data_52026 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52026 _Entry.Title ; NMR assignment of the interlinker domain (res. 176 to 246) of the Nucleocapsid Protein of SARS-CoV-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-12 _Entry.Accession_date 2023-07-12 _Entry.Last_release_date 2023-07-12 _Entry.Original_release_date 2023-07-12 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR assignment of the interlinker domain, comprising residues 176 to 246, of the Nucleocapsid Protein of SARS-CoV-2' _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 Guillem 'Hernandez Gras' . . . 0000-0003-4438-5611 52026 2 Maria Martins . . . . 52026 3 Tiago Veloso . . . . 52026 4 Joao Lopes . . . . 52026 5 Laura Castro . . . . 52026 6 Tiago Gomes . . . . 52026 7 Tiago Cordeiro . . . . 52026 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Tecnologia Quimica e Biologica Antonio Xavier - Universidade Nova de Lisboa' . 52026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 217 52026 '15N chemical shifts' 76 52026 '1H chemical shifts' 76 52026 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 . . 2025-06-18 . original BMRB . 52026 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52026 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40503686 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamic ensembles of SARS-CoV-2 N-protein reveal head-to-head coiled-coil-driven oligomerization and phase separation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 53 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 gkaf502 _Citation.Page_last gkaf502 _Citation.Year 2025 _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 Guillem 'Hernandez Gras' . . . . 52026 1 2 Maria Martins . . . . 52026 1 3 Tiago Veloso . . . . 52026 1 4 Joao Lopes . . . . 52026 1 5 Laura Castro . . . . 52026 1 6 Tiago Gomes . . . . 52026 1 7 Tiago Cordeiro . . . . 52026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52026 _Assembly.ID 1 _Assembly.Name homodimer _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 16800 _Assembly.Enzyme_commission_number . _Assembly.Details Homodimer _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 'N3, chain 1' 1 $entity_1 . . yes native no no . . . 52026 1 2 'N3, chain 2' 1 $entity_1 . . yes native no no . . . 52026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52026 _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 ; GPSRGGSQASSRSSSRSRNS SRNSTPGSSRGTSPARMAGN GGDAALALLLLDRLNQLESK MSGKGQQQQGQTVWSHPQFE K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; GP-176 SRGGSQASSRSSSRSRNS SRNSTPGSSRGTSPARMAGN GGDAALALLLLDRLNQLESK MSGKGQQQQGQTV 246-WSHPQFEK ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'N3 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8400 _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 1 174 GLY . 52026 1 2 175 PRO . 52026 1 3 176 SER . 52026 1 4 177 ARG . 52026 1 5 178 GLY . 52026 1 6 179 GLY . 52026 1 7 180 SER . 52026 1 8 181 GLN . 52026 1 9 182 ALA . 52026 1 10 183 SER . 52026 1 11 184 SER . 52026 1 12 185 ARG . 52026 1 13 186 SER . 52026 1 14 187 SER . 52026 1 15 188 SER . 52026 1 16 189 ARG . 52026 1 17 190 SER . 52026 1 18 191 ARG . 52026 1 19 192 ASN . 52026 1 20 193 SER . 52026 1 21 194 SER . 52026 1 22 195 ARG . 52026 1 23 196 ASN . 52026 1 24 197 SER . 52026 1 25 198 THR . 52026 1 26 199 PRO . 52026 1 27 200 GLY . 52026 1 28 201 SER . 52026 1 29 202 SER . 52026 1 30 203 ARG . 52026 1 31 204 GLY . 52026 1 32 205 THR . 52026 1 33 206 SER . 52026 1 34 207 PRO . 52026 1 35 208 ALA . 52026 1 36 209 ARG . 52026 1 37 210 MET . 52026 1 38 211 ALA . 52026 1 39 212 GLY . 52026 1 40 213 ASN . 52026 1 41 214 GLY . 52026 1 42 215 GLY . 52026 1 43 216 ASP . 52026 1 44 217 ALA . 52026 1 45 218 ALA . 52026 1 46 219 LEU . 52026 1 47 220 ALA . 52026 1 48 221 LEU . 52026 1 49 222 LEU . 52026 1 50 223 LEU . 52026 1 51 224 LEU . 52026 1 52 225 ASP . 52026 1 53 226 ARG . 52026 1 54 227 LEU . 52026 1 55 228 ASN . 52026 1 56 229 GLN . 52026 1 57 230 LEU . 52026 1 58 231 GLU . 52026 1 59 232 SER . 52026 1 60 233 LYS . 52026 1 61 234 MET . 52026 1 62 235 SER . 52026 1 63 236 GLY . 52026 1 64 237 LYS . 52026 1 65 238 GLY . 52026 1 66 239 GLN . 52026 1 67 240 GLN . 52026 1 68 241 GLN . 52026 1 69 242 GLN . 52026 1 70 243 GLY . 52026 1 71 244 GLN . 52026 1 72 245 THR . 52026 1 73 246 VAL . 52026 1 74 247 TRP . 52026 1 75 248 SER . 52026 1 76 249 HIS . 52026 1 77 250 PRO . 52026 1 78 251 GLN . 52026 1 79 252 PHE . 52026 1 80 253 GLU . 52026 1 81 254 LYS . 52026 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 52026 1 . PRO 2 2 52026 1 . SER 3 3 52026 1 . ARG 4 4 52026 1 . GLY 5 5 52026 1 . GLY 6 6 52026 1 . SER 7 7 52026 1 . GLN 8 8 52026 1 . ALA 9 9 52026 1 . SER 10 10 52026 1 . SER 11 11 52026 1 . ARG 12 12 52026 1 . SER 13 13 52026 1 . SER 14 14 52026 1 . SER 15 15 52026 1 . ARG 16 16 52026 1 . SER 17 17 52026 1 . ARG 18 18 52026 1 . ASN 19 19 52026 1 . SER 20 20 52026 1 . SER 21 21 52026 1 . ARG 22 22 52026 1 . ASN 23 23 52026 1 . SER 24 24 52026 1 . THR 25 25 52026 1 . PRO 26 26 52026 1 . GLY 27 27 52026 1 . SER 28 28 52026 1 . SER 29 29 52026 1 . ARG 30 30 52026 1 . GLY 31 31 52026 1 . THR 32 32 52026 1 . SER 33 33 52026 1 . PRO 34 34 52026 1 . ALA 35 35 52026 1 . ARG 36 36 52026 1 . MET 37 37 52026 1 . ALA 38 38 52026 1 . GLY 39 39 52026 1 . ASN 40 40 52026 1 . GLY 41 41 52026 1 . GLY 42 42 52026 1 . ASP 43 43 52026 1 . ALA 44 44 52026 1 . ALA 45 45 52026 1 . LEU 46 46 52026 1 . ALA 47 47 52026 1 . LEU 48 48 52026 1 . LEU 49 49 52026 1 . LEU 50 50 52026 1 . LEU 51 51 52026 1 . ASP 52 52 52026 1 . ARG 53 53 52026 1 . LEU 54 54 52026 1 . ASN 55 55 52026 1 . GLN 56 56 52026 1 . LEU 57 57 52026 1 . GLU 58 58 52026 1 . SER 59 59 52026 1 . LYS 60 60 52026 1 . MET 61 61 52026 1 . SER 62 62 52026 1 . GLY 63 63 52026 1 . LYS 64 64 52026 1 . GLY 65 65 52026 1 . GLN 66 66 52026 1 . GLN 67 67 52026 1 . GLN 68 68 52026 1 . GLN 69 69 52026 1 . GLY 70 70 52026 1 . GLN 71 71 52026 1 . THR 72 72 52026 1 . VAL 73 73 52026 1 . TRP 74 74 52026 1 . SER 75 75 52026 1 . HIS 76 76 52026 1 . PRO 77 77 52026 1 . GLN 78 78 52026 1 . PHE 79 79 52026 1 . GLU 80 80 52026 1 . LYS 81 81 52026 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 52026 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 52026 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 52026 _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 '(DE3) Codon Plus' . . plasmid . . pHTP8 . . . 52026 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52026 _Sample.ID 1 _Sample.Name 'Interlinker domain (res. 176 to 246) of the Nucleocapsid Protein of SARS-CoV-2' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein in 50mM Potassium Phosphate pH=6.5, 250mm NaCl, 8%D2O, 20uM DSS' _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 'N3 domain of the Nucleocapsid Protein of SARS-CoV-2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 42 . . uM . . . . 52026 1 2 D2O 'natural abundance' . . . . . . 8 . . % . . . . 52026 1 3 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 52026 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52026 1 5 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 52026 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 52026 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR Conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 52026 1 pressure 1 . atm 52026 1 temperature 288 . K 52026 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52026 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52026 1 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 52026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'CERMAX - Avance 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 52026 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 2 '2D 1H-15N TROSY' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 3 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 4 '3D HN(CA)CO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 5 '3D HNCA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 6 '3D HN(CO)CA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 7 '3D HNCACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 8 '3D HN(CO)CACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 9 (H)N(CACO)NH yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52026 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' HSQC . 'Time-domain (raw spectral data)' . . 52026 1 2 '2D 1H-15N TROSY' BEST-TROSY . 'Time-domain (raw spectral data)' . . 52026 1 3 '3D HNCO' HNCO.ft3 . 'Time-domain (raw spectral data)' . . 52026 1 4 '3D HN(CA)CO' HNcaCO.ft3 . 'Time-domain (raw spectral data)' . . 52026 1 5 '3D HNCA' HNCA.ft3 . 'Time-domain (raw spectral data)' . . 52026 1 6 '3D HN(CO)CA' HNcoCA.ft3 . 'Time-domain (raw spectral data)' . . 52026 1 7 '3D HNCACB' HNCACB.ft3 . 'Time-domain (raw spectral data)' . . 52026 1 8 '3D HN(CO)CACB' HNcoCACB.ft3 . 'Time-domain (raw spectral data)' . . 52026 1 9 (H)N(CACO)NH HNcacoNH.ft3 . 'Time-domain (raw spectral data)' . . 52026 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52026 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site qMDD _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 52026 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 protons' . . . . ppm 0 na indirect . . . . . . 52026 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52026 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 52026 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 52026 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Interlinker domain (res. 176 to 246) of the Nucleocapsid Protein of SARS-CoV-2' _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 52026 1 2 '2D 1H-15N TROSY' . . . 52026 1 3 '3D HNCO' . . . 52026 1 4 '3D HN(CA)CO' . . . 52026 1 5 '3D HNCA' . . . 52026 1 6 '3D HN(CO)CA' . . . 52026 1 7 '3D HNCACB' . . . 52026 1 8 '3D HN(CO)CACB' . . . 52026 1 9 (H)N(CACO)NH . . . 52026 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 . . 52026 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 2 2 PRO CA C 13 62.967 0.3 . 1 . . . . . 175 PRO CA . 52026 1 2 . 1 . 1 2 2 PRO CB C 13 32.371 0.3 . 1 . . . . . 175 PRO CB . 52026 1 3 . 1 . 1 3 3 SER H H 1 8.495 0.020 . 1 . . . . . 176 SER H . 52026 1 4 . 1 . 1 3 3 SER C C 13 174.700 0.3 . 1 . . . . . 176 SER C . 52026 1 5 . 1 . 1 3 3 SER CA C 13 58.374 0.3 . 1 . . . . . 176 SER CA . 52026 1 6 . 1 . 1 3 3 SER CB C 13 63.951 0.3 . 1 . . . . . 176 SER CB . 52026 1 7 . 1 . 1 3 3 SER N N 15 116.953 0.3 . 1 . . . . . 176 SER N . 52026 1 8 . 1 . 1 4 4 ARG H H 1 8.455 0.020 . 1 . . . . . 177 ARG H . 52026 1 9 . 1 . 1 4 4 ARG C C 13 176.749 0.3 . 1 . . . . . 177 ARG C . 52026 1 10 . 1 . 1 4 4 ARG CA C 13 56.206 0.3 . 1 . . . . . 177 ARG CA . 52026 1 11 . 1 . 1 4 4 ARG CB C 13 30.687 0.3 . 1 . . . . . 177 ARG CB . 52026 1 12 . 1 . 1 4 4 ARG N N 15 123.440 0.3 . 1 . . . . . 177 ARG N . 52026 1 13 . 1 . 1 5 5 GLY H H 1 8.390 0.020 . 1 . . . . . 178 GLY H . 52026 1 14 . 1 . 1 5 5 GLY C C 13 174.585 0.3 . 1 . . . . . 178 GLY C . 52026 1 15 . 1 . 1 5 5 GLY CA C 13 45.286 0.3 . 1 . . . . . 178 GLY CA . 52026 1 16 . 1 . 1 5 5 GLY N N 15 110.065 0.3 . 1 . . . . . 178 GLY N . 52026 1 17 . 1 . 1 6 6 GLY H H 1 8.234 0.020 . 1 . . . . . 179 GLY H . 52026 1 18 . 1 . 1 6 6 GLY C C 13 174.447 0.3 . 1 . . . . . 179 GLY C . 52026 1 19 . 1 . 1 6 6 GLY CA C 13 45.114 0.3 . 1 . . . . . 179 GLY CA . 52026 1 20 . 1 . 1 6 6 GLY N N 15 108.900 0.3 . 1 . . . . . 179 GLY N . 52026 1 21 . 1 . 1 7 7 SER H H 1 8.270 0.020 . 1 . . . . . 180 SER H . 52026 1 22 . 1 . 1 7 7 SER C C 13 174.870 0.3 . 1 . . . . . 180 SER C . 52026 1 23 . 1 . 1 7 7 SER CA C 13 58.476 0.3 . 1 . . . . . 180 SER CA . 52026 1 24 . 1 . 1 7 7 SER CB C 13 63.829 0.3 . 1 . . . . . 180 SER CB . 52026 1 25 . 1 . 1 7 7 SER N N 15 115.885 0.3 . 1 . . . . . 180 SER N . 52026 1 26 . 1 . 1 8 8 GLN H H 1 8.449 0.020 . 1 . . . . . 181 GLN H . 52026 1 27 . 1 . 1 8 8 GLN C C 13 175.999 0.3 . 1 . . . . . 181 GLN C . 52026 1 28 . 1 . 1 8 8 GLN CA C 13 55.976 0.3 . 1 . . . . . 181 GLN CA . 52026 1 29 . 1 . 1 8 8 GLN CB C 13 29.155 0.3 . 1 . . . . . 181 GLN CB . 52026 1 30 . 1 . 1 8 8 GLN N N 15 122.267 0.3 . 1 . . . . . 181 GLN N . 52026 1 31 . 1 . 1 9 9 ALA H H 1 8.242 0.020 . 1 . . . . . 182 ALA H . 52026 1 32 . 1 . 1 9 9 ALA C C 13 178.013 0.3 . 1 . . . . . 182 ALA C . 52026 1 33 . 1 . 1 9 9 ALA CA C 13 52.772 0.3 . 1 . . . . . 182 ALA CA . 52026 1 34 . 1 . 1 9 9 ALA CB C 13 18.925 0.3 . 1 . . . . . 182 ALA CB . 52026 1 35 . 1 . 1 9 9 ALA N N 15 124.998 0.3 . 1 . . . . . 182 ALA N . 52026 1 36 . 1 . 1 10 10 SER H H 1 8.224 0.020 . 1 . . . . . 183 SER H . 52026 1 37 . 1 . 1 10 10 SER C C 13 174.827 0.3 . 1 . . . . . 183 SER C . 52026 1 38 . 1 . 1 10 10 SER CA C 13 58.425 0.3 . 1 . . . . . 183 SER CA . 52026 1 39 . 1 . 1 10 10 SER CB C 13 63.767 0.3 . 1 . . . . . 183 SER CB . 52026 1 40 . 1 . 1 10 10 SER N N 15 114.866 0.3 . 1 . . . . . 183 SER N . 52026 1 41 . 1 . 1 11 11 SER H H 1 8.233 0.020 . 1 . . . . . 184 SER H . 52026 1 42 . 1 . 1 11 11 SER C C 13 174.717 0.3 . 1 . . . . . 184 SER C . 52026 1 43 . 1 . 1 11 11 SER CA C 13 58.517 0.3 . 1 . . . . . 184 SER CA . 52026 1 44 . 1 . 1 11 11 SER CB C 13 63.773 0.3 . 1 . . . . . 184 SER CB . 52026 1 45 . 1 . 1 11 11 SER N N 15 117.789 0.3 . 1 . . . . . 184 SER N . 52026 1 46 . 1 . 1 12 12 ARG H H 1 8.253 0.020 . 1 . . . . . 185 ARG H . 52026 1 47 . 1 . 1 12 12 ARG C C 13 176.542 0.3 . 1 . . . . . 185 ARG C . 52026 1 48 . 1 . 1 12 12 ARG CA C 13 56.333 0.3 . 1 . . . . . 185 ARG CA . 52026 1 49 . 1 . 1 12 12 ARG CB C 13 30.626 0.3 . 1 . . . . . 185 ARG CB . 52026 1 50 . 1 . 1 12 12 ARG N N 15 122.863 0.3 . 1 . . . . . 185 ARG N . 52026 1 51 . 1 . 1 13 13 SER H H 1 8.264 0.020 . 1 . . . . . 186 SER H . 52026 1 52 . 1 . 1 13 13 SER C C 13 174.824 0.3 . 1 . . . . . 186 SER C . 52026 1 53 . 1 . 1 13 13 SER CA C 13 58.534 0.3 . 1 . . . . . 186 SER CA . 52026 1 54 . 1 . 1 13 13 SER CB C 13 63.767 0.3 . 1 . . . . . 186 SER CB . 52026 1 55 . 1 . 1 13 13 SER N N 15 116.729 0.3 . 1 . . . . . 186 SER N . 52026 1 56 . 1 . 1 14 14 SER H H 1 8.321 0.020 . 1 . . . . . 187 SER H . 52026 1 57 . 1 . 1 14 14 SER C C 13 174.630 0.3 . 1 . . . . . 187 SER C . 52026 1 58 . 1 . 1 14 14 SER CA C 13 58.621 0.3 . 1 . . . . . 187 SER CA . 52026 1 59 . 1 . 1 14 14 SER CB C 13 63.831 0.3 . 1 . . . . . 187 SER CB . 52026 1 60 . 1 . 1 14 14 SER N N 15 117.962 0.3 . 1 . . . . . 187 SER N . 52026 1 61 . 1 . 1 15 15 SER H H 1 8.274 0.020 . 1 . . . . . 188 SER H . 52026 1 62 . 1 . 1 15 15 SER C C 13 174.691 0.3 . 1 . . . . . 188 SER C . 52026 1 63 . 1 . 1 15 15 SER CA C 13 58.997 0.3 . 1 . . . . . 188 SER CA . 52026 1 64 . 1 . 1 15 15 SER CB C 13 63.585 0.3 . 1 . . . . . 188 SER CB . 52026 1 65 . 1 . 1 15 15 SER N N 15 117.839 0.3 . 1 . . . . . 188 SER N . 52026 1 66 . 1 . 1 16 16 ARG H H 1 8.265 0.020 . 1 . . . . . 189 ARG H . 52026 1 67 . 1 . 1 16 16 ARG C C 13 176.533 0.3 . 1 . . . . . 189 ARG C . 52026 1 68 . 1 . 1 16 16 ARG CA C 13 56.321 0.3 . 1 . . . . . 189 ARG CA . 52026 1 69 . 1 . 1 16 16 ARG CB C 13 30.565 0.3 . 1 . . . . . 189 ARG CB . 52026 1 70 . 1 . 1 16 16 ARG N N 15 122.782 0.3 . 1 . . . . . 189 ARG N . 52026 1 71 . 1 . 1 17 17 SER H H 1 8.219 0.020 . 1 . . . . . 190 SER H . 52026 1 72 . 1 . 1 17 17 SER C C 13 174.743 0.3 . 1 . . . . . 190 SER C . 52026 1 73 . 1 . 1 17 17 SER CA C 13 58.514 0.3 . 1 . . . . . 190 SER CA . 52026 1 74 . 1 . 1 17 17 SER CB C 13 63.706 0.3 . 1 . . . . . 190 SER CB . 52026 1 75 . 1 . 1 17 17 SER N N 15 116.717 0.3 . 1 . . . . . 190 SER N . 52026 1 76 . 1 . 1 18 18 ARG H H 1 8.325 0.020 . 1 . . . . . 191 ARG H . 52026 1 77 . 1 . 1 18 18 ARG C C 13 176.207 0.3 . 1 . . . . . 191 ARG C . 52026 1 78 . 1 . 1 18 18 ARG CA C 13 56.355 0.3 . 1 . . . . . 191 ARG CA . 52026 1 79 . 1 . 1 18 18 ARG CB C 13 30.626 0.3 . 1 . . . . . 191 ARG CB . 52026 1 80 . 1 . 1 18 18 ARG N N 15 122.991 0.3 . 1 . . . . . 191 ARG N . 52026 1 81 . 1 . 1 19 19 ASN H H 1 8.374 0.020 . 1 . . . . . 192 ASN H . 52026 1 82 . 1 . 1 19 19 ASN C C 13 175.329 0.3 . 1 . . . . . 192 ASN C . 52026 1 83 . 1 . 1 19 19 ASN CA C 13 53.375 0.3 . 1 . . . . . 192 ASN CA . 52026 1 84 . 1 . 1 19 19 ASN CB C 13 38.835 0.3 . 1 . . . . . 192 ASN CB . 52026 1 85 . 1 . 1 19 19 ASN N N 15 119.577 0.3 . 1 . . . . . 192 ASN N . 52026 1 86 . 1 . 1 20 20 SER H H 1 8.208 0.020 . 1 . . . . . 193 SER H . 52026 1 87 . 1 . 1 20 20 SER C C 13 174.665 0.3 . 1 . . . . . 193 SER C . 52026 1 88 . 1 . 1 20 20 SER CA C 13 58.559 0.3 . 1 . . . . . 193 SER CA . 52026 1 89 . 1 . 1 20 20 SER CB C 13 63.829 0.3 . 1 . . . . . 193 SER CB . 52026 1 90 . 1 . 1 20 20 SER N N 15 116.412 0.3 . 1 . . . . . 193 SER N . 52026 1 91 . 1 . 1 21 21 SER C C 13 174.668 0.3 . 1 . . . . . 194 SER C . 52026 1 92 . 1 . 1 21 21 SER CA C 13 58.605 0.3 . 1 . . . . . 194 SER CA . 52026 1 93 . 1 . 1 21 21 SER CB C 13 63.522 0.3 . 1 . . . . . 194 SER CB . 52026 1 94 . 1 . 1 22 22 ARG H H 1 8.237 0.020 . 1 . . . . . 195 ARG H . 52026 1 95 . 1 . 1 22 22 ARG C C 13 176.046 0.3 . 1 . . . . . 195 ARG C . 52026 1 96 . 1 . 1 22 22 ARG CA C 13 56.355 0.3 . 1 . . . . . 195 ARG CA . 52026 1 97 . 1 . 1 22 22 ARG CB C 13 30.565 0.3 . 1 . . . . . 195 ARG CB . 52026 1 98 . 1 . 1 22 22 ARG N N 15 122.519 0.3 . 1 . . . . . 195 ARG N . 52026 1 99 . 1 . 1 23 23 ASN H H 1 8.327 0.020 . 1 . . . . . 196 ASN H . 52026 1 100 . 1 . 1 23 23 ASN C C 13 175.044 0.3 . 1 . . . . . 196 ASN C . 52026 1 101 . 1 . 1 23 23 ASN CA C 13 53.017 0.3 . 1 . . . . . 196 ASN CA . 52026 1 102 . 1 . 1 23 23 ASN CB C 13 38.896 0.3 . 1 . . . . . 196 ASN CB . 52026 1 103 . 1 . 1 23 23 ASN N N 15 119.527 0.3 . 1 . . . . . 196 ASN N . 52026 1 104 . 1 . 1 24 24 SER H H 1 8.189 0.020 . 1 . . . . . 197 SER H . 52026 1 105 . 1 . 1 24 24 SER C C 13 174.199 0.3 . 1 . . . . . 197 SER C . 52026 1 106 . 1 . 1 24 24 SER CA C 13 58.263 0.3 . 1 . . . . . 197 SER CA . 52026 1 107 . 1 . 1 24 24 SER CB C 13 63.829 0.3 . 1 . . . . . 197 SER CB . 52026 1 108 . 1 . 1 24 24 SER N N 15 116.301 0.3 . 1 . . . . . 197 SER N . 52026 1 109 . 1 . 1 25 25 THR H H 1 8.175 0.020 . 1 . . . . . 198 THR H . 52026 1 110 . 1 . 1 25 25 THR C C 13 172.971 0.3 . 1 . . . . . 198 THR C . 52026 1 111 . 1 . 1 25 25 THR CA C 13 59.752 0.3 . 1 . . . . . 198 THR CA . 52026 1 112 . 1 . 1 25 25 THR CB C 13 69.710 0.3 . 1 . . . . . 198 THR CB . 52026 1 113 . 1 . 1 25 25 THR N N 15 117.929 0.3 . 1 . . . . . 198 THR N . 52026 1 114 . 1 . 1 26 26 PRO CB C 13 31.974 0.3 . 1 . . . . . 199 PRO CB . 52026 1 115 . 1 . 1 27 27 GLY H H 1 8.478 0.020 . 1 . . . . . 200 GLY H . 52026 1 116 . 1 . 1 27 27 GLY C C 13 174.346 0.3 . 1 . . . . . 200 GLY C . 52026 1 117 . 1 . 1 27 27 GLY CA C 13 45.363 0.3 . 1 . . . . . 200 GLY CA . 52026 1 118 . 1 . 1 27 27 GLY N N 15 109.701 0.3 . 1 . . . . . 200 GLY N . 52026 1 119 . 1 . 1 28 28 SER H H 1 8.084 0.020 . 1 . . . . . 201 SER H . 52026 1 120 . 1 . 1 28 28 SER C C 13 174.799 0.3 . 1 . . . . . 201 SER C . 52026 1 121 . 1 . 1 28 28 SER CA C 13 58.400 0.3 . 1 . . . . . 201 SER CA . 52026 1 122 . 1 . 1 28 28 SER CB C 13 63.890 0.3 . 1 . . . . . 201 SER CB . 52026 1 123 . 1 . 1 28 28 SER N N 15 115.384 0.3 . 1 . . . . . 201 SER N . 52026 1 124 . 1 . 1 29 29 SER H H 1 8.360 0.020 . 1 . . . . . 202 SER H . 52026 1 125 . 1 . 1 29 29 SER C C 13 174.592 0.3 . 1 . . . . . 202 SER C . 52026 1 126 . 1 . 1 29 29 SER N N 15 117.979 0.3 . 1 . . . . . 202 SER N . 52026 1 127 . 1 . 1 30 30 ARG H H 1 8.303 0.020 . 1 . . . . . 203 ARG H . 52026 1 128 . 1 . 1 30 30 ARG C C 13 176.763 0.3 . 1 . . . . . 203 ARG C . 52026 1 129 . 1 . 1 30 30 ARG CA C 13 56.339 0.3 . 1 . . . . . 203 ARG CA . 52026 1 130 . 1 . 1 30 30 ARG CB C 13 30.572 0.3 . 1 . . . . . 203 ARG CB . 52026 1 131 . 1 . 1 30 30 ARG N N 15 122.811 0.3 . 1 . . . . . 203 ARG N . 52026 1 132 . 1 . 1 31 31 GLY H H 1 8.333 0.020 . 1 . . . . . 204 GLY H . 52026 1 133 . 1 . 1 31 31 GLY C C 13 174.162 0.3 . 1 . . . . . 204 GLY C . 52026 1 134 . 1 . 1 31 31 GLY CA C 13 45.138 0.3 . 1 . . . . . 204 GLY CA . 52026 1 135 . 1 . 1 31 31 GLY N N 15 109.791 0.3 . 1 . . . . . 204 GLY N . 52026 1 136 . 1 . 1 32 32 THR H H 1 7.992 0.020 . 1 . . . . . 205 THR H . 52026 1 137 . 1 . 1 32 32 THR C C 13 174.450 0.3 . 1 . . . . . 205 THR C . 52026 1 138 . 1 . 1 32 32 THR CA C 13 61.513 0.3 . 1 . . . . . 205 THR CA . 52026 1 139 . 1 . 1 32 32 THR CB C 13 69.946 0.3 . 1 . . . . . 205 THR CB . 52026 1 140 . 1 . 1 32 32 THR N N 15 113.310 0.3 . 1 . . . . . 205 THR N . 52026 1 141 . 1 . 1 33 33 SER H H 1 8.303 0.020 . 1 . . . . . 206 SER H . 52026 1 142 . 1 . 1 33 33 SER C C 13 172.683 0.3 . 1 . . . . . 206 SER C . 52026 1 143 . 1 . 1 33 33 SER CA C 13 56.334 0.3 . 1 . . . . . 206 SER CA . 52026 1 144 . 1 . 1 33 33 SER CB C 13 63.338 0.3 . 1 . . . . . 206 SER CB . 52026 1 145 . 1 . 1 33 33 SER N N 15 119.631 0.3 . 1 . . . . . 206 SER N . 52026 1 146 . 1 . 1 35 35 ALA H H 1 8.228 0.020 . 1 . . . . . 208 ALA H . 52026 1 147 . 1 . 1 35 35 ALA C C 13 177.985 0.3 . 1 . . . . . 208 ALA C . 52026 1 148 . 1 . 1 35 35 ALA CA C 13 52.681 0.3 . 1 . . . . . 208 ALA CA . 52026 1 149 . 1 . 1 35 35 ALA CB C 13 19.109 0.3 . 1 . . . . . 208 ALA CB . 52026 1 150 . 1 . 1 35 35 ALA N N 15 123.765 0.3 . 1 . . . . . 208 ALA N . 52026 1 151 . 1 . 1 36 36 ARG H H 1 8.146 0.020 . 1 . . . . . 209 ARG H . 52026 1 152 . 1 . 1 36 36 ARG C C 13 176.306 0.3 . 1 . . . . . 209 ARG C . 52026 1 153 . 1 . 1 36 36 ARG CA C 13 56.001 0.3 . 1 . . . . . 209 ARG CA . 52026 1 154 . 1 . 1 36 36 ARG CB C 13 30.319 0.3 . 1 . . . . . 209 ARG CB . 52026 1 155 . 1 . 1 36 36 ARG N N 15 119.965 0.3 . 1 . . . . . 209 ARG N . 52026 1 156 . 1 . 1 37 37 MET H H 1 8.250 0.020 . 1 . . . . . 210 MET H . 52026 1 157 . 1 . 1 37 37 MET C C 13 175.853 0.3 . 1 . . . . . 210 MET C . 52026 1 158 . 1 . 1 37 37 MET CA C 13 55.421 0.3 . 1 . . . . . 210 MET CA . 52026 1 159 . 1 . 1 37 37 MET CB C 13 32.831 0.3 . 1 . . . . . 210 MET CB . 52026 1 160 . 1 . 1 37 37 MET N N 15 121.447 0.3 . 1 . . . . . 210 MET N . 52026 1 161 . 1 . 1 38 38 ALA H H 1 8.231 0.020 . 1 . . . . . 211 ALA H . 52026 1 162 . 1 . 1 38 38 ALA C C 13 178.233 0.3 . 1 . . . . . 211 ALA C . 52026 1 163 . 1 . 1 38 38 ALA CA C 13 52.614 0.3 . 1 . . . . . 211 ALA CA . 52026 1 164 . 1 . 1 38 38 ALA CB C 13 18.986 0.3 . 1 . . . . . 211 ALA CB . 52026 1 165 . 1 . 1 38 38 ALA N N 15 125.116 0.3 . 1 . . . . . 211 ALA N . 52026 1 166 . 1 . 1 39 39 GLY H H 1 8.307 0.020 . 1 . . . . . 212 GLY H . 52026 1 167 . 1 . 1 39 39 GLY C C 13 174.052 0.3 . 1 . . . . . 212 GLY C . 52026 1 168 . 1 . 1 39 39 GLY CA C 13 45.281 0.3 . 1 . . . . . 212 GLY CA . 52026 1 169 . 1 . 1 39 39 GLY N N 15 108.154 0.3 . 1 . . . . . 212 GLY N . 52026 1 170 . 1 . 1 40 40 ASN H H 1 8.298 0.020 . 1 . . . . . 213 ASN H . 52026 1 171 . 1 . 1 40 40 ASN C C 13 175.872 0.3 . 1 . . . . . 213 ASN C . 52026 1 172 . 1 . 1 40 40 ASN CA C 13 53.220 0.3 . 1 . . . . . 213 ASN CA . 52026 1 173 . 1 . 1 40 40 ASN CB C 13 39.018 0.3 . 1 . . . . . 213 ASN CB . 52026 1 174 . 1 . 1 40 40 ASN N N 15 118.608 0.3 . 1 . . . . . 213 ASN N . 52026 1 175 . 1 . 1 41 41 GLY H H 1 8.453 0.020 . 1 . . . . . 214 GLY H . 52026 1 176 . 1 . 1 41 41 GLY C C 13 174.824 0.3 . 1 . . . . . 214 GLY C . 52026 1 177 . 1 . 1 41 41 GLY CA C 13 45.496 0.3 . 1 . . . . . 214 GLY CA . 52026 1 178 . 1 . 1 41 41 GLY N N 15 109.405 0.3 . 1 . . . . . 214 GLY N . 52026 1 179 . 1 . 1 42 42 GLY H H 1 8.237 0.020 . 1 . . . . . 215 GLY H . 52026 1 180 . 1 . 1 42 42 GLY C C 13 174.199 0.3 . 1 . . . . . 215 GLY C . 52026 1 181 . 1 . 1 42 42 GLY CA C 13 45.266 0.3 . 1 . . . . . 215 GLY CA . 52026 1 182 . 1 . 1 42 42 GLY N N 15 108.935 0.3 . 1 . . . . . 215 GLY N . 52026 1 183 . 1 . 1 43 43 ASP H H 1 8.202 0.020 . 1 . . . . . 216 ASP H . 52026 1 184 . 1 . 1 43 43 ASP C C 13 177.050 0.3 . 1 . . . . . 216 ASP C . 52026 1 185 . 1 . 1 43 43 ASP CA C 13 54.894 0.3 . 1 . . . . . 216 ASP CA . 52026 1 186 . 1 . 1 43 43 ASP CB C 13 40.947 0.3 . 1 . . . . . 216 ASP CB . 52026 1 187 . 1 . 1 43 43 ASP N N 15 120.857 0.3 . 1 . . . . . 216 ASP N . 52026 1 188 . 1 . 1 44 44 ALA H H 1 8.305 0.020 . 1 . . . . . 217 ALA H . 52026 1 189 . 1 . 1 44 44 ALA C C 13 178.683 0.3 . 1 . . . . . 217 ALA C . 52026 1 190 . 1 . 1 44 44 ALA CA C 13 53.813 0.3 . 1 . . . . . 217 ALA CA . 52026 1 191 . 1 . 1 44 44 ALA CB C 13 18.648 0.3 . 1 . . . . . 217 ALA CB . 52026 1 192 . 1 . 1 44 44 ALA N N 15 125.218 0.3 . 1 . . . . . 217 ALA N . 52026 1 193 . 1 . 1 45 45 ALA H H 1 8.004 0.020 . 1 . . . . . 218 ALA H . 52026 1 194 . 1 . 1 45 45 ALA C C 13 179.391 0.3 . 1 . . . . . 218 ALA C . 52026 1 195 . 1 . 1 45 45 ALA CA C 13 53.614 0.3 . 1 . . . . . 218 ALA CA . 52026 1 196 . 1 . 1 45 45 ALA CB C 13 18.403 0.3 . 1 . . . . . 218 ALA CB . 52026 1 197 . 1 . 1 45 45 ALA N N 15 121.211 0.3 . 1 . . . . . 218 ALA N . 52026 1 198 . 1 . 1 46 46 LEU H H 1 7.818 0.020 . 1 . . . . . 219 LEU H . 52026 1 199 . 1 . 1 46 46 LEU C C 13 178.215 0.3 . 1 . . . . . 219 LEU C . 52026 1 200 . 1 . 1 46 46 LEU CA C 13 56.466 0.3 . 1 . . . . . 219 LEU CA . 52026 1 201 . 1 . 1 46 46 LEU CB C 13 41.682 0.3 . 1 . . . . . 219 LEU CB . 52026 1 202 . 1 . 1 46 46 LEU N N 15 119.940 0.3 . 1 . . . . . 219 LEU N . 52026 1 203 . 1 . 1 47 47 ALA H H 1 7.867 0.020 . 1 . . . . . 220 ALA H . 52026 1 204 . 1 . 1 47 47 ALA C C 13 179.237 0.3 . 1 . . . . . 220 ALA C . 52026 1 205 . 1 . 1 47 47 ALA CA C 13 54.001 0.3 . 1 . . . . . 220 ALA CA . 52026 1 206 . 1 . 1 47 47 ALA CB C 13 18.281 0.3 . 1 . . . . . 220 ALA CB . 52026 1 207 . 1 . 1 47 47 ALA N N 15 121.886 0.3 . 1 . . . . . 220 ALA N . 52026 1 208 . 1 . 1 48 48 LEU H H 1 7.656 0.020 . 1 . . . . . 221 LEU H . 52026 1 209 . 1 . 1 48 48 LEU C C 13 178.392 0.3 . 1 . . . . . 221 LEU C . 52026 1 210 . 1 . 1 48 48 LEU CA C 13 56.501 0.3 . 1 . . . . . 221 LEU CA . 52026 1 211 . 1 . 1 48 48 LEU CB C 13 41.743 0.3 . 1 . . . . . 221 LEU CB . 52026 1 212 . 1 . 1 48 48 LEU N N 15 118.499 0.3 . 1 . . . . . 221 LEU N . 52026 1 213 . 1 . 1 49 49 LEU H H 1 7.734 0.020 . 1 . . . . . 222 LEU H . 52026 1 214 . 1 . 1 49 49 LEU C C 13 178.483 0.3 . 1 . . . . . 222 LEU C . 52026 1 215 . 1 . 1 49 49 LEU CA C 13 56.339 0.3 . 1 . . . . . 222 LEU CA . 52026 1 216 . 1 . 1 49 49 LEU N N 15 120.940 0.3 . 1 . . . . . 222 LEU N . 52026 1 217 . 1 . 1 50 50 LEU H H 1 7.893 0.020 . 1 . . . . . 223 LEU H . 52026 1 218 . 1 . 1 50 50 LEU C C 13 178.224 0.3 . 1 . . . . . 223 LEU C . 52026 1 219 . 1 . 1 50 50 LEU CA C 13 56.186 0.3 . 1 . . . . . 223 LEU CA . 52026 1 220 . 1 . 1 50 50 LEU N N 15 120.249 0.3 . 1 . . . . . 223 LEU N . 52026 1 221 . 1 . 1 51 51 LEU H H 1 7.765 0.020 . 1 . . . . . 224 LEU H . 52026 1 222 . 1 . 1 51 51 LEU C C 13 177.969 0.3 . 1 . . . . . 224 LEU C . 52026 1 223 . 1 . 1 51 51 LEU CA C 13 56.476 0.3 . 1 . . . . . 224 LEU CA . 52026 1 224 . 1 . 1 51 51 LEU CB C 13 41.743 0.3 . 1 . . . . . 224 LEU CB . 52026 1 225 . 1 . 1 51 51 LEU N N 15 120.685 0.3 . 1 . . . . . 224 LEU N . 52026 1 226 . 1 . 1 52 52 ASP H H 1 8.031 0.020 . 1 . . . . . 225 ASP H . 52026 1 227 . 1 . 1 52 52 ASP C C 13 177.362 0.3 . 1 . . . . . 225 ASP C . 52026 1 228 . 1 . 1 52 52 ASP CA C 13 55.472 0.3 . 1 . . . . . 225 ASP CA . 52026 1 229 . 1 . 1 52 52 ASP CB C 13 40.886 0.3 . 1 . . . . . 225 ASP CB . 52026 1 230 . 1 . 1 52 52 ASP N N 15 119.759 0.3 . 1 . . . . . 225 ASP N . 52026 1 231 . 1 . 1 53 53 ARG H H 1 7.966 0.020 . 1 . . . . . 226 ARG H . 52026 1 232 . 1 . 1 53 53 ARG C C 13 177.491 0.3 . 1 . . . . . 226 ARG C . 52026 1 233 . 1 . 1 53 53 ARG CA C 13 57.360 0.3 . 1 . . . . . 226 ARG CA . 52026 1 234 . 1 . 1 53 53 ARG CB C 13 30.043 0.3 . 1 . . . . . 226 ARG CB . 52026 1 235 . 1 . 1 53 53 ARG N N 15 119.847 0.3 . 1 . . . . . 226 ARG N . 52026 1 236 . 1 . 1 54 54 LEU H H 1 8.038 0.020 . 1 . . . . . 227 LEU H . 52026 1 237 . 1 . 1 54 54 LEU C C 13 178.022 0.3 . 1 . . . . . 227 LEU C . 52026 1 238 . 1 . 1 54 54 LEU CA C 13 56.313 0.3 . 1 . . . . . 227 LEU CA . 52026 1 239 . 1 . 1 54 54 LEU CB C 13 41.621 0.3 . 1 . . . . . 227 LEU CB . 52026 1 240 . 1 . 1 54 54 LEU N N 15 120.791 0.3 . 1 . . . . . 227 LEU N . 52026 1 241 . 1 . 1 55 56 ASN H H 1 8.186 0.020 . 1 . . . . . 228 ASN H . 52026 1 242 . 1 . 1 55 55 ASN C C 13 176.019 0.3 . 1 . . . . . 228 ASN C . 52026 1 243 . 1 . 1 55 55 ASN CA C 13 53.986 0.3 . 1 . . . . . 228 ASN CA . 52026 1 244 . 1 . 1 55 55 ASN CB C 13 38.445 0.3 . 1 . . . . . 228 ASN CB . 52026 1 245 . 1 . 1 55 55 ASN N N 15 118.092 0.3 . 1 . . . . . 228 ASN N . 52026 1 246 . 1 . 1 56 56 GLN H H 1 8.098 0.020 . 1 . . . . . 229 GLN H . 52026 1 247 . 1 . 1 56 56 GLN C C 13 176.646 0.3 . 1 . . . . . 229 GLN C . 52026 1 248 . 1 . 1 56 56 GLN CA C 13 56.680 0.3 . 1 . . . . . 229 GLN CA . 52026 1 249 . 1 . 1 56 56 GLN CB C 13 28.879 0.3 . 1 . . . . . 229 GLN CB . 52026 1 250 . 1 . 1 56 56 GLN N N 15 119.792 0.3 . 1 . . . . . 229 GLN N . 52026 1 251 . 1 . 1 57 57 LEU H H 1 8.027 0.020 . 1 . . . . . 230 LEU H . 52026 1 252 . 1 . 1 57 57 LEU C C 13 177.969 0.3 . 1 . . . . . 230 LEU C . 52026 1 253 . 1 . 1 57 57 LEU CA C 13 55.991 0.3 . 1 . . . . . 230 LEU CA . 52026 1 254 . 1 . 1 57 57 LEU CB C 13 42.111 0.3 . 1 . . . . . 230 LEU CB . 52026 1 255 . 1 . 1 57 57 LEU N N 15 121.886 0.3 . 1 . . . . . 230 LEU N . 52026 1 256 . 1 . 1 58 58 GLU H H 1 8.242 0.020 . 1 . . . . . 231 GLU H . 52026 1 257 . 1 . 1 58 58 GLU C C 13 177.169 0.3 . 1 . . . . . 231 GLU C . 52026 1 258 . 1 . 1 58 58 GLU CA C 13 57.215 0.3 . 1 . . . . . 231 GLU CA . 52026 1 259 . 1 . 1 58 58 GLU CB C 13 30.043 0.3 . 1 . . . . . 231 GLU CB . 52026 1 260 . 1 . 1 58 58 GLU N N 15 120.579 0.3 . 1 . . . . . 231 GLU N . 52026 1 261 . 1 . 1 59 59 SER H H 1 8.126 0.020 . 1 . . . . . 232 SER H . 52026 1 262 . 1 . 1 59 59 SER C C 13 175.083 0.3 . 1 . . . . . 232 SER C . 52026 1 263 . 1 . 1 59 59 SER CA C 13 58.941 0.3 . 1 . . . . . 232 SER CA . 52026 1 264 . 1 . 1 59 59 SER CB C 13 63.368 0.3 . 1 . . . . . 232 SER CB . 52026 1 265 . 1 . 1 59 59 SER N N 15 116.062 0.3 . 1 . . . . . 232 SER N . 52026 1 266 . 1 . 1 60 60 LYS H H 1 8.136 0.020 . 1 . . . . . 233 LYS H . 52026 1 267 . 1 . 1 60 60 LYS C C 13 176.959 0.3 . 1 . . . . . 233 LYS C . 52026 1 268 . 1 . 1 60 60 LYS CA C 13 56.741 0.3 . 1 . . . . . 233 LYS CA . 52026 1 269 . 1 . 1 60 60 LYS CB C 13 32.402 0.3 . 1 . . . . . 233 LYS CB . 52026 1 270 . 1 . 1 60 60 LYS N N 15 122.564 0.3 . 1 . . . . . 233 LYS N . 52026 1 271 . 1 . 1 61 61 MET H H 1 8.157 0.020 . 1 . . . . . 234 MET H . 52026 1 272 . 1 . 1 61 61 MET C C 13 176.453 0.3 . 1 . . . . . 234 MET C . 52026 1 273 . 1 . 1 61 61 MET CA C 13 55.608 0.3 . 1 . . . . . 234 MET CA . 52026 1 274 . 1 . 1 61 61 MET CB C 13 32.432 0.3 . 1 . . . . . 234 MET CB . 52026 1 275 . 1 . 1 61 61 MET N N 15 119.899 0.3 . 1 . . . . . 234 MET N . 52026 1 276 . 1 . 1 62 62 SER H H 1 8.149 0.020 . 1 . . . . . 235 SER H . 52026 1 277 . 1 . 1 62 62 SER CA C 13 58.482 0.3 . 1 . . . . . 235 SER CA . 52026 1 278 . 1 . 1 62 62 SER CB C 13 63.674 0.3 . 1 . . . . . 235 SER CB . 52026 1 279 . 1 . 1 62 62 SER N N 15 116.399 0.3 . 1 . . . . . 235 SER N . 52026 1 280 . 1 . 1 63 63 GLY H H 1 8.330 0.020 . 1 . . . . . 236 GLY H . 52026 1 281 . 1 . 1 63 63 GLY CA C 13 45.395 0.3 . 1 . . . . . 236 GLY CA . 52026 1 282 . 1 . 1 63 63 GLY N N 15 110.835 0.3 . 1 . . . . . 236 GLY N . 52026 1 283 . 1 . 1 64 64 LYS H H 1 8.117 0.020 . 1 . . . . . 237 LYS H . 52026 1 284 . 1 . 1 64 64 LYS C C 13 177.250 0.3 . 1 . . . . . 237 LYS C . 52026 1 285 . 1 . 1 64 64 LYS CA C 13 56.339 0.3 . 1 . . . . . 237 LYS CA . 52026 1 286 . 1 . 1 64 64 LYS CB C 13 32.647 0.3 . 1 . . . . . 237 LYS CB . 52026 1 287 . 1 . 1 64 64 LYS N N 15 120.650 0.3 . 1 . . . . . 237 LYS N . 52026 1 288 . 1 . 1 65 65 GLY H H 1 8.413 0.020 . 1 . . . . . 238 GLY H . 52026 1 289 . 1 . 1 65 65 GLY C C 13 174.227 0.3 . 1 . . . . . 238 GLY C . 52026 1 290 . 1 . 1 65 65 GLY CA C 13 45.240 0.3 . 1 . . . . . 238 GLY CA . 52026 1 291 . 1 . 1 65 65 GLY N N 15 109.850 0.3 . 1 . . . . . 238 GLY N . 52026 1 292 . 1 . 1 66 66 GLN H H 1 8.164 0.020 . 1 . . . . . 239 GLN H . 52026 1 293 . 1 . 1 66 66 GLN C C 13 176.110 0.3 . 1 . . . . . 239 GLN C . 52026 1 294 . 1 . 1 66 66 GLN CA C 13 55.727 0.3 . 1 . . . . . 239 GLN CA . 52026 1 295 . 1 . 1 66 66 GLN CB C 13 29.155 0.3 . 1 . . . . . 239 GLN CB . 52026 1 296 . 1 . 1 66 66 GLN N N 15 119.857 0.3 . 1 . . . . . 239 GLN N . 52026 1 297 . 1 . 1 67 67 GLN H H 1 8.394 0.020 . 1 . . . . . 240 GLN H . 52026 1 298 . 1 . 1 67 67 GLN C C 13 176.009 0.3 . 1 . . . . . 240 GLN C . 52026 1 299 . 1 . 1 67 67 GLN CA C 13 56.110 0.3 . 1 . . . . . 240 GLN CA . 52026 1 300 . 1 . 1 67 67 GLN CB C 13 29.186 0.3 . 1 . . . . . 240 GLN CB . 52026 1 301 . 1 . 1 67 67 GLN N N 15 121.282 0.3 . 1 . . . . . 240 GLN N . 52026 1 302 . 1 . 1 68 68 GLN H H 1 8.368 0.020 . 1 . . . . . 241 GLN H . 52026 1 303 . 1 . 1 68 68 GLN C C 13 175.920 0.3 . 1 . . . . . 241 GLN C . 52026 1 304 . 1 . 1 68 68 GLN CA C 13 55.732 0.3 . 1 . . . . . 241 GLN CA . 52026 1 305 . 1 . 1 68 68 GLN CB C 13 29.278 0.3 . 1 . . . . . 241 GLN CB . 52026 1 306 . 1 . 1 68 68 GLN N N 15 121.483 0.3 . 1 . . . . . 241 GLN N . 52026 1 307 . 1 . 1 69 71 GLN H H 1 8.419 0.020 . 1 . . . . . 242 GLN H . 52026 1 308 . 1 . 1 69 69 GLN C C 13 176.432 0.3 . 1 . . . . . 242 GLN C . 52026 1 309 . 1 . 1 69 69 GLN CA C 13 56.058 0.3 . 1 . . . . . 242 GLN CA . 52026 1 310 . 1 . 1 69 69 GLN CB C 13 29.584 0.3 . 1 . . . . . 242 GLN CB . 52026 1 311 . 1 . 1 69 69 GLN N N 15 121.739 0.3 . 1 . . . . . 242 GLN N . 52026 1 312 . 1 . 1 70 70 GLY H H 1 8.416 0.020 . 1 . . . . . 243 GLY H . 52026 1 313 . 1 . 1 70 70 GLY C C 13 173.933 0.3 . 1 . . . . . 243 GLY C . 52026 1 314 . 1 . 1 70 70 GLY CA C 13 45.251 0.3 . 1 . . . . . 243 GLY CA . 52026 1 315 . 1 . 1 70 70 GLY N N 15 110.262 0.3 . 1 . . . . . 243 GLY N . 52026 1 316 . 1 . 1 71 71 GLN H H 1 8.162 0.020 . 1 . . . . . 244 GLN H . 52026 1 317 . 1 . 1 71 71 GLN C C 13 176.077 0.3 . 1 . . . . . 244 GLN C . 52026 1 318 . 1 . 1 71 71 GLN CA C 13 55.746 0.3 . 1 . . . . . 244 GLN CA . 52026 1 319 . 1 . 1 71 71 GLN CB C 13 29.462 0.3 . 1 . . . . . 244 GLN CB . 52026 1 320 . 1 . 1 71 71 GLN N N 15 119.734 0.3 . 1 . . . . . 244 GLN N . 52026 1 321 . 1 . 1 72 72 THR H H 1 8.184 0.020 . 1 . . . . . 245 THR H . 52026 1 322 . 1 . 1 72 72 THR C C 13 174.309 0.3 . 1 . . . . . 245 THR C . 52026 1 323 . 1 . 1 72 72 THR CA C 13 61.936 0.3 . 1 . . . . . 245 THR CA . 52026 1 324 . 1 . 1 72 72 THR CB C 13 69.679 0.3 . 1 . . . . . 245 THR CB . 52026 1 325 . 1 . 1 72 72 THR N N 15 116.103 0.3 . 1 . . . . . 245 THR N . 52026 1 326 . 1 . 1 73 73 VAL H H 1 8.006 0.020 . 1 . . . . . 246 VAL H . 52026 1 327 . 1 . 1 73 73 VAL C C 13 175.544 0.3 . 1 . . . . . 246 VAL C . 52026 1 328 . 1 . 1 73 73 VAL CA C 13 62.176 0.3 . 1 . . . . . 246 VAL CA . 52026 1 329 . 1 . 1 73 73 VAL CB C 13 32.525 0.3 . 1 . . . . . 246 VAL CB . 52026 1 330 . 1 . 1 73 73 VAL N N 15 122.443 0.3 . 1 . . . . . 246 VAL N . 52026 1 331 . 1 . 1 74 76 TRP H H 1 8.111 0.020 . 1 . . . . . 247 TRP H . 52026 1 332 . 1 . 1 74 74 TRP HE1 H 1 10.015 0.020 . 1 . . . . . 247 TRP HE1 . 52026 1 333 . 1 . 1 74 74 TRP C C 13 175.930 0.3 . 1 . . . . . 247 TRP C . 52026 1 334 . 1 . 1 74 74 TRP CA C 13 56.843 0.3 . 1 . . . . . 247 TRP CA . 52026 1 335 . 1 . 1 74 74 TRP CB C 13 29.523 0.3 . 1 . . . . . 247 TRP CB . 52026 1 336 . 1 . 1 74 74 TRP N N 15 124.812 0.3 . 1 . . . . . 247 TRP N . 52026 1 337 . 1 . 1 74 74 TRP NE1 N 15 129.330 0.3 . 1 . . . . . 247 TRP NE1 . 52026 1 338 . 1 . 1 75 75 SER H H 1 7.945 0.020 . 1 . . . . . 248 SER H . 52026 1 339 . 1 . 1 75 75 SER C C 13 173.348 0.3 . 1 . . . . . 248 SER C . 52026 1 340 . 1 . 1 75 75 SER CA C 13 57.915 0.3 . 1 . . . . . 248 SER CA . 52026 1 341 . 1 . 1 75 75 SER CB C 13 63.706 0.3 . 1 . . . . . 248 SER CB . 52026 1 342 . 1 . 1 75 75 SER N N 15 117.454 0.3 . 1 . . . . . 248 SER N . 52026 1 343 . 1 . 1 76 76 HIS H H 1 8.061 0.020 . 1 . . . . . 249 HIS H . 52026 1 344 . 1 . 1 76 76 HIS C C 13 172.924 0.3 . 1 . . . . . 249 HIS C . 52026 1 345 . 1 . 1 76 76 HIS CA C 13 53.966 0.3 . 1 . . . . . 249 HIS CA . 52026 1 346 . 1 . 1 76 76 HIS CB C 13 29.553 0.3 . 1 . . . . . 249 HIS CB . 52026 1 347 . 1 . 1 76 76 HIS N N 15 121.516 0.3 . 1 . . . . . 249 HIS N . 52026 1 348 . 1 . 1 77 77 PRO CA C 13 63.295 0.3 . 1 . . . . . 250 PRO CA . 52026 1 349 . 1 . 1 77 77 PRO CB C 13 29.278 0.3 . 1 . . . . . 250 PRO CB . 52026 1 350 . 1 . 1 78 78 GLN H H 1 8.544 0.020 . 1 . . . . . 251 GLN H . 52026 1 351 . 1 . 1 78 78 GLN C C 13 175.532 0.3 . 1 . . . . . 251 GLN C . 52026 1 352 . 1 . 1 78 78 GLN CA C 13 55.834 0.3 . 1 . . . . . 251 GLN CA . 52026 1 353 . 1 . 1 78 78 GLN CB C 13 29.278 0.3 . 1 . . . . . 251 GLN CB . 52026 1 354 . 1 . 1 78 78 GLN N N 15 120.620 0.3 . 1 . . . . . 251 GLN N . 52026 1 355 . 1 . 1 79 79 PHE H H 1 8.065 0.020 . 1 . . . . . 252 PHE H . 52026 1 356 . 1 . 1 79 79 PHE C C 13 175.421 0.3 . 1 . . . . . 252 PHE C . 52026 1 357 . 1 . 1 79 79 PHE CA C 13 57.212 0.3 . 1 . . . . . 252 PHE CA . 52026 1 358 . 1 . 1 79 79 PHE CB C 13 39.325 0.3 . 1 . . . . . 252 PHE CB . 52026 1 359 . 1 . 1 79 79 PHE N N 15 120.398 0.3 . 1 . . . . . 252 PHE N . 52026 1 360 . 1 . 1 80 80 GLU H H 1 8.220 0.020 . 1 . . . . . 253 GLU H . 52026 1 361 . 1 . 1 80 80 GLU C C 13 175.084 0.3 . 1 . . . . . 253 GLU C . 52026 1 362 . 1 . 1 80 80 GLU CA C 13 56.333 0.3 . 1 . . . . . 253 GLU CA . 52026 1 363 . 1 . 1 80 80 GLU CB C 13 30.381 0.3 . 1 . . . . . 253 GLU CB . 52026 1 364 . 1 . 1 80 80 GLU N N 15 122.709 0.3 . 1 . . . . . 253 GLU N . 52026 1 365 . 1 . 1 81 81 LYS H H 1 7.824 0.020 . 1 . . . . . 254 LYS H . 52026 1 366 . 1 . 1 81 81 LYS C C 13 181.108 0.3 . 1 . . . . . 254 LYS C . 52026 1 367 . 1 . 1 81 81 LYS CA C 13 57.634 0.3 . 1 . . . . . 254 LYS CA . 52026 1 368 . 1 . 1 81 81 LYS CB C 13 33.566 0.3 . 1 . . . . . 254 LYS CB . 52026 1 369 . 1 . 1 81 81 LYS N N 15 127.326 0.3 . 1 . . . . . 254 LYS N . 52026 1 stop_ save_