data_51904 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51904 _Entry.Title ; Modifications to the SR-Rich Region of the SARS-CoV-2 Nucleocapsid Regulate Self-Association and Attenuate RNA Interactions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-13 _Entry.Accession_date 2023-04-13 _Entry.Last_release_date 2023-04-13 _Entry.Original_release_date 2023-04-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Patrick Reardon . P.N.R. . 0000-0002-6858-0086 51904 2 Hannah Stuwe . H.S. . . 51904 3 Zhen Yu . Z.Y. . . 51904 4 Sahana Shah . . . . 51904 5 Kaitlyn Hughes . K.H. . . 51904 6 Elisar Barbar . E.J.B. . . 51904 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51904 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 51904 '15N chemical shifts' 70 51904 '1H chemical shifts' 70 51904 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 . . 2024-09-28 . original BMRB . 51904 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51904 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38718862 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation in the Ser/Arg-rich region of the nucleocapsid of SARS-CoV-2 regulates phase separation by inhibiting self-association of a distant helix ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 300 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 107354 _Citation.Page_last 107354 _Citation.Year 2024 _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 Hannah Stuwe H. . . . 51904 1 2 Patrick Reardon P. N. . . 51904 1 3 Zhen Yu Z. . . . 51904 1 4 Sahana Shah S. . . . 51904 1 5 Kaitlyn Hughes K. . . . 51904 1 6 Elisar Barbar E. J. . . 51904 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51904 _Assembly.ID 1 _Assembly.Name N145-245 _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 N145-245 1 $entity_1 . . yes native no no . . . 51904 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51904 _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 ; SGSRGGSQASSRSSSRSRNS SRNSTPGSSRGTSPARMAGN GGDAALALLLLDRLNQLESK MSGKGQQQQGQTGTENLYFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'SR-rich linker region from SARS-CoV-2 nucleocapsid' 51904 1 stop_ 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 SER . 51904 1 2 175 GLY . 51904 1 3 176 SER . 51904 1 4 177 ARG . 51904 1 5 178 GLY . 51904 1 6 179 GLY . 51904 1 7 180 SER . 51904 1 8 181 GLN . 51904 1 9 182 ALA . 51904 1 10 183 SER . 51904 1 11 184 SER . 51904 1 12 185 ARG . 51904 1 13 186 SER . 51904 1 14 187 SER . 51904 1 15 188 SER . 51904 1 16 189 ARG . 51904 1 17 190 SER . 51904 1 18 191 ARG . 51904 1 19 192 ASN . 51904 1 20 193 SER . 51904 1 21 194 SER . 51904 1 22 195 ARG . 51904 1 23 196 ASN . 51904 1 24 197 SER . 51904 1 25 198 THR . 51904 1 26 199 PRO . 51904 1 27 200 GLY . 51904 1 28 201 SER . 51904 1 29 202 SER . 51904 1 30 203 ARG . 51904 1 31 204 GLY . 51904 1 32 205 THR . 51904 1 33 206 SER . 51904 1 34 207 PRO . 51904 1 35 208 ALA . 51904 1 36 209 ARG . 51904 1 37 210 MET . 51904 1 38 211 ALA . 51904 1 39 212 GLY . 51904 1 40 213 ASN . 51904 1 41 214 GLY . 51904 1 42 215 GLY . 51904 1 43 216 ASP . 51904 1 44 217 ALA . 51904 1 45 218 ALA . 51904 1 46 219 LEU . 51904 1 47 220 ALA . 51904 1 48 221 LEU . 51904 1 49 222 LEU . 51904 1 50 223 LEU . 51904 1 51 224 LEU . 51904 1 52 225 ASP . 51904 1 53 226 ARG . 51904 1 54 227 LEU . 51904 1 55 228 ASN . 51904 1 56 229 GLN . 51904 1 57 230 LEU . 51904 1 58 231 GLU . 51904 1 59 232 SER . 51904 1 60 233 LYS . 51904 1 61 234 MET . 51904 1 62 235 SER . 51904 1 63 236 GLY . 51904 1 64 237 LYS . 51904 1 65 238 GLY . 51904 1 66 239 GLN . 51904 1 67 240 GLN . 51904 1 68 241 GLN . 51904 1 69 242 GLN . 51904 1 70 243 GLY . 51904 1 71 244 GLN . 51904 1 72 245 THR . 51904 1 73 246 GLY . 51904 1 74 247 THR . 51904 1 75 248 GLU . 51904 1 76 249 ASN . 51904 1 77 250 LEU . 51904 1 78 251 TYR . 51904 1 79 252 PHE . 51904 1 80 253 GLN . 51904 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 51904 1 . GLY 2 2 51904 1 . SER 3 3 51904 1 . ARG 4 4 51904 1 . GLY 5 5 51904 1 . GLY 6 6 51904 1 . SER 7 7 51904 1 . GLN 8 8 51904 1 . ALA 9 9 51904 1 . SER 10 10 51904 1 . SER 11 11 51904 1 . ARG 12 12 51904 1 . SER 13 13 51904 1 . SER 14 14 51904 1 . SER 15 15 51904 1 . ARG 16 16 51904 1 . SER 17 17 51904 1 . ARG 18 18 51904 1 . ASN 19 19 51904 1 . SER 20 20 51904 1 . SER 21 21 51904 1 . ARG 22 22 51904 1 . ASN 23 23 51904 1 . SER 24 24 51904 1 . THR 25 25 51904 1 . PRO 26 26 51904 1 . GLY 27 27 51904 1 . SER 28 28 51904 1 . SER 29 29 51904 1 . ARG 30 30 51904 1 . GLY 31 31 51904 1 . THR 32 32 51904 1 . SER 33 33 51904 1 . PRO 34 34 51904 1 . ALA 35 35 51904 1 . ARG 36 36 51904 1 . MET 37 37 51904 1 . ALA 38 38 51904 1 . GLY 39 39 51904 1 . ASN 40 40 51904 1 . GLY 41 41 51904 1 . GLY 42 42 51904 1 . ASP 43 43 51904 1 . ALA 44 44 51904 1 . ALA 45 45 51904 1 . LEU 46 46 51904 1 . ALA 47 47 51904 1 . LEU 48 48 51904 1 . LEU 49 49 51904 1 . LEU 50 50 51904 1 . LEU 51 51 51904 1 . ASP 52 52 51904 1 . ARG 53 53 51904 1 . LEU 54 54 51904 1 . ASN 55 55 51904 1 . GLN 56 56 51904 1 . LEU 57 57 51904 1 . GLU 58 58 51904 1 . SER 59 59 51904 1 . LYS 60 60 51904 1 . MET 61 61 51904 1 . SER 62 62 51904 1 . GLY 63 63 51904 1 . LYS 64 64 51904 1 . GLY 65 65 51904 1 . GLN 66 66 51904 1 . GLN 67 67 51904 1 . GLN 68 68 51904 1 . GLN 69 69 51904 1 . GLY 70 70 51904 1 . GLN 71 71 51904 1 . THR 72 72 51904 1 . GLY 73 73 51904 1 . THR 74 74 51904 1 . GLU 75 75 51904 1 . ASN 76 76 51904 1 . LEU 77 77 51904 1 . TYR 78 78 51904 1 . PHE 79 79 51904 1 . GLN 80 80 51904 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 51904 _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 . . . . . . . . . . . . 51904 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 51904 _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 BL21(DE3 . . plasmid . . 'pRBC SUMO' . . . 51904 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51904 _Sample.ID 1 _Sample.Name N145-245 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N145-245 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . .15 . . mM . . . . 51904 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51904 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51904 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 51904 _Sample_condition_list.ID 1 _Sample_condition_list.Name N145-245 _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 51904 1 pressure 1 . atm 51904 1 temperature 283 . K 51904 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51904 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51904 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51904 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51904 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51904 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51904 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 51904 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'OSU 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 51904 _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 yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51904 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51904 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51904 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51904 1 5 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51904 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 51904 _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 0.00 na indirect 0.251449530 . . . . . 51904 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51904 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51904 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 51904 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'N145-245 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 2 '3D HNCO' . . . 51904 1 3 '3D HNCACB' . . . 51904 1 4 '3D HN(CA)CO' . . . 51904 1 5 '3D CBCA(CO)NH' . . . 51904 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 3 $software_3 . . 51904 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 GLY C C 13 178.5277 0.0000 . 1 . . 84676 . . 175 GLY C . 51904 1 2 . 1 . 1 2 2 GLY CA C 13 45.2120 0.0000 . 1 . . 83377 . . 175 GLY CA . 51904 1 3 . 1 . 1 3 3 SER H H 1 8.5260 0.0000 . 1 . . 83855 . . 176 SER H . 51904 1 4 . 1 . 1 3 3 SER CA C 13 58.3996 0.0000 . 1 . . 83641 . . 176 SER CA . 51904 1 5 . 1 . 1 3 3 SER CB C 13 63.8583 0.0000 . 1 . . 83644 . . 176 SER CB . 51904 1 6 . 1 . 1 3 3 SER N N 15 116.3280 0.0000 . 1 . . 83853 . . 176 SER N . 51904 1 7 . 1 . 1 4 4 ARG H H 1 8.6296 0.0000 . 1 . . 83270 . . 177 ARG H . 51904 1 8 . 1 . 1 4 4 ARG C C 13 175.6888 0.0000 . 1 . . 83236 . . 177 ARG C . 51904 1 9 . 1 . 1 4 4 ARG CA C 13 56.3402 0.0000 . 1 . . 83323 . . 177 ARG CA . 51904 1 10 . 1 . 1 4 4 ARG CB C 13 30.4686 0.0000 . 1 . . 84289 . . 177 ARG CB . 51904 1 11 . 1 . 1 4 4 ARG N N 15 123.3999 0.0000 . 1 . . 83268 . . 177 ARG N . 51904 1 12 . 1 . 1 5 5 GLY H H 1 8.5236 0.0000 . 1 . . 83324 . . 178 GLY H . 51904 1 13 . 1 . 1 5 5 GLY C C 13 178.0100 0.0000 . 1 . . 82972 . . 178 GLY C . 51904 1 14 . 1 . 1 5 5 GLY CA C 13 45.4362 0.0000 . 1 . . 83296 . . 178 GLY CA . 51904 1 15 . 1 . 1 5 5 GLY N N 15 110.2660 0.0000 . 1 . . 83322 . . 178 GLY N . 51904 1 16 . 1 . 1 6 6 GLY H H 1 8.3643 0.0000 . 1 . . 83708 . . 179 GLY H . 51904 1 17 . 1 . 1 6 6 GLY C C 13 178.1840 0.0000 . 1 . . 82942 . . 179 GLY C . 51904 1 18 . 1 . 1 6 6 GLY CA C 13 45.1682 0.0000 . 1 . . 83368 . . 179 GLY CA . 51904 1 19 . 1 . 1 6 6 GLY N N 15 109.0844 0.0000 . 1 . . 83706 . . 179 GLY N . 51904 1 20 . 1 . 1 7 7 SER H H 1 8.4241 0.0000 . 1 . . 83834 . . 180 SER H . 51904 1 21 . 1 . 1 7 7 SER CA C 13 58.5948 0.0000 . 1 . . 84232 . . 180 SER CA . 51904 1 22 . 1 . 1 7 7 SER CB C 13 63.8805 0.0000 . 1 . . 84238 . . 180 SER CB . 51904 1 23 . 1 . 1 7 7 SER N N 15 116.0249 0.0000 . 1 . . 83832 . . 180 SER N . 51904 1 24 . 1 . 1 8 8 GLN H H 1 8.5907 0.0000 . 1 . . 83606 . . 181 GLN H . 51904 1 25 . 1 . 1 8 8 GLN C C 13 176.6473 0.0000 . 1 . . 83209 . . 181 GLN C . 51904 1 26 . 1 . 1 8 8 GLN CA C 13 55.8753 0.0000 . 1 . . 83653 . . 181 GLN CA . 51904 1 27 . 1 . 1 8 8 GLN CB C 13 29.1985 0.0000 . 1 . . 83656 . . 181 GLN CB . 51904 1 28 . 1 . 1 8 8 GLN N N 15 122.4103 0.0000 . 1 . . 83604 . . 181 GLN N . 51904 1 29 . 1 . 1 9 9 ALA H H 1 8.3886 0.0000 . 1 . . 84314 . . 182 ALA H . 51904 1 30 . 1 . 1 9 9 ALA C C 13 174.5766 0.0000 . 1 . . 83245 . . 182 ALA C . 51904 1 31 . 1 . 1 9 9 ALA CA C 13 52.8849 0.0000 . 1 . . 83353 . . 182 ALA CA . 51904 1 32 . 1 . 1 9 9 ALA CB C 13 19.0574 0.0000 . 1 . . 83356 . . 182 ALA CB . 51904 1 33 . 1 . 1 9 9 ALA N N 15 125.2457 0.0000 . 1 . . 84312 . . 182 ALA N . 51904 1 34 . 1 . 1 10 10 SER H H 1 8.3864 0.0000 . 1 . . 83357 . . 183 SER H . 51904 1 35 . 1 . 1 10 10 SER CA C 13 58.4990 0.0000 . 1 . . 91502 . . 183 SER CA . 51904 1 36 . 1 . 1 10 10 SER CB C 13 63.7786 0.0000 . 1 . . 91504 . . 183 SER CB . 51904 1 37 . 1 . 1 10 10 SER N N 15 115.1231 0.0000 . 1 . . 83355 . . 183 SER N . 51904 1 38 . 1 . 1 11 11 SER H H 1 8.4072 0.0000 . 1 . . 83414 . . 184 SER H . 51904 1 39 . 1 . 1 11 11 SER CA C 13 58.6826 0.0000 . 1 . . 91506 . . 184 SER CA . 51904 1 40 . 1 . 1 11 11 SER CB C 13 63.7575 0.0000 . 1 . . 91508 . . 184 SER CB . 51904 1 41 . 1 . 1 11 11 SER N N 15 118.1594 0.0000 . 1 . . 83412 . . 184 SER N . 51904 1 42 . 1 . 1 17 17 SER C C 13 177.8087 0.0000 . 1 . . 84691 . . 190 SER C . 51904 1 43 . 1 . 1 17 17 SER CA C 13 58.5550 0.0000 . 1 . . 95543 . . 190 SER CA . 51904 1 44 . 1 . 1 17 17 SER CB C 13 63.7510 0.0000 . 1 . . 95541 . . 190 SER CB . 51904 1 45 . 1 . 1 18 18 ARG H H 1 8.4837 0.0000 . 1 . . 84692 . . 191 ARG H . 51904 1 46 . 1 . 1 18 18 ARG C C 13 176.3677 0.0000 . 1 . . 91430 . . 191 ARG C . 51904 1 47 . 1 . 1 18 18 ARG CA C 13 56.6096 0.0000 . 1 . . 91432 . . 191 ARG CA . 51904 1 48 . 1 . 1 18 18 ARG CB C 13 30.4117 0.0000 . 1 . . 84391 . . 191 ARG CB . 51904 1 49 . 1 . 1 18 18 ARG N N 15 123.2466 0.0000 . 1 . . 84690 . . 191 ARG N . 51904 1 50 . 1 . 1 19 19 ASN H H 1 8.5187 0.0000 . 1 . . 83276 . . 192 ASN H . 51904 1 51 . 1 . 1 19 19 ASN C C 13 177.2464 0.0000 . 1 . . 91272 . . 192 ASN C . 51904 1 52 . 1 . 1 19 19 ASN CA C 13 53.3580 0.0000 . 1 . . 83383 . . 192 ASN CA . 51904 1 53 . 1 . 1 19 19 ASN N N 15 119.6947 0.0000 . 1 . . 83274 . . 192 ASN N . 51904 1 54 . 1 . 1 20 20 SER H H 1 8.3568 0.0000 . 1 . . 84407 . . 193 SER H . 51904 1 55 . 1 . 1 20 20 SER CA C 13 58.5630 0.0000 . 1 . . 91466 . . 193 SER CA . 51904 1 56 . 1 . 1 20 20 SER CB C 13 63.7732 0.0000 . 1 . . 91464 . . 193 SER CB . 51904 1 57 . 1 . 1 20 20 SER N N 15 116.6323 0.0000 . 1 . . 84405 . . 193 SER N . 51904 1 58 . 1 . 1 21 21 SER H H 1 8.4736 0.0000 . 1 . . 83408 . . 194 SER H . 51904 1 59 . 1 . 1 21 21 SER C C 13 177.9581 0.0000 . 1 . . 83035 . . 194 SER C . 51904 1 60 . 1 . 1 21 21 SER CA C 13 58.7800 0.0000 . 1 . . 83926 . . 194 SER CA . 51904 1 61 . 1 . 1 21 21 SER CB C 13 63.7670 0.0000 . 1 . . 83932 . . 194 SER CB . 51904 1 62 . 1 . 1 21 21 SER N N 15 118.2136 0.0000 . 1 . . 83406 . . 194 SER N . 51904 1 63 . 1 . 1 22 22 ARG H H 1 8.3719 0.0000 . 1 . . 84755 . . 195 ARG H . 51904 1 64 . 1 . 1 22 22 ARG C C 13 176.5403 0.0000 . 1 . . 91989 . . 195 ARG C . 51904 1 65 . 1 . 1 22 22 ARG CA C 13 56.5188 0.0000 . 1 . . 91993 . . 195 ARG CA . 51904 1 66 . 1 . 1 22 22 ARG CB C 13 30.5286 0.0000 . 1 . . 91997 . . 195 ARG CB . 51904 1 67 . 1 . 1 22 22 ARG N N 15 122.7138 0.0000 . 1 . . 84753 . . 195 ARG N . 51904 1 68 . 1 . 1 23 23 ASN H H 1 8.4654 0.0000 . 1 . . 83987 . . 196 ASN H . 51904 1 69 . 1 . 1 23 23 ASN C C 13 177.5613 0.0000 . 1 . . 91518 . . 196 ASN C . 51904 1 70 . 1 . 1 23 23 ASN CA C 13 53.2143 0.0000 . 1 . . 91520 . . 196 ASN CA . 51904 1 71 . 1 . 1 23 23 ASN CB C 13 38.7400 0.0000 . 1 . . 91516 . . 196 ASN CB . 51904 1 72 . 1 . 1 23 23 ASN N N 15 119.6721 0.0000 . 1 . . 83985 . . 196 ASN N . 51904 1 73 . 1 . 1 24 24 SER H H 1 8.3379 0.0000 . 1 . . 83693 . . 197 SER H . 51904 1 74 . 1 . 1 24 24 SER CA C 13 58.3343 0.0000 . 1 . . 83431 . . 197 SER CA . 51904 1 75 . 1 . 1 24 24 SER CB C 13 63.8676 0.0000 . 1 . . 83428 . . 197 SER CB . 51904 1 76 . 1 . 1 24 24 SER N N 15 116.5433 0.0000 . 1 . . 83691 . . 197 SER N . 51904 1 77 . 1 . 1 25 25 THR H H 1 8.3328 0.0000 . 1 . . 84779 . . 198 THR H . 51904 1 78 . 1 . 1 25 25 THR C C 13 179.7345 0.0000 . 1 . . 83032 . . 198 THR C . 51904 1 79 . 1 . 1 25 25 THR CA C 13 59.9128 0.0000 . 1 . . 83917 . . 198 THR CA . 51904 1 80 . 1 . 1 25 25 THR CB C 13 69.6874 0.0000 . 1 . . 83923 . . 198 THR CB . 51904 1 81 . 1 . 1 25 25 THR N N 15 118.2756 0.0000 . 1 . . 84777 . . 198 THR N . 51904 1 82 . 1 . 1 26 26 PRO C C 13 175.0468 0.0000 . 1 . . 84646 . . 199 PRO C . 51904 1 83 . 1 . 1 26 26 PRO CA C 13 63.7919 0.0000 . 1 . . 83317 . . 199 PRO CA . 51904 1 84 . 1 . 1 26 26 PRO CB C 13 31.9707 0.0000 . 1 . . 83317 . . 199 PRO CB . 51904 1 85 . 1 . 1 27 27 GLY H H 1 8.6532 0.0000 . 1 . . 84647 . . 200 GLY H . 51904 1 86 . 1 . 1 27 27 GLY C C 13 178.3156 0.0000 . 1 . . 91316 . . 200 GLY C . 51904 1 87 . 1 . 1 27 27 GLY CA C 13 45.3039 0.0000 . 1 . . 91318 . . 200 GLY CA . 51904 1 88 . 1 . 1 27 27 GLY N N 15 110.0544 0.0000 . 1 . . 84645 . . 200 GLY N . 51904 1 89 . 1 . 1 28 28 SER H H 1 8.2154 0.0000 . 1 . . 83366 . . 201 SER H . 51904 1 90 . 1 . 1 28 28 SER CA C 13 58.3674 0.0000 . 1 . . 91522 . . 201 SER CA . 51904 1 91 . 1 . 1 28 28 SER CB C 13 64.0014 0.0000 . 1 . . 83809 . . 201 SER CB . 51904 1 92 . 1 . 1 28 28 SER N N 15 115.5383 0.0000 . 1 . . 83364 . . 201 SER N . 51904 1 93 . 1 . 1 29 29 SER H H 1 8.5227 0.0000 . 1 . . 84674 . . 202 SER H . 51904 1 94 . 1 . 1 29 29 SER CA C 13 58.4991 0.0000 . 1 . . 91734 . . 202 SER CA . 51904 1 95 . 1 . 1 29 29 SER CB C 13 63.7050 0.0000 . 1 . . 91732 . . 202 SER CB . 51904 1 96 . 1 . 1 29 29 SER N N 15 118.2434 0.0000 . 1 . . 84672 . . 202 SER N . 51904 1 97 . 1 . 1 30 30 ARG H H 1 8.4661 0.0000 . 1 . . 84713 . . 203 ARG H . 51904 1 98 . 1 . 1 30 30 ARG C C 13 175.8095 0.0000 . 1 . . 91737 . . 203 ARG C . 51904 1 99 . 1 . 1 30 30 ARG CA C 13 56.3761 0.0000 . 1 . . 83305 . . 203 ARG CA . 51904 1 100 . 1 . 1 30 30 ARG CB C 13 30.5688 0.0000 . 1 . . 91742 . . 203 ARG CB . 51904 1 101 . 1 . 1 30 30 ARG N N 15 123.1301 0.0000 . 1 . . 84711 . . 203 ARG N . 51904 1 102 . 1 . 1 31 31 GLY H H 1 8.4751 0.0000 . 1 . . 84707 . . 204 GLY H . 51904 1 103 . 1 . 1 31 31 GLY C C 13 178.4849 0.0000 . 1 . . 91330 . . 204 GLY C . 51904 1 104 . 1 . 1 31 31 GLY CA C 13 45.2536 0.0000 . 1 . . 83350 . . 204 GLY CA . 51904 1 105 . 1 . 1 31 31 GLY N N 15 109.9868 0.0000 . 1 . . 84705 . . 204 GLY N . 51904 1 106 . 1 . 1 32 32 THR H H 1 8.1496 0.0000 . 1 . . 84821 . . 205 THR H . 51904 1 107 . 1 . 1 32 32 THR C C 13 178.1636 0.0000 . 1 . . 82996 . . 205 THR C . 51904 1 108 . 1 . 1 32 32 THR CA C 13 61.6439 0.0000 . 1 . . 83791 . . 205 THR CA . 51904 1 109 . 1 . 1 32 32 THR CB C 13 69.9768 0.0000 . 1 . . 83494 . . 205 THR CB . 51904 1 110 . 1 . 1 32 32 THR N N 15 113.5103 0.0000 . 1 . . 84819 . . 205 THR N . 51904 1 111 . 1 . 1 33 33 SER H H 1 8.4707 0.0000 . 1 . . 83492 . . 206 SER H . 51904 1 112 . 1 . 1 33 33 SER C C 13 180.0857 0.0000 . 1 . . 83107 . . 206 SER C . 51904 1 113 . 1 . 1 33 33 SER CA C 13 56.6435 0.0000 . 1 . . 84049 . . 206 SER CA . 51904 1 114 . 1 . 1 33 33 SER CB C 13 63.2890 0.0000 . 1 . . 84055 . . 206 SER CB . 51904 1 115 . 1 . 1 33 33 SER N N 15 119.9912 0.0000 . 1 . . 83490 . . 206 SER N . 51904 1 116 . 1 . 1 34 34 PRO C C 13 175.9218 0.0000 . 1 . . 84745 . . 207 PRO C . 51904 1 117 . 1 . 1 34 34 PRO CA C 13 63.3949 0.0000 . 1 . . 83650 . . 207 PRO CA . 51904 1 118 . 1 . 1 34 34 PRO CB C 13 32.0398 0.0000 . 1 . . 83647 . . 207 PRO CB . 51904 1 119 . 1 . 1 35 35 ALA H H 1 8.3995 0.0000 . 1 . . 84746 . . 208 ALA H . 51904 1 120 . 1 . 1 35 35 ALA C C 13 174.7725 0.0000 . 1 . . 83239 . . 208 ALA C . 51904 1 121 . 1 . 1 35 35 ALA CA C 13 52.7433 0.0000 . 1 . . 84298 . . 208 ALA CA . 51904 1 122 . 1 . 1 35 35 ALA CB C 13 19.0096 0.0000 . 1 . . 83518 . . 208 ALA CB . 51904 1 123 . 1 . 1 35 35 ALA N N 15 124.0946 0.0000 . 1 . . 84744 . . 208 ALA N . 51904 1 124 . 1 . 1 36 36 ARG H H 1 8.3221 0.0000 . 1 . . 84785 . . 209 ARG H . 51904 1 125 . 1 . 1 36 36 ARG C C 13 176.2578 0.0000 . 1 . . 83125 . . 209 ARG C . 51904 1 126 . 1 . 1 36 36 ARG CA C 13 56.0874 0.0000 . 1 . . 84094 . . 209 ARG CA . 51904 1 127 . 1 . 1 36 36 ARG CB C 13 30.6732 0.0000 . 1 . . 83584 . . 209 ARG CB . 51904 1 128 . 1 . 1 36 36 ARG N N 15 120.2738 0.0000 . 1 . . 84783 . . 209 ARG N . 51904 1 129 . 1 . 1 37 37 MET H H 1 8.4266 0.0000 . 1 . . 84725 . . 210 MET H . 51904 1 130 . 1 . 1 37 37 MET C C 13 176.7267 0.0000 . 1 . . 83188 . . 210 MET C . 51904 1 131 . 1 . 1 37 37 MET CA C 13 55.3181 0.0000 . 1 . . 83662 . . 210 MET CA . 51904 1 132 . 1 . 1 37 37 MET CB C 13 32.7944 0.0000 . 1 . . 84196 . . 210 MET CB . 51904 1 133 . 1 . 1 37 37 MET N N 15 121.9121 0.0000 . 1 . . 84723 . . 210 MET N . 51904 1 134 . 1 . 1 38 38 ALA H H 1 8.4109 0.0000 . 1 . . 84329 . . 211 ALA H . 51904 1 135 . 1 . 1 38 38 ALA C C 13 174.4820 0.0000 . 1 . . 83251 . . 211 ALA C . 51904 1 136 . 1 . 1 38 38 ALA CA C 13 52.7102 0.0000 . 1 . . 84307 . . 211 ALA CA . 51904 1 137 . 1 . 1 38 38 ALA CB C 13 19.2408 0.0000 . 1 . . 84328 . . 211 ALA CB . 51904 1 138 . 1 . 1 38 38 ALA N N 15 125.4096 0.0000 . 1 . . 84327 . . 211 ALA N . 51904 1 139 . 1 . 1 39 39 GLY H H 1 8.4659 0.0000 . 1 . . 82937 . . 212 GLY H . 51904 1 140 . 1 . 1 39 39 GLY C C 13 178.5771 0.0000 . 1 . . 82933 . . 212 GLY C . 51904 1 141 . 1 . 1 39 39 GLY CA C 13 45.2823 0.0000 . 1 . . 83701 . . 212 GLY CA . 51904 1 142 . 1 . 1 39 39 GLY N N 15 108.3862 0.0000 . 1 . . 82935 . . 212 GLY N . 51904 1 143 . 1 . 1 40 40 ASN H H 1 8.4418 0.0000 . 1 . . 84722 . . 213 ASN H . 51904 1 144 . 1 . 1 40 40 ASN C C 13 176.6555 0.0000 . 1 . . 83038 . . 213 ASN C . 51904 1 145 . 1 . 1 40 40 ASN CA C 13 53.1889 0.0000 . 1 . . 83947 . . 213 ASN CA . 51904 1 146 . 1 . 1 40 40 ASN CB C 13 38.9781 0.0000 . 1 . . 83941 . . 213 ASN CB . 51904 1 147 . 1 . 1 40 40 ASN N N 15 118.6602 0.0000 . 1 . . 84720 . . 213 ASN N . 51904 1 148 . 1 . 1 41 41 GLY H H 1 8.6186 0.0000 . 1 . . 84386 . . 214 GLY H . 51904 1 149 . 1 . 1 41 41 GLY C C 13 177.6614 0.0000 . 1 . . 82945 . . 214 GLY C . 51904 1 150 . 1 . 1 41 41 GLY N N 15 109.6151 0.0000 . 1 . . 84384 . . 214 GLY N . 51904 1 151 . 1 . 1 42 42 GLY H H 1 8.3783 0.0000 . 1 . . 83294 . . 215 GLY H . 51904 1 152 . 1 . 1 42 42 GLY C C 13 178.3381 0.0000 . 1 . . 82939 . . 215 GLY C . 51904 1 153 . 1 . 1 42 42 GLY CA C 13 45.4572 0.0000 . 1 . . 83542 . . 215 GLY CA . 51904 1 154 . 1 . 1 42 42 GLY N N 15 109.0942 0.0000 . 1 . . 83292 . . 215 GLY N . 51904 1 155 . 1 . 1 43 43 ASP H H 1 8.3319 0.0000 . 1 . . 83543 . . 216 ASP H . 51904 1 156 . 1 . 1 43 43 ASP C C 13 175.3232 0.0000 . 1 . . 83155 . . 216 ASP C . 51904 1 157 . 1 . 1 43 43 ASP CA C 13 55.2841 0.0000 . 1 . . 84142 . . 216 ASP CA . 51904 1 158 . 1 . 1 43 43 ASP CB C 13 40.8620 0.0000 . 1 . . 83665 . . 216 ASP CB . 51904 1 159 . 1 . 1 43 43 ASP N N 15 121.0335 0.0000 . 1 . . 83541 . . 216 ASP N . 51904 1 160 . 1 . 1 44 44 ALA H H 1 8.4881 0.0000 . 1 . . 83669 . . 217 ALA H . 51904 1 161 . 1 . 1 44 44 ALA C C 13 173.5667 0.0000 . 1 . . 83257 . . 217 ALA C . 51904 1 162 . 1 . 1 44 44 ALA CA C 13 54.1778 0.0000 . 1 . . 83554 . . 217 ALA CA . 51904 1 163 . 1 . 1 44 44 ALA CB C 13 18.4359 0.0000 . 1 . . 83551 . . 217 ALA CB . 51904 1 164 . 1 . 1 44 44 ALA N N 15 125.5396 0.0000 . 1 . . 83667 . . 217 ALA N . 51904 1 165 . 1 . 1 45 45 ALA H H 1 8.1069 0.0000 . 1 . . 84833 . . 218 ALA H . 51904 1 166 . 1 . 1 45 45 ALA C C 13 172.8050 0.0000 . 1 . . 83164 . . 218 ALA C . 51904 1 167 . 1 . 1 45 45 ALA CA C 13 54.1408 0.0000 . 1 . . 84160 . . 218 ALA CA . 51904 1 168 . 1 . 1 45 45 ALA CB C 13 18.3277 0.0000 . 1 . . 84163 . . 218 ALA CB . 51904 1 169 . 1 . 1 45 45 ALA N N 15 121.3701 0.0000 . 1 . . 84831 . . 218 ALA N . 51904 1 170 . 1 . 1 46 46 LEU H H 1 7.9188 0.0000 . 1 . . 83513 . . 219 LEU H . 51904 1 171 . 1 . 1 46 46 LEU C C 13 174.2239 0.0000 . 1 . . 83113 . . 219 LEU C . 51904 1 172 . 1 . 1 46 46 LEU CA C 13 56.8725 0.0000 . 1 . . 84076 . . 219 LEU CA . 51904 1 173 . 1 . 1 46 46 LEU CB C 13 41.6407 0.0000 . 1 . . 83572 . . 219 LEU CB . 51904 1 174 . 1 . 1 46 46 LEU N N 15 120.2244 0.0000 . 1 . . 83511 . . 219 LEU N . 51904 1 175 . 1 . 1 47 47 ALA H H 1 7.9472 0.0000 . 1 . . 84188 . . 220 ALA H . 51904 1 176 . 1 . 1 47 47 ALA C C 13 172.9287 0.0000 . 1 . . 83182 . . 220 ALA C . 51904 1 177 . 1 . 1 47 47 ALA CA C 13 54.3352 0.0000 . 1 . . 84181 . . 220 ALA CA . 51904 1 178 . 1 . 1 47 47 ALA CB C 13 18.1815 0.0000 . 1 . . 83440 . . 220 ALA CB . 51904 1 179 . 1 . 1 47 47 ALA N N 15 121.7871 0.0000 . 1 . . 84186 . . 220 ALA N . 51904 1 180 . 1 . 1 48 48 LEU H H 1 7.7292 0.0000 . 1 . . 83045 . . 221 LEU H . 51904 1 181 . 1 . 1 48 48 LEU C C 13 174.0150 0.0000 . 1 . . 83047 . . 221 LEU C . 51904 1 182 . 1 . 1 48 48 LEU CA C 13 56.8416 0.0000 . 1 . . 83548 . . 221 LEU CA . 51904 1 183 . 1 . 1 48 48 LEU CB C 13 41.8701 0.0000 . 1 . . 83545 . . 221 LEU CB . 51904 1 184 . 1 . 1 48 48 LEU N N 15 118.7300 0.0000 . 1 . . 83043 . . 221 LEU N . 51904 1 185 . 1 . 1 49 49 LEU H H 1 7.7930 0.0000 . 1 . . 83546 . . 222 LEU H . 51904 1 186 . 1 . 1 49 49 LEU C C 13 173.8093 0.0000 . 1 . . 83158 . . 222 LEU C . 51904 1 187 . 1 . 1 49 49 LEU CA C 13 56.7938 0.0000 . 1 . . 83503 . . 222 LEU CA . 51904 1 188 . 1 . 1 49 49 LEU CB C 13 41.9524 0.0000 . 1 . . 83506 . . 222 LEU CB . 51904 1 189 . 1 . 1 49 49 LEU N N 15 121.0653 0.0000 . 1 . . 83544 . . 222 LEU N . 51904 1 190 . 1 . 1 50 50 LEU H H 1 8.0044 0.0000 . 1 . . 83504 . . 223 LEU H . 51904 1 191 . 1 . 1 50 50 LEU C C 13 174.0786 0.0000 . 1 . . 83119 . . 223 LEU C . 51904 1 192 . 1 . 1 50 50 LEU CA C 13 56.6356 0.0000 . 1 . . 83527 . . 223 LEU CA . 51904 1 193 . 1 . 1 50 50 LEU CB C 13 41.5466 0.0000 . 1 . . 83530 . . 223 LEU CB . 51904 1 194 . 1 . 1 50 50 LEU N N 15 120.1845 0.0000 . 1 . . 83502 . . 223 LEU N . 51904 1 195 . 1 . 1 51 51 LEU H H 1 7.8302 0.0000 . 1 . . 83531 . . 224 LEU H . 51904 1 196 . 1 . 1 51 51 LEU C C 13 174.4573 0.0000 . 1 . . 83140 . . 224 LEU C . 51904 1 197 . 1 . 1 51 51 LEU CA C 13 56.7733 0.0000 . 1 . . 84016 . . 224 LEU CA . 51904 1 198 . 1 . 1 51 51 LEU CB C 13 42.0130 0.0000 . 1 . . 83479 . . 224 LEU CB . 51904 1 199 . 1 . 1 51 51 LEU N N 15 120.7676 0.0000 . 1 . . 83529 . . 224 LEU N . 51904 1 200 . 1 . 1 52 52 ASP H H 1 8.1313 0.0000 . 1 . . 83075 . . 225 ASP H . 51904 1 201 . 1 . 1 52 52 ASP C C 13 175.0090 0.0000 . 1 . . 83074 . . 225 ASP C . 51904 1 202 . 1 . 1 52 52 ASP CA C 13 55.9082 0.0000 . 1 . . 84043 . . 225 ASP CA . 51904 1 203 . 1 . 1 52 52 ASP CB C 13 40.9404 0.0000 . 1 . . 84019 . . 225 ASP CB . 51904 1 204 . 1 . 1 52 52 ASP N N 15 119.8400 0.0000 . 1 . . 83073 . . 225 ASP N . 51904 1 205 . 1 . 1 53 53 ARG H H 1 8.0652 0.0000 . 1 . . 83483 . . 226 ARG H . 51904 1 206 . 1 . 1 53 53 ARG C C 13 174.8064 0.0000 . 1 . . 83089 . . 226 ARG C . 51904 1 207 . 1 . 1 53 53 ARG CA C 13 57.8398 0.0000 . 1 . . 83536 . . 226 ARG CA . 51904 1 208 . 1 . 1 53 53 ARG CB C 13 30.2339 0.0000 . 1 . . 83539 . . 226 ARG CB . 51904 1 209 . 1 . 1 53 53 ARG N N 15 119.9464 0.0000 . 1 . . 83481 . . 226 ARG N . 51904 1 210 . 1 . 1 54 54 LEU H H 1 8.1359 0.0000 . 1 . . 83540 . . 227 LEU H . 51904 1 211 . 1 . 1 54 54 LEU C C 13 174.3398 0.0000 . 1 . . 83146 . . 227 LEU C . 51904 1 212 . 1 . 1 54 54 LEU CA C 13 56.6457 0.0000 . 1 . . 84133 . . 227 LEU CA . 51904 1 213 . 1 . 1 54 54 LEU CB C 13 41.7569 0.0000 . 1 . . 83416 . . 227 LEU CB . 51904 1 214 . 1 . 1 54 54 LEU N N 15 120.9420 0.0000 . 1 . . 83538 . . 227 LEU N . 51904 1 215 . 1 . 1 55 55 ASN H H 1 8.3157 0.0000 . 1 . . 83417 . . 228 ASN H . 51904 1 216 . 1 . 1 55 55 ASN C C 13 176.2976 0.0000 . 1 . . 83029 . . 228 ASN C . 51904 1 217 . 1 . 1 55 55 ASN CA C 13 54.3554 0.0000 . 1 . . 83908 . . 228 ASN CA . 51904 1 218 . 1 . 1 55 55 ASN CB C 13 38.4406 0.0000 . 1 . . 83488 . . 228 ASN CB . 51904 1 219 . 1 . 1 55 55 ASN N N 15 118.2286 0.0000 . 1 . . 83415 . . 228 ASN N . 51904 1 220 . 1 . 1 56 56 GLN H H 1 8.2091 0.0000 . 1 . . 83468 . . 229 GLN H . 51904 1 221 . 1 . 1 56 56 GLN C C 13 175.7199 0.0000 . 1 . . 83083 . . 229 GLN C . 51904 1 222 . 1 . 1 56 56 GLN CA C 13 56.9240 0.0000 . 1 . . 84034 . . 229 GLN CA . 51904 1 223 . 1 . 1 56 56 GLN CB C 13 28.8901 0.0000 . 1 . . 84028 . . 229 GLN CB . 51904 1 224 . 1 . 1 56 56 GLN N N 15 119.9366 0.0000 . 1 . . 83466 . . 229 GLN N . 51904 1 225 . 1 . 1 57 57 LEU H H 1 8.1209 0.0000 . 1 . . 84827 . . 230 LEU H . 51904 1 226 . 1 . 1 57 57 LEU C C 13 174.4907 0.0000 . 1 . . 83191 . . 230 LEU C . 51904 1 227 . 1 . 1 57 57 LEU CA C 13 56.2493 0.0000 . 1 . . 84211 . . 230 LEU CA . 51904 1 228 . 1 . 1 57 57 LEU CB C 13 42.1092 0.0000 . 1 . . 84208 . . 230 LEU CB . 51904 1 229 . 1 . 1 57 57 LEU N N 15 121.9713 0.0000 . 1 . . 84825 . . 230 LEU N . 51904 1 230 . 1 . 1 58 58 GLU H H 1 8.3462 0.0000 . 1 . . 83525 . . 231 GLU H . 51904 1 231 . 1 . 1 58 58 GLU C C 13 175.3088 0.0000 . 1 . . 83131 . . 231 GLU C . 51904 1 232 . 1 . 1 58 58 GLU CA C 13 57.4064 0.0000 . 1 . . 83374 . . 231 GLU CA . 51904 1 233 . 1 . 1 58 58 GLU CB C 13 29.9200 0.0000 . 1 . . 84151 . . 231 GLU CB . 51904 1 234 . 1 . 1 58 58 GLU N N 15 120.6424 0.0000 . 1 . . 83523 . . 231 GLU N . 51904 1 235 . 1 . 1 59 59 SER H H 1 8.2541 0.0000 . 1 . . 84803 . . 232 SER H . 51904 1 236 . 1 . 1 59 59 SER CA C 13 59.2067 0.0000 . 1 . . 83842 . . 232 SER CA . 51904 1 237 . 1 . 1 59 59 SER CB C 13 63.5513 0.0000 . 1 . . 83611 . . 232 SER CB . 51904 1 238 . 1 . 1 59 59 SER N N 15 116.2453 0.0000 . 1 . . 84801 . . 232 SER N . 51904 1 239 . 1 . 1 60 60 LYS H H 1 8.2443 0.0000 . 1 . . 84248 . . 233 LYS H . 51904 1 240 . 1 . 1 60 60 LYS C C 13 175.5542 0.0000 . 1 . . 83212 . . 233 LYS C . 51904 1 241 . 1 . 1 60 60 LYS CA C 13 56.8586 0.0000 . 1 . . 83500 . . 233 LYS CA . 51904 1 242 . 1 . 1 60 60 LYS CB C 13 32.6225 0.0000 . 1 . . 83497 . . 233 LYS CB . 51904 1 243 . 1 . 1 60 60 LYS N N 15 122.7142 0.0000 . 1 . . 84246 . . 233 LYS N . 51904 1 244 . 1 . 1 61 61 MET H H 1 8.2744 0.0000 . 1 . . 84410 . . 234 MET H . 51904 1 245 . 1 . 1 61 61 MET C C 13 176.0716 0.0000 . 1 . . 83092 . . 234 MET C . 51904 1 246 . 1 . 1 61 61 MET CA C 13 55.6742 0.0000 . 1 . . 84409 . . 234 MET CA . 51904 1 247 . 1 . 1 61 61 MET CB C 13 32.5806 0.0000 . 1 . . 83389 . . 234 MET CB . 51904 1 248 . 1 . 1 61 61 MET N N 15 120.0036 0.0000 . 1 . . 84408 . . 234 MET N . 51904 1 249 . 1 . 1 62 62 SER H H 1 8.2904 0.0000 . 1 . . 83882 . . 235 SER H . 51904 1 250 . 1 . 1 62 62 SER CA C 13 58.7115 0.0000 . 1 . . 83872 . . 235 SER CA . 51904 1 251 . 1 . 1 62 62 SER CB C 13 63.8666 0.0000 . 1 . . 83869 . . 235 SER CB . 51904 1 252 . 1 . 1 62 62 SER N N 15 116.5856 0.0000 . 1 . . 83880 . . 235 SER N . 51904 1 253 . 1 . 1 63 63 GLY H H 1 8.4670 0.0000 . 1 . . 83768 . . 236 GLY H . 51904 1 254 . 1 . 1 63 63 GLY C C 13 178.3275 0.0000 . 1 . . 82981 . . 236 GLY C . 51904 1 255 . 1 . 1 63 63 GLY CA C 13 45.4410 0.0000 . 1 . . 83533 . . 236 GLY CA . 51904 1 256 . 1 . 1 63 63 GLY N N 15 110.9707 0.0000 . 1 . . 83766 . . 236 GLY N . 51904 1 257 . 1 . 1 64 64 LYS H H 1 8.2493 0.0000 . 1 . . 83138 . . 237 LYS H . 51904 1 258 . 1 . 1 64 64 LYS C C 13 175.3269 0.0000 . 1 . . 83134 . . 237 LYS C . 51904 1 259 . 1 . 1 64 64 LYS CA C 13 56.5333 0.0000 . 1 . . 84121 . . 237 LYS CA . 51904 1 260 . 1 . 1 64 64 LYS CB C 13 32.8362 0.0000 . 1 . . 84115 . . 237 LYS CB . 51904 1 261 . 1 . 1 64 64 LYS N N 15 120.7740 0.0000 . 1 . . 83136 . . 237 LYS N . 51904 1 262 . 1 . 1 65 65 GLY H H 1 8.5652 0.0000 . 1 . . 83723 . . 238 GLY H . 51904 1 263 . 1 . 1 65 65 GLY C C 13 178.4148 0.0000 . 1 . . 82957 . . 238 GLY C . 51904 1 264 . 1 . 1 65 65 GLY CA C 13 45.3465 0.0000 . 1 . . 83719 . . 238 GLY CA . 51904 1 265 . 1 . 1 65 65 GLY N N 15 110.0422 0.0000 . 1 . . 83721 . . 238 GLY N . 51904 1 266 . 1 . 1 66 66 GLN H H 1 8.3035 0.0000 . 1 . . 84791 . . 239 GLN H . 51904 1 267 . 1 . 1 66 66 GLN C C 13 176.4975 0.0000 . 1 . . 83065 . . 239 GLN C . 51904 1 268 . 1 . 1 66 66 GLN CA C 13 55.8715 0.0000 . 1 . . 83560 . . 239 GLN CA . 51904 1 269 . 1 . 1 66 66 GLN CB C 13 29.3708 0.0000 . 1 . . 83557 . . 239 GLN CB . 51904 1 270 . 1 . 1 66 66 GLN N N 15 119.8340 0.0000 . 1 . . 84789 . . 239 GLN N . 51904 1 271 . 1 . 1 67 67 GLN H H 1 8.5509 0.0000 . 1 . . 83558 . . 240 GLN H . 51904 1 272 . 1 . 1 67 67 GLN C C 13 176.6271 0.0000 . 1 . . 91434 . . 240 GLN C . 51904 1 273 . 1 . 1 67 67 GLN CA C 13 56.0565 0.0000 . 1 . . 83575 . . 240 GLN CA . 51904 1 274 . 1 . 1 67 67 GLN CB C 13 29.2286 0.0000 . 1 . . 83578 . . 240 GLN CB . 51904 1 275 . 1 . 1 67 67 GLN N N 15 121.6368 0.0000 . 1 . . 83556 . . 240 GLN N . 51904 1 276 . 1 . 1 68 68 GLN H H 1 8.5309 0.0000 . 1 . . 83576 . . 241 GLN H . 51904 1 277 . 1 . 1 68 68 GLN C C 13 176.7467 0.0000 . 1 . . 83179 . . 241 GLN C . 51904 1 278 . 1 . 1 68 68 GLN CA C 13 55.8623 0.0000 . 1 . . 83593 . . 241 GLN CA . 51904 1 279 . 1 . 1 68 68 GLN CB C 13 29.3310 0.0000 . 1 . . 83596 . . 241 GLN CB . 51904 1 280 . 1 . 1 68 68 GLN N N 15 121.8123 0.0000 . 1 . . 83574 . . 241 GLN N . 51904 1 281 . 1 . 1 69 69 GLN H H 1 8.5795 0.0000 . 1 . . 83201 . . 242 GLN H . 51904 1 282 . 1 . 1 69 69 GLN C C 13 176.1671 0.0000 . 1 . . 84658 . . 242 GLN C . 51904 1 283 . 1 . 1 69 69 GLN CA C 13 56.0990 0.0000 . 1 . . 83329 . . 242 GLN CA . 51904 1 284 . 1 . 1 69 69 GLN CB C 13 29.3955 0.0000 . 1 . . 84361 . . 242 GLN CB . 51904 1 285 . 1 . 1 69 69 GLN N N 15 122.0721 0.0000 . 1 . . 83199 . . 242 GLN N . 51904 1 286 . 1 . 1 70 70 GLY H H 1 8.5878 0.0000 . 1 . . 83759 . . 243 GLY H . 51904 1 287 . 1 . 1 70 70 GLY C C 13 178.6518 0.0000 . 1 . . 82975 . . 243 GLY C . 51904 1 288 . 1 . 1 70 70 GLY CA C 13 45.2479 0.0000 . 1 . . 83752 . . 243 GLY CA . 51904 1 289 . 1 . 1 70 70 GLY N N 15 110.5910 0.0000 . 1 . . 83757 . . 243 GLY N . 51904 1 290 . 1 . 1 71 71 GLN H H 1 8.3643 0.0000 . 1 . . 83474 . . 244 GLN H . 51904 1 291 . 1 . 1 71 71 GLN C C 13 176.2578 0.0000 . 1 . . 83098 . . 244 GLN C . 51904 1 292 . 1 . 1 71 71 GLN CA C 13 55.7186 0.0000 . 1 . . 83359 . . 244 GLN CA . 51904 1 293 . 1 . 1 71 71 GLN CB C 13 29.4727 0.0000 . 1 . . 83362 . . 244 GLN CB . 51904 1 294 . 1 . 1 71 71 GLN N N 15 119.9850 0.0000 . 1 . . 83472 . . 244 GLN N . 51904 1 295 . 1 . 1 72 72 THR H H 1 8.4987 0.0000 . 1 . . 83363 . . 245 THR H . 51904 1 296 . 1 . 1 72 72 THR C C 13 177.4524 0.0000 . 1 . . 83008 . . 245 THR C . 51904 1 297 . 1 . 1 72 72 THR CA C 13 62.1893 0.0000 . 1 . . 83821 . . 245 THR CA . 51904 1 298 . 1 . 1 72 72 THR CB C 13 69.9185 0.0000 . 1 . . 83824 . . 245 THR CB . 51904 1 299 . 1 . 1 72 72 THR N N 15 115.5611 0.0000 . 1 . . 83361 . . 245 THR N . 51904 1 300 . 1 . 1 73 73 GLY H H 1 8.6420 0.0000 . 1 . . 83774 . . 246 GLY H . 51904 1 301 . 1 . 1 73 73 GLY C C 13 178.0958 0.0000 . 1 . . 82987 . . 246 GLY C . 51904 1 302 . 1 . 1 73 73 GLY CA C 13 45.4100 0.0000 . 1 . . 83770 . . 246 GLY CA . 51904 1 303 . 1 . 1 73 73 GLY N N 15 111.7786 0.0000 . 1 . . 83772 . . 246 GLY N . 51904 1 304 . 1 . 1 74 74 THR H H 1 8.1524 0.0000 . 1 . . 84815 . . 247 THR H . 51904 1 305 . 1 . 1 74 74 THR C C 13 177.8553 0.0000 . 1 . . 82993 . . 247 THR C . 51904 1 306 . 1 . 1 74 74 THR CA C 13 61.8865 0.0000 . 1 . . 83782 . . 247 THR CA . 51904 1 307 . 1 . 1 74 74 THR CB C 13 69.6469 0.0000 . 1 . . 83785 . . 247 THR CB . 51904 1 308 . 1 . 1 74 74 THR N N 15 112.9737 0.0000 . 1 . . 84813 . . 247 THR N . 51904 1 309 . 1 . 1 75 75 GLU H H 1 8.6757 0.0000 . 1 . . 83624 . . 248 GLU H . 51904 1 310 . 1 . 1 75 75 GLU C C 13 176.5414 0.0000 . 1 . . 83227 . . 248 GLU C . 51904 1 311 . 1 . 1 75 75 GLU CA C 13 57.1465 0.0000 . 1 . . 84265 . . 248 GLU CA . 51904 1 312 . 1 . 1 75 75 GLU CB C 13 29.9162 0.0000 . 1 . . 84262 . . 248 GLU CB . 51904 1 313 . 1 . 1 75 75 GLU N N 15 123.0712 0.0000 . 1 . . 83622 . . 248 GLU N . 51904 1 314 . 1 . 1 76 76 ASN H H 1 8.4852 0.0000 . 1 . . 84695 . . 249 ASN H . 51904 1 315 . 1 . 1 76 76 ASN C C 13 177.8831 0.0000 . 1 . . 83050 . . 249 ASN C . 51904 1 316 . 1 . 1 76 76 ASN CA C 13 53.1971 0.0000 . 1 . . 83599 . . 249 ASN CA . 51904 1 317 . 1 . 1 76 76 ASN CB C 13 38.6590 0.0000 . 1 . . 83602 . . 249 ASN CB . 51904 1 318 . 1 . 1 76 76 ASN N N 15 119.3671 0.0000 . 1 . . 84693 . . 249 ASN N . 51904 1 319 . 1 . 1 77 77 LEU H H 1 8.0993 0.0000 . 1 . . 84830 . . 250 LEU H . 51904 1 320 . 1 . 1 77 77 LEU C C 13 175.9576 0.0000 . 1 . . 83203 . . 250 LEU C . 51904 1 321 . 1 . 1 77 77 LEU CA C 13 55.2079 0.0000 . 1 . . 84217 . . 250 LEU CA . 51904 1 322 . 1 . 1 77 77 LEU CB C 13 42.2487 0.0000 . 1 . . 83485 . . 250 LEU CB . 51904 1 323 . 1 . 1 77 77 LEU N N 15 122.2727 0.0000 . 1 . . 84828 . . 250 LEU N . 51904 1 324 . 1 . 1 78 78 TYR H H 1 8.0495 0.0000 . 1 . . 84005 . . 251 TYR H . 51904 1 325 . 1 . 1 78 78 TYR C C 13 177.5306 0.0000 . 1 . . 85086 . . 251 TYR C . 51904 1 326 . 1 . 1 78 78 TYR CA C 13 57.5500 0.0000 . 1 . . 83563 . . 251 TYR CA . 51904 1 327 . 1 . 1 78 78 TYR CB C 13 38.7536 0.0000 . 1 . . 84178 . . 251 TYR CB . 51904 1 328 . 1 . 1 78 78 TYR N N 15 119.8335 0.0000 . 1 . . 84003 . . 251 TYR N . 51904 1 329 . 1 . 1 79 79 PHE H H 1 8.0647 0.0000 . 1 . . 83564 . . 252 PHE H . 51904 1 330 . 1 . 1 79 79 PHE C C 13 178.2162 0.0000 . 1 . . 87127 . . 252 PHE C . 51904 1 331 . 1 . 1 79 79 PHE CA C 13 57.5370 0.0000 . 1 . . 83671 . . 252 PHE CA . 51904 1 332 . 1 . 1 79 79 PHE CB C 13 39.6023 0.0000 . 1 . . 83674 . . 252 PHE CB . 51904 1 333 . 1 . 1 79 79 PHE N N 15 121.7210 0.0000 . 1 . . 83562 . . 252 PHE N . 51904 1 334 . 1 . 1 80 80 GLN H H 1 7.8140 0.0000 . 1 . . 83672 . . 253 GLN H . 51904 1 335 . 1 . 1 80 80 GLN C C 13 172.4617 0.0000 . 1 . . 83263 . . 253 GLN C . 51904 1 336 . 1 . 1 80 80 GLN CA C 13 57.4264 0.0000 . 1 . . 84349 . . 253 GLN CA . 51904 1 337 . 1 . 1 80 80 GLN CB C 13 30.4777 0.0000 . 1 . . 84343 . . 253 GLN CB . 51904 1 338 . 1 . 1 80 80 GLN N N 15 126.2553 0.0000 . 1 . . 83670 . . 253 GLN N . 51904 1 stop_ save_