5 5 LYS CB C 13 32.865 0.2 . 1 . . . . . 144 K CB . 51523 1 15 . 1 . 1 5 5 LYS N N 15 125.251 0.1 . 1 . . . . . 144 K N . 51523 1 16 . 1 . 1 6 6 MET H H 1 8.199 0.01 . 1 . . . . . 145 M H . 51523 1 17 . 1 . 1 6 6 MET HA H 1 4.432 0.01 . 1 . . . . . 145 M HA . 51523 1 18 . 1 . 1 6 6 MET C C 13 175.408 0.15 . 1 . . . . . 145 M C . 51523 1 19 . 1 . 1 6 6 MET CA C 13 55.324 0.2 . 1 . . . . . 145 M CA . 51523 1 20 . 1 . 1 6 6 MET CB C 13 32.928 0.2 . 1 . . . . . 145 M CB . 51523 1 21 . 1 . 1 6 6 MET N N 15 121.601 0.1 . 1 . . . . . 145 M N . 51523 1 22 . 1 . 1 7 7 TRP H H 1 8.056 0.01 . 1 . . . . . 146 W H . 51523 1 23 . 1 . 1 7 7 TRP HA H 1 4.595 0.01 . 1 . . . . . 146 W HA . 51523 1 24 . 1 . 1 7 7 TRP HD1 H 1 7.163 0.01 . 1 . . . . . 146 W HD1 . 51523 1 25 . 1 . 1 7 7 TRP HE1 H 1 10.111 0.01 . 1 . . . . . 146 W HE1 . 51523 1 26 . 1 . 1 7 7 TRP C C 13 175.279 0.15 . 1 . . . . . 146 W C . 51523 1 27 . 1 . 1 7 7 TRP CA C 13 57.239 0.2 . 1 . . . . . 146 W CA . 51523 1 28 . 1 . 1 7 7 TRP CB C 13 29.809 0.2 . 1 . . . . . 146 W CB . 51523 1 29 . 1 . 1 7 7 TRP N N 15 122.189 0.1 . 1 . . . . . 146 W N . 51523 1 30 . 1 . 1 7 7 TRP NE1 N 15 129.408 0.1 . 1 . . . . . 146 W NE1 . 51523 1 31 . 1 . 1 8 8 PHE H H 1 7.842 0.01 . 1 . . . . . 147 F H . 51523 1 32 . 1 . 1 8 8 PHE HA H 1 4.536 0.01 . 1 . . . . . 147 F HA . 51523 1 33 . 1 . 1 8 8 PHE C C 13 174.542 0.15 . 1 . . . . . 147 F C . 51523 1 34 . 1 . 1 8 8 PHE CA C 13 57.144 0.2 . 1 . . . . . 147 F CA . 51523 1 35 . 1 . 1 8 8 PHE CB C 13 40.107 0.2 . 1 . . . . . 147 F CB . 51523 1 36 . 1 . 1 8 8 PHE N N 15 121.747 0.1 . 1 . . . . . 147 F N . 51523 1 37 . 1 . 1 9 9 SER H H 1 8.078 0.01 . 1 . . . . . 148 S H . 51523 1 38 . 1 . 1 9 9 SER HA H 1 4.615 0.01 . 1 . . . . . 148 S HA . 51523 1 39 . 1 . 1 9 9 SER C C 13 172.704 0.15 . 1 . . . . . 148 S C . 51523 1 40 . 1 . 1 9 9 SER CA C 13 55.903 0.2 . 1 . . . . . 148 S CA . 51523 1 41 . 1 . 1 9 9 SER CB C 13 63.577 0.2 . 1 . . . . . 148 S CB . 51523 1 42 . 1 . 1 9 9 SER N N 15 118.715 0.1 . 1 . . . . . 148 S N . 51523 1 43 . 1 . 1 10 10 PRO C C 13 177.044 0.15 . 1 . . . . . 149 P C . 51523 1 44 . 1 . 1 10 10 PRO CA C 13 63.579 0.2 . 1 . . . . . 149 P CA . 51523 1 45 . 1 . 1 10 10 PRO CB C 13 32.075 0.2 . 1 . . . . . 149 P CB . 51523 1 46 . 1 . 1 11 11 ARG H H 1 8.314 0.01 . 1 . . . . . 150 R H . 51523 1 47 . 1 . 1 11 11 ARG HA H 1 4.584 0.01 . 1 . . . . . 150 R HA . 51523 1 48 . 1 . 1 11 11 ARG C C 13 176.481 0.15 . 1 . . . . . 150 R C . 51523 1 49 . 1 . 1 11 11 ARG CA C 13 56.390 0.2 . 1 . . . . . 150 R CA . 51523 1 50 . 1 . 1 11 11 ARG CB C 13 30.507 0.2 . 1 . . . . . 150 R CB . 51523 1 51 . 1 . 1 11 11 ARG N N 15 120.211 0.1 . 1 . . . . . 150 R N . 51523 1 52 . 1 . 1 12 12 SER H H 1 8.138 0.01 . 1 . . . . . 151 S H . 51523 1 53 . 1 . 1 12 12 SER HA H 1 4.395 0.01 . 1 . . . . . 151 S HA . 51523 1 54 . 1 . 1 12 12 SER C C 13 174.444 0.15 . 1 . . . . . 151 S C . 51523 1 55 . 1 . 1 12 12 SER CA C 13 58.376 0.2 . 1 . . . . . 151 S CA . 51523 1 56 . 1 . 1 12 12 SER CB C 13 63.984 0.2 . 1 . . . . . 151 S CB . 51523 1 57 . 1 . 1 12 12 SER N N 15 116.230 0.1 . 1 . . . . . 151 S N . 51523 1 58 . 1 . 1 13 13 LYS H H 1 8.316 0.01 . 1 . . . . . 152 K H . 51523 1 59 . 1 . 1 13 13 LYS HA H 1 4.290 0.01 . 1 . . . . . 152 K HA . 51523 1 60 . 1 . 1 13 13 LYS C C 13 176.306 0.15 . 1 . . . . . 152 K C . 51523 1 61 . 1 . 1 13 13 LYS CA C 13 55.731 0.2 . 1 . . . . . 152 K CA . 51523 1 62 . 1 . 1 13 13 LYS CB C 13 32.935 0.2 . 1 . . . . . 152 K CB . 51523 1 63 . 1 . 1 13 13 LYS N N 15 123.229 0.1 . 1 . . . . . 152 K N . 51523 1 64 . 1 . 1 14 14 LYS H H 1 8.243 0.01 . 1 . . . . . 153 K H . 51523 1 65 . 1 . 1 14 14 LYS HA H 1 4.542 0.01 . 1 . . . . . 153 K HA . 51523 1 66 . 1 . 1 14 14 LYS C C 13 176.336 0.15 . 1 . . . . . 153 K C . 51523 1 67 . 1 . 1 14 14 LYS CA C 13 56.359 0.2 . 1 . . . . . 153 K CA . 51523 1 68 . 1 . 1 14 14 LYS CB C 13 32.981 0.2 . 1 . . . . . 153 K CB . 51523 1 69 . 1 . 1 14 14 LYS N N 15 122.419 0.1 . 1 . . . . . 153 K N . 51523 1 70 . 1 . 1 15 15 VAL H H 1 8.090 0.01 . 1 . . . . . 154 V H . 51523 1 71 . 1 . 1 15 15 VAL HA H 1 4.052 0.01 . 1 . . . . . 154 V HA . 51523 1 72 . 1 . 1 15 15 VAL C C 13 175.520 0.15 . 1 . . . . . 154 V C . 51523 1 73 . 1 . 1 15 15 VAL CA C 13 62.224 0.2 . 1 . . . . . 154 V CA . 51523 1 74 . 1 . 1 15 15 VAL CB C 13 32.974 0.2 . 1 . . . . . 154 V CB . 51523 1 75 . 1 . 1 15 15 VAL N N 15 121.954 0.1 . 1 . . . . . 154 V N . 51523 1 76 . 1 . 1 16 16 ARG H H 1 8.316 0.01 . 1 . . . . . 155 R H . 51523 1 77 . 1 . 1 16 16 ARG HA H 1 4.299 0.01 . 1 . . . . . 155 R HA . 51523 1 78 . 1 . 1 16 16 ARG C C 13 175.361 0.15 . 1 . . . . . 155 R C . 51523 1 79 . 1 . 1 16 16 ARG CA C 13 55.837 0.2 . 1 . . . . . 155 R CA . 51523 1 80 . 1 . 1 16 16 ARG CB C 13 31.087 0.2 . 1 . . . . . 155 R CB . 51523 1 81 . 1 . 1 16 16 ARG N N 15 125.017 0.1 . 1 . . . . . 155 R N . 51523 1 82 . 1 . 1 17 17 TYR H H 1 8.223 0.01 . 1 . . . . . 156 Y H . 51523 1 83 . 1 . 1 17 17 TYR HA H 1 4.620 0.01 . 1 . . . . . 156 Y HA . 51523 1 84 . 1 . 1 17 17 TYR C C 13 175.167 0.15 . 1 . . . . . 156 Y C . 51523 1 85 . 1 . 1 17 17 TYR CA C 13 57.699 0.2 . 1 . . . . . 156 Y CA . 51523 1 86 . 1 . 1 17 17 TYR CB C 13 38.986 0.2 . 1 . . . . . 156 Y CB . 51523 1 87 . 1 . 1 17 17 TYR N N 15 122.581 0.1 . 1 . . . . . 156 Y N . 51523 1 88 . 1 . 1 18 18 VAL H H 1 8.123 0.01 . 1 . . . . . 157 V H . 51523 1 89 . 1 . 1 18 18 VAL HA H 1 4.083 0.01 . 1 . . . . . 157 V HA . 51523 1 90 . 1 . 1 18 18 VAL C C 13 175.432 0.15 . 1 . . . . . 157 V C . 51523 1 91 . 1 . 1 18 18 VAL CA C 13 62.025 0.2 . 1 . . . . . 157 V CA . 51523 1 92 . 1 . 1 18 18 VAL CB C 13 33.180 0.2 . 1 . . . . . 157 V CB . 51523 1 93 . 1 . 1 18 18 VAL N N 15 123.439 0.1 . 1 . . . . . 157 V N . 51523 1 94 . 1 . 1 19 19 VAL H H 1 8.238 0.01 . 1 . . . . . 158 V H . 51523 1 95 . 1 . 1 19 19 VAL HA H 1 4.070 0.01 . 1 . . . . . 158 V HA . 51523 1 96 . 1 . 1 19 19 VAL C C 13 175.974 0.15 . 1 . . . . . 158 V C . 51523 1 97 . 1 . 1 19 19 VAL CA C 13 62.285 0.2 . 1 . . . . . 158 V CA . 51523 1 98 . 1 . 1 19 19 VAL CB C 13 32.797 0.2 . 1 . . . . . 158 V CB . 51523 1 99 . 1 . 1 19 19 VAL N N 15 124.966 0.1 . 1 . . . . . 158 V N . 51523 1 100 . 1 . 1 20 20 SER H H 1 8.389 0.01 . 1 . . . . . 159 S H . 51523 1 101 . 1 . 1 20 20 SER HA H 1 4.459 0.01 . 1 . . . . . 159 S HA . 51523 1 102 . 1 . 1 20 20 SER C C 13 174.423 0.15 . 1 . . . . . 159 S C . 51523 1 103 . 1 . 1 20 20 SER CA C 13 58.141 0.2 . 1 . . . . . 159 S CA . 51523 1 104 . 1 . 1 20 20 SER CB C 13 64.006 0.2 . 1 . . . . . 159 S CB . 51523 1 105 . 1 . 1 20 20 SER N N 15 120.280 0.1 . 1 . . . . . 159 S N . 51523 1 106 . 1 . 1 21 21 LYS C C 13 176.124 0.15 . 1 . . . . . 160 K C . 51523 1 107 . 1 . 1 21 21 LYS CA C 13 56.395 0.2 . 1 . . . . . 160 K CA . 51523 1 108 . 1 . 1 21 21 LYS CB C 13 32.911 0.2 . 1 . . . . . 160 K CB . 51523 1 109 . 1 . 1 22 22 ALA H H 1 8.293 0.01 . 1 . . . . . 161 A H . 51523 1 110 . 1 . 1 22 22 ALA HA H 1 4.293 0.01 . 1 . . . . . 161 A HA . 51523 1 111 . 1 . 1 22 22 ALA C C 13 177.761 0.15 . 1 . . . . . 161 A C . 51523 1 112 . 1 . 1 22 22 ALA CA C 13 52.633 0.2 . 1 . . . . . 161 A CA . 51523 1 113 . 1 . 1 22 22 ALA CB C 13 19.222 0.2 . 1 . . . . . 161 A CB . 51523 1 114 . 1 . 1 22 22 ALA N N 15 124.986 0.1 . 1 . . . . . 161 A N . 51523 1 115 . 1 . 1 23 23 SER H H 1 8.260 0.01 . 1 . . . . . 162 S H . 51523 1 116 . 1 . 1 23 23 SER HA H 1 4.433 0.01 . 1 . . . . . 162 S HA . 51523 1 117 . 1 . 1 23 23 SER C C 13 174.470 0.15 . 1 . . . . . 162 S C . 51523 1 118 . 1 . 1 23 23 SER CA C 13 58.348 0.2 . 1 . . . . . 162 S CA . 51523 1 119 . 1 . 1 23 23 SER CB C 13 63.863 0.2 . 1 . . . . . 162 S CB . 51523 1 120 . 1 . 1 23 23 SER N N 15 115.391 0.1 . 1 . . . . . 162 S N . 51523 1 121 . 1 . 1 24 24 VAL H H 1 8.101 0.01 . 1 . . . . . 163 V H . 51523 1 122 . 1 . 1 24 24 VAL HA H 1 4.158 0.01 . 1 . . . . . 163 V HA . 51523 1 123 . 1 . 1 24 24 VAL C C 13 176.058 0.15 . 1 . . . . . 163 V C . 51523 1 124 . 1 . 1 24 24 VAL CA C 13 62.355 0.2 . 1 . . . . . 163 V CA . 51523 1 125 . 1 . 1 24 24 VAL CB C 13 32.680 0.2 . 1 . . . . . 163 V CB . 51523 1 126 . 1 . 1 24 24 VAL N N 15 121.478 0.1 . 1 . . . . . 163 V N . 51523 1 127 . 1 . 1 25 25 GLN H H 1 8.462 0.01 . 1 . . . . . 164 Q H . 51523 1 128 . 1 . 1 25 25 GLN HA H 1 4.407 0.01 . 1 . . . . . 164 Q HA . 51523 1 129 . 1 . 1 25 25 GLN C C 13 176.034 0.15 . 1 . . . . . 164 Q C . 51523 1 130 . 1 . 1 25 25 GLN CA C 13 55.804 0.2 . 1 . . . . . 164 Q CA . 51523 1 131 . 1 . 1 25 25 GLN CB C 13 29.513 0.2 . 1 . . . . . 164 Q CB . 51523 1 132 . 1 . 1 25 25 GLN N N 15 123.918 0.1 . 1 . . . . . 164 Q N . 51523 1 133 . 1 . 1 26 26 THR H H 1 8.201 0.01 . 1 . . . . . 165 T H . 51523 1 134 . 1 . 1 26 26 THR HA H 1 4.291 0.01 . 1 . . . . . 165 T HA . 51523 1 135 . 1 . 1 26 26 THR C C 13 174.177 0.15 . 1 . . . . . 165 T C . 51523 1 136 . 1 . 1 26 26 THR CA C 13 62.028 0.2 . 1 . . . . . 165 T CA . 51523 1 137 . 1 . 1 26 26 THR CB C 13 69.850 0.2 . 1 . . . . . 165 T CB . 51523 1 138 . 1 . 1 26 26 THR N N 15 116.097 0.1 . 1 . . . . . 165 T N . 51523 1 139 . 1 . 1 27 27 GLN H H 1 8.391 0.01 . 1 . . . . . 166 Q H . 51523 1 140 . 1 . 1 27 27 GLN HA H 1 4.631 0.01 . 1 . . . . . 166 Q HA . 51523 1 141 . 1 . 1 27 27 GLN C C 13 173.753 0.15 . 1 . . . . . 166 Q C . 51523 1 142 . 1 . 1 27 27 GLN CA C 13 53.768 0.2 . 1 . . . . . 166 Q CA . 51523 1 143 . 1 . 1 27 27 GLN CB C 13 28.927 0.2 . 1 . . . . . 166 Q CB . 51523 1 144 . 1 . 1 27 27 GLN N N 15 123.745 0.1 . 1 . . . . . 166 Q N . 51523 1 145 . 1 . 1 28 28 PRO C C 13 176.395 0.15 . 1 . . . . . 167 P C . 51523 1 146 . 1 . 1 28 28 PRO CA C 13 63.139 0.2 . 1 . . . . . 167 P CA . 51523 1 147 . 1 . 1 28 28 PRO CB C 13 32.105 0.2 . 1 . . . . . 167 P CB . 51523 1 148 . 1 . 1 29 29 ALA H H 1 8.373 0.01 . 1 . . . . . 168 A H . 51523 1 149 . 1 . 1 29 29 ALA HA H 1 4.296 0.01 . 1 . . . . . 168 A HA . 51523 1 150 . 1 . 1 29 29 ALA C C 13 177.649 0.15 . 1 . . . . . 168 A C . 51523 1 151 . 1 . 1 29 29 ALA CA C 13 52.455 0.2 . 1 . . . . . 168 A CA . 51523 1 152 . 1 . 1 29 29 ALA CB C 13 19.080 0.2 . 1 . . . . . 168 A CB . 51523 1 153 . 1 . 1 29 29 ALA N N 15 124.420 0.1 . 1 . . . . . 168 A N . 51523 1 154 . 1 . 1 30 30 ILE H H 1 8.079 0.01 . 1 . . . . . 169 I H . 51523 1 155 . 1 . 1 30 30 ILE HA H 1 4.103 0.01 . 1 . . . . . 169 I HA . 51523 1 156 . 1 . 1 30 30 ILE C C 13 176.062 0.15 . 1 . . . . . 169 I C . 51523 1 157 . 1 . 1 30 30 ILE CA C 13 61.002 0.2 . 1 . . . . . 169 I CA . 51523 1 158 . 1 . 1 30 30 ILE CB C 13 38.809 0.2 . 1 . . . . . 169 I CB . 51523 1 159 . 1 . 1 30 30 ILE N N 15 120.473 0.1 . 1 . . . . . 169 I N . 51523 1 160 . 1 . 1 31 31 LYS H H 1 8.376 0.01 . 1 . . . . . 170 K H . 51523 1 161 . 1 . 1 31 31 LYS HA H 1 4.315 0.01 . 1 . . . . . 170 K HA . 51523 1 162 . 1 . 1 31 31 LYS C C 13 176.204 0.15 . 1 . . . . . 170 K C . 51523 1 163 . 1 . 1 31 31 LYS CA C 13 56.172 0.2 . 1 . . . . . 170 K CA . 51523 1 164 . 1 . 1 31 31 LYS CB C 13 33.061 0.2 . 1 . . . . . 170 K CB . 51523 1 165 . 1 . 1 31 31 LYS N N 15 126.216 0.1 . 1 . . . . . 170 K N . 51523 1 166 . 1 . 1 32 32 LYS C C 13 176.129 0.15 . 1 . . . . . 171 K C . 51523 1 167 . 1 . 1 32 32 LYS CA C 13 56.514 0.2 . 1 . . . . . 171 K CA . 51523 1 168 . 1 . 1 32 32 LYS CB C 13 33.102 0.2 . 1 . . . . . 171 K CB . 51523 1 169 . 1 . 1 33 33 ASP H H 1 8.361 0.01 . 1 . . . . . 172 D H . 51523 1 170 . 1 . 1 33 33 ASP HA H 1 4.560 0.01 . 1 . . . . . 172 D HA . 51523 1 171 . 1 . 1 33 33 ASP C C 13 176.129 0.15 . 1 . . . . . 172 D C . 51523 1 172 . 1 . 1 33 33 ASP CA C 13 54.180 0.2 . 1 . . . . . 172 D CA . 51523 1 173 . 1 . 1 33 33 ASP CB C 13 41.305 0.2 . 1 . . . . . 172 D CB . 51523 1 174 . 1 . 1 33 33 ASP N N 15 121.795 0.1 . 1 . . . . . 172 D N . 51523 1 175 . 1 . 1 34 34 ALA H H 1 8.368 0.01 . 1 . . . . . 173 A H . 51523 1 176 . 1 . 1 34 34 ALA HA H 1 4.305 0.01 . 1 . . . . . 173 A HA . 51523 1 177 . 1 . 1 34 34 ALA C C 13 178.036 0.15 . 1 . . . . . 173 A C . 51523 1 178 . 1 . 1 34 34 ALA CA C 13 52.999 0.2 . 1 . . . . . 173 A CA . 51523 1 179 . 1 . 1 34 34 ALA CB C 13 19.056 0.2 . 1 . . . . . 173 A CB . 51523 1 180 . 1 . 1 34 34 ALA N N 15 125.169 0.1 . 1 . . . . . 173 A N . 51523 1 181 . 1 . 1 35 35 SER H H 1 8.342 0.01 . 1 . . . . . 174 S H . 51523 1 182 . 1 . 1 35 35 SER HA H 1 4.375 0.01 . 1 . . . . . 174 S HA . 51523 1 183 . 1 . 1 35 35 SER C C 13 174.426 0.15 . 1 . . . . . 174 S C . 51523 1 184 . 1 . 1 35 35 SER CA C 13 58.910 0.2 . 1 . . . . . 174 S CA . 51523 1 185 . 1 . 1 35 35 SER CB C 13 63.832 0.2 . 1 . . . . . 174 S CB . 51523 1 186 . 1 . 1 35 35 SER N N 15 114.760 0.1 . 1 . . . . . 174 S N . 51523 1 187 . 1 . 1 36 36 ALA H H 1 8.135 0.01 . 1 . . . . . 175 A H . 51523 1 188 . 1 . 1 36 36 ALA HA H 1 4.334 0.01 . 1 . . . . . 175 A HA . 51523 1 189 . 1 . 1 36 36 ALA C C 13 177.683 0.15 . 1 . . . . . 175 A C . 51523 1 190 . 1 . 1 36 36 ALA CA C 13 52.646 0.2 . 1 . . . . . 175 A CA . 51523 1 191 . 1 . 1 36 36 ALA CB C 13 19.170 0.2 . 1 . . . . . 175 A CB . 51523 1 192 . 1 . 1 36 36 ALA N N 15 125.454 0.1 . 1 . . . . . 175 A N . 51523 1 193 . 1 . 1 37 37 GLN H H 1 8.243 0.01 . 1 . . . . . 176 Q H . 51523 1 194 . 1 . 1 37 37 GLN HA H 1 4.286 0.01 . 1 . . . . . 176 Q HA . 51523 1 195 . 1 . 1 37 37 GLN C C 13 176.020 0.15 . 1 . . . . . 176 Q C . 51523 1 196 . 1 . 1 37 37 GLN CA C 13 55.985 0.2 . 1 . . . . . 176 Q CA . 51523 1 197 . 1 . 1 37 37 GLN CB C 13 29.279 0.2 . 1 . . . . . 176 Q CB . 51523 1 198 . 1 . 1 37 37 GLN N N 15 119.334 0.1 . 1 . . . . . 176 Q N . 51523 1 199 . 1 . 1 38 38 GLN H H 1 8.358 0.01 . 1 . . . . . 177 Q H . 51523 1 200 . 1 . 1 38 38 GLN HA H 1 4.288 0.01 . 1 . . . . . 177 Q HA . 51523 1 201 . 1 . 1 38 38 GLN C C 13 175.582 0.15 . 1 . . . . . 177 Q C . 51523 1 202 . 1 . 1 38 38 GLN CA C 13 56.167 0.2 . 1 . . . . . 177 Q CA . 51523 1 203 . 1 . 1 38 38 GLN CB C 13 29.433 0.2 . 1 . . . . . 177 Q CB . 51523 1 204 . 1 . 1 38 38 GLN N N 15 121.392 0.1 . 1 . . . . . 177 Q N . 51523 1 205 . 1 . 1 39 39 ASP H H 1 8.392 0.01 . 1 . . . . . 178 D H . 51523 1 206 . 1 . 1 39 39 ASP HA H 1 4.584 0.01 . 1 . . . . . 178 D HA . 51523 1 207 . 1 . 1 39 39 ASP C C 13 176.086 0.15 . 1 . . . . . 178 D C . 51523 1 208 . 1 . 1 39 39 ASP CA C 13 54.616 0.2 . 1 . . . . . 178 D CA . 51523 1 209 . 1 . 1 39 39 ASP CB C 13 41.272 0.2 . 1 . . . . . 178 D CB . 51523 1 210 . 1 . 1 39 39 ASP N N 15 121.520 0.1 . 1 . . . . . 178 D N . 51523 1 211 . 1 . 1 40 40 SER H H 1 8.129 0.01 . 1 . . . . . 179 S H . 51523 1 212 . 1 . 1 40 40 SER HA H 1 4.390 0.01 . 1 . . . . . 179 S HA . 51523 1 213 . 1 . 1 40 40 SER C C 13 174.154 0.15 . 1 . . . . . 179 S C . 51523 1 214 . 1 . 1 40 40 SER CA C 13 58.342 0.2 . 1 . . . . . 179 S CA . 51523 1 215 . 1 . 1 40 40 SER CB C 13 63.921 0.2 . 1 . . . . . 179 S CB . 51523 1 216 . 1 . 1 40 40 SER N N 15 115.412 0.1 . 1 . . . . . 179 S N . 51523 1 217 . 1 . 1 41 41 TYR H H 1 8.208 0.01 . 1 . . . . . 180 Y H . 51523 1 218 . 1 . 1 41 41 TYR HA H 1 4.542 0.01 . 1 . . . . . 180 Y HA . 51523 1 219 . 1 . 1 41 41 TYR C C 13 175.480 0.15 . 1 . . . . . 180 Y C . 51523 1 220 . 1 . 1 41 41 TYR CA C 13 58.151 0.2 . 1 . . . . . 180 Y CA . 51523 1 221 . 1 . 1 41 41 TYR CB C 13 38.727 0.2 . 1 . . . . . 180 Y CB . 51523 1 222 . 1 . 1 41 41 TYR N N 15 122.164 0.1 . 1 . . . . . 180 Y N . 51523 1 223 . 1 . 1 42 42 GLU H H 1 8.167 0.01 . 1 . . . . . 181 E H . 51523 1 224 . 1 . 1 42 42 GLU HA H 1 4.184 0.01 . 1 . . . . . 181 E HA . 51523 1 225 . 1 . 1 42 42 GLU C C 13 175.512 0.15 . 1 . . . . . 181 E C . 51523 1 226 . 1 . 1 42 42 GLU CA C 13 56.527 0.2 . 1 . . . . . 181 E CA . 51523 1 227 . 1 . 1 42 42 GLU CB C 13 30.484 0.2 . 1 . . . . . 181 E CB . 51523 1 228 . 1 . 1 42 42 GLU N N 15 121.995 0.1 . 1 . . . . . 181 E N . 51523 1 229 . 1 . 1 43 43 PHE H H 1 8.146 0.01 . 1 . . . . . 182 F H . 51523 1 230 . 1 . 1 43 43 PHE HA H 1 4.599 0.01 . 1 . . . . . 182 F HA . 51523 1 231 . 1 . 1 43 43 PHE C C 13 175.303 0.15 . 1 . . . . . 182 F C . 51523 1 232 . 1 . 1 43 43 PHE CA C 13 57.858 0.2 . 1 . . . . . 182 F CA . 51523 1 233 . 1 . 1 43 43 PHE CB C 13 39.690 0.2 . 1 . . . . . 182 F CB . 51523 1 234 . 1 . 1 43 43 PHE N N 15 121.341 0.1 . 1 . . . . . 182 F N . 51523 1 235 . 1 . 1 44 44 VAL H H 1 7.947 0.01 . 1 . . . . . 183 V H . 51523 1 236 . 1 . 1 44 44 VAL HA H 1 4.071 0.01 . 1 . . . . . 183 V HA . 51523 1 237 . 1 . 1 44 44 VAL C C 13 175.288 0.15 . 1 . . . . . 183 V C . 51523 1 238 . 1 . 1 44 44 VAL CA C 13 61.825 0.2 . 1 . . . . . 183 V CA . 51523 1 239 . 1 . 1 44 44 VAL CB C 13 33.111 0.2 . 1 . . . . . 183 V CB . 51523 1 240 . 1 . 1 44 44 VAL N N 15 123.150 0.1 . 1 . . . . . 183 V N . 51523 1 241 . 1 . 1 45 45 SER H H 1 8.366 0.01 . 1 . . . . . 184 S H . 51523 1 242 . 1 . 1 45 45 SER HA H 1 4.616 0.01 . 1 . . . . . 184 S HA . 51523 1 243 . 1 . 1 45 45 SER C C 13 172.649 0.15 . 1 . . . . . 184 S C . 51523 1 244 . 1 . 1 45 45 SER CA C 13 56.754 0.2 . 1 . . . . . 184 S CA . 51523 1 245 . 1 . 1 45 45 SER CB C 13 63.481 0.2 . 1 . . . . . 184 S CB . 51523 1 246 . 1 . 1 45 45 SER N N 15 121.401 0.1 . 1 . . . . . 184 S N . 51523 1 247 . 1 . 1 46 46 PRO C C 13 176.724 0.15 . 1 . . . . . 185 P C . 51523 1 248 . 1 . 1 46 46 PRO CA C 13 63.825 0.2 . 1 . . . . . 185 P CA . 51523 1 249 . 1 . 1 46 46 PRO CB C 13 32.079 0.2 . 1 . . . . . 185 P CB . 51523 1 250 . 1 . 1 47 47 SER H H 1 8.354 0.01 . 1 . . . . . 186 S H . 51523 1 251 . 1 . 1 47 47 SER HA H 1 4.716 0.01 . 1 . . . . . 186 S HA . 51523 1 252 . 1 . 1 47 47 SER C C 13 171.810 0.15 . 1 . . . . . 186 S C . 51523 1 253 . 1 . 1 47 47 SER CA C 13 56.667 0.2 . 1 . . . . . 186 S CA . 51523 1 254 . 1 . 1 47 47 SER CB C 13 63.825 0.2 . 1 . . . . . 186 S CB . 51523 1 255 . 1 . 1 47 47 SER N N 15 117.808 0.1 . 1 . . . . . 186 S N . 51523 1 256 . 1 . 1 49 49 PRO C C 13 176.727 0.15 . 1 . . . . . 188 P C . 51523 1 257 . 1 . 1 49 49 PRO CA C 13 63.071 0.2 . 1 . . . . . 188 P CA . 51523 1 258 . 1 . 1 49 49 PRO CB C 13 31.990 0.2 . 1 . . . . . 188 P CB . 51523 1 259 . 1 . 1 50 50 ALA H H 1 8.422 0.01 . 1 . . . . . 189 A H . 51523 1 260 . 1 . 1 50 50 ALA HA H 1 4.253 0.01 . 1 . . . . . 189 A HA . 51523 1 261 . 1 . 1 50 50 ALA C C 13 177.670 0.15 . 1 . . . . . 189 A C . 51523 1 262 . 1 . 1 50 50 ALA CA C 13 52.756 0.2 . 1 . . . . . 189 A CA . 51523 1 263 . 1 . 1 50 50 ALA CB C 13 19.198 0.2 . 1 . . . . . 189 A CB . 51523 1 264 . 1 . 1 50 50 ALA N N 15 124.041 0.1 . 1 . . . . . 189 A N . 51523 1 265 . 1 . 1 51 51 ASP H H 1 8.319 0.01 . 1 . . . . . 190 D H . 51523 1 266 . 1 . 1 51 51 ASP HA H 1 4.594 0.01 . 1 . . . . . 190 D HA . 51523 1 267 . 1 . 1 51 51 ASP C C 13 176.779 0.15 . 1 . . . . . 190 D C . 51523 1 268 . 1 . 1 51 51 ASP CA C 13 54.329 0.2 . 1 . . . . . 190 D CA . 51523 1 269 . 1 . 1 51 51 ASP CB C 13 41.171 0.2 . 1 . . . . . 190 D CB . 51523 1 270 . 1 . 1 51 51 ASP N N 15 119.288 0.1 . 1 . . . . . 190 D N . 51523 1 271 . 1 . 1 52 52 VAL H H 1 8.087 0.01 . 1 . . . . . 191 V H . 51523 1 272 . 1 . 1 52 52 VAL HA H 1 4.103 0.01 . 1 . . . . . 191 V HA . 51523 1 273 . 1 . 1 52 52 VAL C C 13 176.785 0.15 . 1 . . . . . 191 V C . 51523 1 274 . 1 . 1 52 52 VAL CA C 13 63.122 0.2 . 1 . . . . . 191 V CA . 51523 1 275 . 1 . 1 52 52 VAL CB C 13 32.170 0.2 . 1 . . . . . 191 V CB . 51523 1 276 . 1 . 1 52 52 VAL N N 15 120.152 0.1 . 1 . . . . . 191 V N . 51523 1 277 . 1 . 1 53 53 SER H H 1 8.353 0.01 . 1 . . . . . 192 S H . 51523 1 278 . 1 . 1 53 53 SER HA H 1 4.357 0.01 . 1 . . . . . 192 S HA . 51523 1 279 . 1 . 1 53 53 SER C C 13 175.375 0.15 . 1 . . . . . 192 S C . 51523 1 280 . 1 . 1 53 53 SER CA C 13 59.558 0.2 . 1 . . . . . 192 S CA . 51523 1 281 . 1 . 1 53 53 SER CB C 13 63.707 0.2 . 1 . . . . . 192 S CB . 51523 1 282 . 1 . 1 53 53 SER N N 15 118.473 0.1 . 1 . . . . . 192 S N . 51523 1 283 . 1 . 1 54 54 GLU H H 1 8.380 0.01 . 1 . . . . . 193 E H . 51523 1 284 . 1 . 1 54 54 GLU HA H 1 4.193 0.01 . 1 . . . . . 193 E HA . 51523 1 285 . 1 . 1 54 54 GLU C C 13 177.574 0.15 . 1 . . . . . 193 E C . 51523 1 286 . 1 . 1 54 54 GLU CA C 13 57.886 0.2 . 1 . . . . . 193 E CA . 51523 1 287 . 1 . 1 54 54 GLU CB C 13 29.788 0.2 . 1 . . . . . 193 E CB . 51523 1 288 . 1 . 1 54 54 GLU N N 15 122.534 0.1 . 1 . . . . . 193 E N . 51523 1 289 . 1 . 1 55 55 ARG H H 1 8.146 0.01 . 1 . . . . . 194 R H . 51523 1 290 . 1 . 1 55 55 ARG HA H 1 4.156 0.01 . 1 . . . . . 194 R HA . 51523 1 291 . 1 . 1 55 55 ARG C C 13 177.203 0.15 . 1 . . . . . 194 R C . 51523 1 292 . 1 . 1 55 55 ARG CA C 13 57.724 0.2 . 1 . . . . . 194 R CA . 51523 1 293 . 1 . 1 55 55 ARG CB C 13 30.256 0.2 . 1 . . . . . 194 R CB . 51523 1 294 . 1 . 1 55 55 ARG N N 15 120.316 0.1 . 1 . . . . . 194 R N . 51523 1 295 . 1 . 1 56 56 ALA H H 1 8.045 0.01 . 1 . . . . . 195 A H . 51523 1 296 . 1 . 1 56 56 ALA HA H 1 4.247 0.01 . 1 . . . . . 195 A HA . 51523 1 297 . 1 . 1 56 56 ALA C C 13 178.592 0.15 . 1 . . . . . 195 A C . 51523 1 298 . 1 . 1 56 56 ALA CA C 13 53.313 0.2 . 1 . . . . . 195 A CA . 51523 1 299 . 1 . 1 56 56 ALA CB C 13 18.798 0.2 . 1 . . . . . 195 A CB . 51523 1 300 . 1 . 1 56 56 ALA N N 15 123.159 0.1 . 1 . . . . . 195 A N . 51523 1 301 . 1 . 1 57 57 LYS H H 1 8.045 0.01 . 1 . . . . . 196 K H . 51523 1 302 . 1 . 1 57 57 LYS HA H 1 4.205 0.01 . 1 . . . . . 196 K HA . 51523 1 303 . 1 . 1 57 57 LYS C C 13 177.525 0.15 . 1 . . . . . 196 K C . 51523 1 304 . 1 . 1 57 57 LYS CA C 13 57.285 0.2 . 1 . . . . . 196 K CA . 51523 1 305 . 1 . 1 57 57 LYS CB C 13 32.824 0.2 . 1 . . . . . 196 K CB . 51523 1 306 . 1 . 1 57 57 LYS N N 15 119.972 0.1 . 1 . . . . . 196 K N . 51523 1 307 . 1 . 1 58 58 LYS H H 1 8.139 0.01 . 1 . . . . . 197 K H . 51523 1 308 . 1 . 1 58 58 LYS HA H 1 4.247 0.01 . 1 . . . . . 197 K HA . 51523 1 309 . 1 . 1 58 58 LYS C C 13 176.946 0.15 . 1 . . . . . 197 K C . 51523 1 310 . 1 . 1 58 58 LYS CA C 13 56.924 0.2 . 1 . . . . . 197 K CA . 51523 1 311 . 1 . 1 58 58 LYS CB C 13 32.849 0.2 . 1 . . . . . 197 K CB . 51523 1 312 . 1 . 1 58 58 LYS N N 15 121.414 0.1 . 1 . . . . . 197 K N . 51523 1 313 . 1 . 1 59 59 ALA H H 1 8.208 0.01 . 1 . . . . . 198 A H . 51523 1 314 . 1 . 1 59 59 ALA HA H 1 4.260 0.01 . 1 . . . . . 198 A HA . 51523 1 315 . 1 . 1 59 59 ALA C C 13 178.306 0.15 . 1 . . . . . 198 A C . 51523 1 316 . 1 . 1 59 59 ALA CA C 13 53.118 0.2 . 1 . . . . . 198 A CA . 51523 1 317 . 1 . 1 59 59 ALA CB C 13 18.966 0.2 . 1 . . . . . 198 A CB . 51523 1 318 . 1 . 1 59 59 ALA N N 15 124.402 0.1 . 1 . . . . . 198 A N . 51523 1 319 . 1 . 1 60 60 SER H H 1 8.196 0.01 . 1 . . . . . 199 S H . 51523 1 320 . 1 . 1 60 60 SER C C 13 174.647 0.15 . 1 . . . . . 199 S C . 51523 1 321 . 1 . 1 60 60 SER CA C 13 58.820 0.2 . 1 . . . . . 199 S CA . 51523 1 322 . 1 . 1 60 60 SER CB C 13 63.810 0.2 . 1 . . . . . 199 S CB . 51523 1 323 . 1 . 1 60 60 SER N N 15 114.747 0.1 . 1 . . . . . 199 S N . 51523 1 324 . 1 . 1 61 61 ALA H H 1 8.188 0.01 . 1 . . . . . 200 A H . 51523 1 325 . 1 . 1 61 61 ALA C C 13 177.976 0.15 . 1 . . . . . 200 A C . 51523 1 326 . 1 . 1 61 61 ALA CA C 13 52.747 0.2 . 1 . . . . . 200 A CA . 51523 1 327 . 1 . 1 61 61 ALA CB C 13 19.113 0.2 . 1 . . . . . 200 A CB . 51523 1 328 . 1 . 1 61 61 ALA N N 15 125.596 0.1 . 1 . . . . . 200 A N . 51523 1 329 . 1 . 1 62 62 ARG H H 1 8.204 0.01 . 1 . . . . . 201 R H . 51523 1 330 . 1 . 1 62 62 ARG C C 13 176.571 0.15 . 1 . . . . . 201 R C . 51523 1 331 . 1 . 1 62 62 ARG CA C 13 56.545 0.2 . 1 . . . . . 201 R CA . 51523 1 332 . 1 . 1 62 62 ARG CB C 13 30.573 0.2 . 1 . . . . . 201 R CB . 51523 1 333 . 1 . 1 62 62 ARG N N 15 119.604 0.1 . 1 . . . . . 201 R N . 51523 1 334 . 1 . 1 63 63 SER C C 13 175.000 0.15 . 1 . . . . . 202 S C . 51523 1 335 . 1 . 1 63 63 SER CA C 13 58.534 0.2 . 1 . . . . . 202 S CA . 51523 1 336 . 1 . 1 63 63 SER CB C 13 63.952 0.2 . 1 . . . . . 202 S CB . 51523 1 337 . 1 . 1 64 64 GLY H H 1 8.400 0.01 . 1 . . . . . 203 G H . 51523 1 338 . 1 . 1 64 64 GLY C C 13 174.044 0.15 . 1 . . . . . 203 G C . 51523 1 339 . 1 . 1 64 64 GLY CA C 13 45.454 0.2 . 1 . . . . . 203 G CA . 51523 1 340 . 1 . 1 64 64 GLY N N 15 110.880 0.1 . 1 . . . . . 203 G N . 51523 1 341 . 1 . 1 65 65 LYS H H 1 8.159 0.01 . 1 . . . . . 204 K H . 51523 1 342 . 1 . 1 65 65 LYS C C 13 176.718 0.15 . 1 . . . . . 204 K C . 51523 1 343 . 1 . 1 65 65 LYS CA C 13 56.592 0.2 . 1 . . . . . 204 K CA . 51523 1 344 . 1 . 1 65 65 LYS CB C 13 33.129 0.2 . 1 . . . . . 204 K CB . 51523 1 345 . 1 . 1 65 65 LYS N N 15 120.907 0.1 . 1 . . . . . 204 K N . 51523 1 346 . 1 . 1 66 66 LYS C C 13 176.668 0.15 . 1 . . . . . 205 K C . 51523 1 347 . 1 . 1 66 66 LYS CA C 13 56.429 0.2 . 1 . . . . . 205 K CA . 51523 1 348 . 1 . 1 66 66 LYS CB C 13 32.985 0.2 . 1 . . . . . 205 K CB . 51523 1 349 . 1 . 1 67 67 GLN H H 1 8.379 0.01 . 1 . . . . . 206 Q H . 51523 1 350 . 1 . 1 67 67 GLN C C 13 176.557 0.15 . 1 . . . . . 206 Q C . 51523 1 351 . 1 . 1 67 67 GLN CA C 13 56.429 0.2 . 1 . . . . . 206 Q CA . 51523 1 352 . 1 . 1 67 67 GLN CB C 13 29.996 0.2 . 1 . . . . . 206 Q CB . 51523 1 353 . 1 . 1 67 67 GLN N N 15 122.748 0.1 . 1 . . . . . 206 Q N . 51523 1 354 . 1 . 1 70 70 LYS C C 13 176.658 0.15 . 1 . . . . . 209 K C . 51523 1 355 . 1 . 1 70 70 LYS CA C 13 56.655 0.2 . 1 . . . . . 209 K CA . 51523 1 356 . 1 . 1 70 70 LYS CB C 13 33.260 0.2 . 1 . . . . . 209 K CB . 51523 1 357 . 1 . 1 71 71 THR H H 1 8.271 0.01 . 1 . . . . . 210 T H . 51523 1 358 . 1 . 1 71 71 THR HA H 1 4.355 0.01 . 1 . . . . . 210 T HA . 51523 1 359 . 1 . 1 71 71 THR C C 13 174.470 0.15 . 1 . . . . . 210 T C . 51523 1 360 . 1 . 1 71 71 THR CA C 13 61.603 0.2 . 1 . . . . . 210 T CA . 51523 1 361 . 1 . 1 71 71 THR CB C 13 70.192 0.2 . 1 . . . . . 210 T CB . 51523 1 362 . 1 . 1 71 71 THR N N 15 115.899 0.1 . 1 . . . . . 210 T N . 51523 1 363 . 1 . 1 72 72 LEU H H 1 8.319 0.01 . 1 . . . . . 211 L H . 51523 1 364 . 1 . 1 72 72 LEU HA H 1 4.290 0.01 . 1 . . . . . 211 L HA . 51523 1 365 . 1 . 1 72 72 LEU C C 13 177.267 0.15 . 1 . . . . . 211 L C . 51523 1 366 . 1 . 1 72 72 LEU CA C 13 55.720 0.2 . 1 . . . . . 211 L CA . 51523 1 367 . 1 . 1 72 72 LEU CB C 13 42.214 0.2 . 1 . . . . . 211 L CB . 51523 1 368 . 1 . 1 72 72 LEU N N 15 123.974 0.1 . 1 . . . . . 211 L N . 51523 1 369 . 1 . 1 73 73 ALA H H 1 8.187 0.01 . 1 . . . . . 212 A H . 51523 1 370 . 1 . 1 73 73 ALA HA H 1 4.263 0.01 . 1 . . . . . 212 A HA . 51523 1 371 . 1 . 1 73 73 ALA C C 13 177.854 0.15 . 1 . . . . . 212 A C . 51523 1 372 . 1 . 1 73 73 ALA CA C 13 52.814 0.2 . 1 . . . . . 212 A CA . 51523 1 373 . 1 . 1 73 73 ALA CB C 13 19.095 0.2 . 1 . . . . . 212 A CB . 51523 1 374 . 1 . 1 73 73 ALA N N 15 123.466 0.1 . 1 . . . . . 212 A N . 51523 1 375 . 1 . 1 74 74 GLU H H 1 8.149 0.01 . 1 . . . . . 213 E H . 51523 1 376 . 1 . 1 74 74 GLU HA H 1 4.244 0.01 . 1 . . . . . 213 E HA . 51523 1 377 . 1 . 1 74 74 GLU C C 13 176.582 0.15 . 1 . . . . . 213 E C . 51523 1 378 . 1 . 1 74 74 GLU CA C 13 56.749 0.2 . 1 . . . . . 213 E CA . 51523 1 379 . 1 . 1 74 74 GLU CB C 13 30.383 0.2 . 1 . . . . . 213 E CB . 51523 1 380 . 1 . 1 74 74 GLU N N 15 119.374 0.1 . 1 . . . . . 213 E N . 51523 1 381 . 1 . 1 75 75 ILE H H 1 8.034 0.01 . 1 . . . . . 214 I H . 51523 1 382 . 1 . 1 75 75 ILE HA H 1 4.144 0.01 . 1 . . . . . 214 I HA . 51523 1 383 . 1 . 1 75 75 ILE C C 13 175.846 0.15 . 1 . . . . . 214 I C . 51523 1 384 . 1 . 1 75 75 ILE CA C 13 61.511 0.2 . 1 . . . . . 214 I CA . 51523 1 385 . 1 . 1 75 75 ILE CB C 13 38.863 0.2 . 1 . . . . . 214 I CB . 51523 1 386 . 1 . 1 75 75 ILE N N 15 120.650 0.1 . 1 . . . . . 214 I N . 51523 1 387 . 1 . 1 76 76 ASN H H 1 8.423 0.01 . 1 . . . . . 215 N H . 51523 1 388 . 1 . 1 76 76 ASN HA H 1 4.753 0.01 . 1 . . . . . 215 N HA . 51523 1 389 . 1 . 1 76 76 ASN C C 13 174.002 0.15 . 1 . . . . . 215 N C . 51523 1 390 . 1 . 1 76 76 ASN CA C 13 53.467 0.2 . 1 . . . . . 215 N CA . 51523 1 391 . 1 . 1 76 76 ASN CB C 13 38.999 0.2 . 1 . . . . . 215 N CB . 51523 1 392 . 1 . 1 76 76 ASN N N 15 122.248 0.1 . 1 . . . . . 215 N N . 51523 1 393 . 1 . 1 77 77 GLN H H 1 7.879 0.01 . 1 . . . . . 216 Q H . 51523 1 394 . 1 . 1 77 77 GLN HA H 1 4.149 0.01 . 1 . . . . . 216 Q HA . 51523 1 395 . 1 . 1 77 77 GLN CA C 13 57.487 0.2 . 1 . . . . . 216 Q CA . 51523 1 396 . 1 . 1 77 77 GLN CB C 13 30.438 0.2 . 1 . . . . . 216 Q CB . 51523 1 397 . 1 . 1 77 77 GLN N N 15 125.485 0.1 . 1 . . . . . 216 Q N . 51523 1 stop_ save_