data_50314 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50314 _Entry.Title ; FtsZ CTD (317-383) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-10 _Entry.Accession_date 2020-06-10 _Entry.Last_release_date 2020-06-10 _Entry.Original_release_date 2020-06-10 _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 . _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 'Theodora Myrto' Perdikari . . . . 50314 2 Anastasia Murthy . . . . 50314 3 Xien Chua . . . . 50314 4 Botai Xuan . . . . 50314 5 Kaylee Mathews . . . . 50314 6 Nicolas Fawzi . . . . 50314 7 Jodi Camberg . . . . 50314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 200 50314 '15N chemical shifts' 58 50314 '1H chemical shifts' 58 50314 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-08-31 2020-06-10 update BMRB 'update entry citation' 50314 1 . . 2022-04-13 2020-06-10 original author 'original release' 50314 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50314 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35481648 _Citation.DOI 10.1002/pro.4306 _Citation.Full_citation . _Citation.Title ; An enhancer sequence in the intrinsically disordered region of FtsZ promotes polymer-guided substrate processing by ClpXP protease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 e4306 _Citation.Page_last e4306 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marissa Viola . G. . . 50314 1 2 Theodora Perdikari . M. . . 50314 1 3 Catherine Trebino . . . . 50314 1 4 Negar Rahmani . . . . 50314 1 5 Kaylee Mathews . L. . . 50314 1 6 Carolina Pena . M. . . 50314 1 7 XienYu Chua . . . . 50314 1 8 Botai Xuan . . . . 50314 1 9 Christopher LaBreck . J. . . 50314 1 10 Nicolas Fawzi . L. . . 50314 1 11 Jodi Camberg . L. . . 50314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50314 _Assembly.ID 1 _Assembly.Name 'E. Coli FtsZ CTD' _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 'E. Coli FtsZ' 1 $entity_1 . . yes native no no . . . 50314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50314 _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 ; GMDKRPEITLVTNKQVQQPV MDRYQQHGMAPLTQEQKPVA KVVNDNAPQTAKEPDYLDIP AFLRKQAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Sequence used for assignements: MDKRPEITLVTNKQVQQPVMDRYQQHGMAPLTQEQKPVAKVVNDNAPQTAKEPDYLDIPAFLRKQAD Numbering: 317-383 Gly before Met at the N terminus is the result of TEV protease cleavage ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 50314 1 2 317 MET . 50314 1 3 318 ASP . 50314 1 4 319 LYS . 50314 1 5 320 ARG . 50314 1 6 321 PRO . 50314 1 7 322 GLU . 50314 1 8 323 ILE . 50314 1 9 324 THR . 50314 1 10 325 LEU . 50314 1 11 326 VAL . 50314 1 12 327 THR . 50314 1 13 328 ASN . 50314 1 14 329 LYS . 50314 1 15 330 GLN . 50314 1 16 331 VAL . 50314 1 17 332 GLN . 50314 1 18 333 GLN . 50314 1 19 334 PRO . 50314 1 20 335 VAL . 50314 1 21 336 MET . 50314 1 22 337 ASP . 50314 1 23 338 ARG . 50314 1 24 339 TYR . 50314 1 25 340 GLN . 50314 1 26 341 GLN . 50314 1 27 342 HIS . 50314 1 28 343 GLY . 50314 1 29 344 MET . 50314 1 30 345 ALA . 50314 1 31 346 PRO . 50314 1 32 347 LEU . 50314 1 33 348 THR . 50314 1 34 349 GLN . 50314 1 35 350 GLU . 50314 1 36 351 GLN . 50314 1 37 352 LYS . 50314 1 38 353 PRO . 50314 1 39 354 VAL . 50314 1 40 355 ALA . 50314 1 41 356 LYS . 50314 1 42 357 VAL . 50314 1 43 358 VAL . 50314 1 44 359 ASN . 50314 1 45 360 ASP . 50314 1 46 361 ASN . 50314 1 47 362 ALA . 50314 1 48 363 PRO . 50314 1 49 364 GLN . 50314 1 50 365 THR . 50314 1 51 366 ALA . 50314 1 52 367 LYS . 50314 1 53 368 GLU . 50314 1 54 369 PRO . 50314 1 55 370 ASP . 50314 1 56 371 TYR . 50314 1 57 372 LEU . 50314 1 58 373 ASP . 50314 1 59 374 ILE . 50314 1 60 375 PRO . 50314 1 61 376 ALA . 50314 1 62 377 PHE . 50314 1 63 378 LEU . 50314 1 64 379 ARG . 50314 1 65 380 LYS . 50314 1 66 381 GLN . 50314 1 67 382 ALA . 50314 1 68 383 ASP . 50314 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 50314 1 . MET 2 2 50314 1 . ASP 3 3 50314 1 . LYS 4 4 50314 1 . ARG 5 5 50314 1 . PRO 6 6 50314 1 . GLU 7 7 50314 1 . ILE 8 8 50314 1 . THR 9 9 50314 1 . LEU 10 10 50314 1 . VAL 11 11 50314 1 . THR 12 12 50314 1 . ASN 13 13 50314 1 . LYS 14 14 50314 1 . GLN 15 15 50314 1 . VAL 16 16 50314 1 . GLN 17 17 50314 1 . GLN 18 18 50314 1 . PRO 19 19 50314 1 . VAL 20 20 50314 1 . MET 21 21 50314 1 . ASP 22 22 50314 1 . ARG 23 23 50314 1 . TYR 24 24 50314 1 . GLN 25 25 50314 1 . GLN 26 26 50314 1 . HIS 27 27 50314 1 . GLY 28 28 50314 1 . MET 29 29 50314 1 . ALA 30 30 50314 1 . PRO 31 31 50314 1 . LEU 32 32 50314 1 . THR 33 33 50314 1 . GLN 34 34 50314 1 . GLU 35 35 50314 1 . GLN 36 36 50314 1 . LYS 37 37 50314 1 . PRO 38 38 50314 1 . VAL 39 39 50314 1 . ALA 40 40 50314 1 . LYS 41 41 50314 1 . VAL 42 42 50314 1 . VAL 43 43 50314 1 . ASN 44 44 50314 1 . ASP 45 45 50314 1 . ASN 46 46 50314 1 . ALA 47 47 50314 1 . PRO 48 48 50314 1 . GLN 49 49 50314 1 . THR 50 50 50314 1 . ALA 51 51 50314 1 . LYS 52 52 50314 1 . GLU 53 53 50314 1 . PRO 54 54 50314 1 . ASP 55 55 50314 1 . TYR 56 56 50314 1 . LEU 57 57 50314 1 . ASP 58 58 50314 1 . ILE 59 59 50314 1 . PRO 60 60 50314 1 . ALA 61 61 50314 1 . PHE 62 62 50314 1 . LEU 63 63 50314 1 . ARG 64 64 50314 1 . LYS 65 65 50314 1 . GLN 66 66 50314 1 . ALA 67 67 50314 1 . ASP 68 68 50314 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 50314 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50314 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 50314 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET_6xHis_GFP_TEV_FtsZ_CTD . . . 50314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50314 _Sample.ID 1 _Sample.Name 'FtsZ CTD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'E. coli FtsZ CTD' '[U-13C; U-15N]' . . 1 $entity_1 . . 163 . . uM . . . . 50314 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 50314 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 50314 1 4 MgCl2 'natural abundance' . . . . . . 10 . . mM . . . . 50314 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 50314 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'FtsZ CTD sample 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 110 . mM 50314 1 pH 6.5 . pH 50314 1 pressure 1 . atm 50314 1 temperature 298 . K 50314 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50314 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50314 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 50314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 50314 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50314 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50314 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50314 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50314 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50314 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 50314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name assigned_chemical_shift_list_1 _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 TSP 'methyl carbons' . . . . ppm 117.081 external indirect 1 . . . . . 50314 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 50314 1 N 15 'ammonium chloride' nitrogen . . . . ppm 42.75 external indirect 1 . . . . . 50314 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 50314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'E. coli FtsZ CTD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50314 1 2 '3D HNCO' . . . 50314 1 3 '3D HN(CA)CO' . . . 50314 1 4 '3D CBCA(CO)NH' . . . 50314 1 5 '3D HNCACB' . . . 50314 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 . . 50314 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 MET C C 13 175.646 0.00 . . . . . . . 317 MET C . 50314 1 2 . 1 . 1 2 2 MET CA C 13 55.474 0.02 . . . . . . . 317 MET CA . 50314 1 3 . 1 . 1 2 2 MET CB C 13 32.780 0.04 . . . . . . . 317 MET CB . 50314 1 4 . 1 . 1 3 3 ASP H H 1 8.435 0.00 . . . . . . . 318 ASP H . 50314 1 5 . 1 . 1 3 3 ASP C C 13 175.693 0.02 . . . . . . . 318 ASP C . 50314 1 6 . 1 . 1 3 3 ASP CA C 13 54.282 0.02 . . . . . . . 318 ASP CA . 50314 1 7 . 1 . 1 3 3 ASP CB C 13 40.998 0.02 . . . . . . . 318 ASP CB . 50314 1 8 . 1 . 1 3 3 ASP N N 15 121.954 0.01 . . . . . . . 318 ASP N . 50314 1 9 . 1 . 1 4 4 LYS H H 1 8.179 0.00 . . . . . . . 319 LYS H . 50314 1 10 . 1 . 1 4 4 LYS C C 13 176.103 0.00 . . . . . . . 319 LYS C . 50314 1 11 . 1 . 1 4 4 LYS CA C 13 55.809 0.01 . . . . . . . 319 LYS CA . 50314 1 12 . 1 . 1 4 4 LYS CB C 13 32.858 0.01 . . . . . . . 319 LYS CB . 50314 1 13 . 1 . 1 4 4 LYS N N 15 121.678 0.01 . . . . . . . 319 LYS N . 50314 1 14 . 1 . 1 5 5 ARG H H 1 8.320 0.00 . . . . . . . 320 ARG H . 50314 1 15 . 1 . 1 5 5 ARG C C 13 174.266 0.00 . . . . . . . 320 ARG C . 50314 1 16 . 1 . 1 5 5 ARG CA C 13 54.153 0.00 . . . . . . . 320 ARG CA . 50314 1 17 . 1 . 1 5 5 ARG CB C 13 29.624 0.00 . . . . . . . 320 ARG CB . 50314 1 18 . 1 . 1 5 5 ARG N N 15 124.013 0.01 . . . . . . . 320 ARG N . 50314 1 19 . 1 . 1 6 6 PRO C C 13 176.719 0.01 . . . . . . . 321 PRO C . 50314 1 20 . 1 . 1 6 6 PRO CA C 13 63.123 0.01 . . . . . . . 321 PRO CA . 50314 1 21 . 1 . 1 6 6 PRO CB C 13 31.949 0.00 . . . . . . . 321 PRO CB . 50314 1 22 . 1 . 1 7 7 GLU H H 1 8.531 0.00 . . . . . . . 322 GLU H . 50314 1 23 . 1 . 1 7 7 GLU C C 13 176.433 0.01 . . . . . . . 322 GLU C . 50314 1 24 . 1 . 1 7 7 GLU CA C 13 56.559 0.02 . . . . . . . 322 GLU CA . 50314 1 25 . 1 . 1 7 7 GLU CB C 13 30.011 0.00 . . . . . . . 322 GLU CB . 50314 1 26 . 1 . 1 7 7 GLU N N 15 121.330 0.01 . . . . . . . 322 GLU N . 50314 1 27 . 1 . 1 8 8 ILE H H 1 8.104 0.00 . . . . . . . 323 ILE H . 50314 1 28 . 1 . 1 8 8 ILE C C 13 176.145 0.01 . . . . . . . 323 ILE C . 50314 1 29 . 1 . 1 8 8 ILE CA C 13 60.900 0.02 . . . . . . . 323 ILE CA . 50314 1 30 . 1 . 1 8 8 ILE CB C 13 38.597 0.02 . . . . . . . 323 ILE CB . 50314 1 31 . 1 . 1 8 8 ILE N N 15 121.931 0.01 . . . . . . . 323 ILE N . 50314 1 32 . 1 . 1 9 9 THR H H 1 8.154 0.00 . . . . . . . 324 THR H . 50314 1 33 . 1 . 1 9 9 THR C C 13 174.034 0.01 . . . . . . . 324 THR C . 50314 1 34 . 1 . 1 9 9 THR CA C 13 61.859 0.02 . . . . . . . 324 THR CA . 50314 1 35 . 1 . 1 9 9 THR CB C 13 69.622 0.01 . . . . . . . 324 THR CB . 50314 1 36 . 1 . 1 9 9 THR N N 15 119.144 0.01 . . . . . . . 324 THR N . 50314 1 37 . 1 . 1 10 10 LEU H H 1 8.197 0.00 . . . . . . . 325 LEU H . 50314 1 38 . 1 . 1 10 10 LEU C C 13 176.969 0.00 . . . . . . . 325 LEU C . 50314 1 39 . 1 . 1 10 10 LEU CA C 13 55.061 0.01 . . . . . . . 325 LEU CA . 50314 1 40 . 1 . 1 10 10 LEU CB C 13 42.284 0.01 . . . . . . . 325 LEU CB . 50314 1 41 . 1 . 1 10 10 LEU N N 15 125.471 0.01 . . . . . . . 325 LEU N . 50314 1 42 . 1 . 1 11 11 VAL H H 1 8.111 0.00 . . . . . . . 326 VAL H . 50314 1 43 . 1 . 1 11 11 VAL C C 13 176.217 0.01 . . . . . . . 326 VAL C . 50314 1 44 . 1 . 1 11 11 VAL CA C 13 62.260 0.02 . . . . . . . 326 VAL CA . 50314 1 45 . 1 . 1 11 11 VAL CB C 13 32.479 0.01 . . . . . . . 326 VAL CB . 50314 1 46 . 1 . 1 11 11 VAL N N 15 121.840 0.02 . . . . . . . 326 VAL N . 50314 1 47 . 1 . 1 12 12 THR H H 1 8.129 0.00 . . . . . . . 327 THR H . 50314 1 48 . 1 . 1 12 12 THR C C 13 174.103 0.01 . . . . . . . 327 THR C . 50314 1 49 . 1 . 1 12 12 THR CA C 13 61.612 0.01 . . . . . . . 327 THR CA . 50314 1 50 . 1 . 1 12 12 THR CB C 13 69.657 0.01 . . . . . . . 327 THR CB . 50314 1 51 . 1 . 1 12 12 THR N N 15 117.646 0.01 . . . . . . . 327 THR N . 50314 1 52 . 1 . 1 13 13 ASN H H 1 8.314 0.00 . . . . . . . 328 ASN H . 50314 1 53 . 1 . 1 13 13 ASN C C 13 174.955 0.01 . . . . . . . 328 ASN C . 50314 1 54 . 1 . 1 13 13 ASN CA C 13 53.230 0.01 . . . . . . . 328 ASN CA . 50314 1 55 . 1 . 1 13 13 ASN CB C 13 38.644 0.02 . . . . . . . 328 ASN CB . 50314 1 56 . 1 . 1 13 13 ASN N N 15 121.161 0.01 . . . . . . . 328 ASN N . 50314 1 57 . 1 . 1 14 14 LYS H H 1 8.200 0.00 . . . . . . . 329 LYS H . 50314 1 58 . 1 . 1 14 14 LYS C C 13 176.275 0.01 . . . . . . . 329 LYS C . 50314 1 59 . 1 . 1 14 14 LYS CA C 13 56.358 0.00 . . . . . . . 329 LYS CA . 50314 1 60 . 1 . 1 14 14 LYS CB C 13 32.663 0.00 . . . . . . . 329 LYS CB . 50314 1 61 . 1 . 1 14 14 LYS N N 15 121.592 0.01 . . . . . . . 329 LYS N . 50314 1 62 . 1 . 1 15 15 GLN H H 1 8.288 0.00 . . . . . . . 330 GLN H . 50314 1 63 . 1 . 1 15 15 GLN C C 13 175.789 0.00 . . . . . . . 330 GLN C . 50314 1 64 . 1 . 1 15 15 GLN CA C 13 55.766 0.00 . . . . . . . 330 GLN CA . 50314 1 65 . 1 . 1 15 15 GLN CB C 13 29.253 0.01 . . . . . . . 330 GLN CB . 50314 1 66 . 1 . 1 15 15 GLN N N 15 121.434 0.00 . . . . . . . 330 GLN N . 50314 1 67 . 1 . 1 16 16 VAL H H 1 8.074 0.00 . . . . . . . 331 VAL H . 50314 1 68 . 1 . 1 16 16 VAL C C 13 175.860 0.02 . . . . . . . 331 VAL C . 50314 1 69 . 1 . 1 16 16 VAL CA C 13 62.184 0.01 . . . . . . . 331 VAL CA . 50314 1 70 . 1 . 1 16 16 VAL CB C 13 32.658 0.01 . . . . . . . 331 VAL CB . 50314 1 71 . 1 . 1 16 16 VAL N N 15 121.565 0.01 . . . . . . . 331 VAL N . 50314 1 72 . 1 . 1 17 17 GLN H H 1 8.368 0.00 . . . . . . . 332 GLN H . 50314 1 73 . 1 . 1 17 17 GLN C C 13 175.450 0.00 . . . . . . . 332 GLN C . 50314 1 74 . 1 . 1 17 17 GLN CA C 13 55.474 0.02 . . . . . . . 332 GLN CA . 50314 1 75 . 1 . 1 17 17 GLN CB C 13 29.396 0.01 . . . . . . . 332 GLN CB . 50314 1 76 . 1 . 1 17 17 GLN N N 15 124.223 0.01 . . . . . . . 332 GLN N . 50314 1 77 . 1 . 1 18 18 GLN H H 1 8.379 0.00 . . . . . . . 333 GLN H . 50314 1 78 . 1 . 1 18 18 GLN C C 13 173.756 0.00 . . . . . . . 333 GLN C . 50314 1 79 . 1 . 1 18 18 GLN CA C 13 53.637 0.00 . . . . . . . 333 GLN CA . 50314 1 80 . 1 . 1 18 18 GLN CB C 13 28.702 0.00 . . . . . . . 333 GLN CB . 50314 1 81 . 1 . 1 18 18 GLN N N 15 123.360 0.01 . . . . . . . 333 GLN N . 50314 1 82 . 1 . 1 19 19 PRO C C 13 176.630 0.01 . . . . . . . 334 PRO C . 50314 1 83 . 1 . 1 19 19 PRO CA C 13 63.006 0.00 . . . . . . . 334 PRO CA . 50314 1 84 . 1 . 1 19 19 PRO CB C 13 32.008 0.00 . . . . . . . 334 PRO CB . 50314 1 85 . 1 . 1 20 20 VAL H H 1 8.181 0.00 . . . . . . . 335 VAL H . 50314 1 86 . 1 . 1 20 20 VAL C C 13 176.235 0.02 . . . . . . . 335 VAL C . 50314 1 87 . 1 . 1 20 20 VAL CA C 13 62.315 0.01 . . . . . . . 335 VAL CA . 50314 1 88 . 1 . 1 20 20 VAL CB C 13 32.703 0.01 . . . . . . . 335 VAL CB . 50314 1 89 . 1 . 1 20 20 VAL N N 15 120.733 0.01 . . . . . . . 335 VAL N . 50314 1 90 . 1 . 1 21 21 MET H H 1 8.361 0.00 . . . . . . . 336 MET H . 50314 1 91 . 1 . 1 21 21 MET C C 13 175.753 0.01 . . . . . . . 336 MET C . 50314 1 92 . 1 . 1 21 21 MET CA C 13 55.259 0.01 . . . . . . . 336 MET CA . 50314 1 93 . 1 . 1 21 21 MET CB C 13 32.831 0.01 . . . . . . . 336 MET CB . 50314 1 94 . 1 . 1 21 21 MET N N 15 124.146 0.02 . . . . . . . 336 MET N . 50314 1 95 . 1 . 1 22 22 ASP H H 1 8.226 0.00 . . . . . . . 337 ASP H . 50314 1 96 . 1 . 1 22 22 ASP C C 13 176.300 0.02 . . . . . . . 337 ASP C . 50314 1 97 . 1 . 1 22 22 ASP CA C 13 54.294 0.00 . . . . . . . 337 ASP CA . 50314 1 98 . 1 . 1 22 22 ASP CB C 13 41.180 0.00 . . . . . . . 337 ASP CB . 50314 1 99 . 1 . 1 22 22 ASP N N 15 121.913 0.01 . . . . . . . 337 ASP N . 50314 1 100 . 1 . 1 23 23 ARG H H 1 8.138 0.00 . . . . . . . 338 ARG H . 50314 1 101 . 1 . 1 23 23 ARG C C 13 176.179 0.02 . . . . . . . 338 ARG C . 50314 1 102 . 1 . 1 23 23 ARG CA C 13 56.589 0.01 . . . . . . . 338 ARG CA . 50314 1 103 . 1 . 1 23 23 ARG CB C 13 30.259 0.02 . . . . . . . 338 ARG CB . 50314 1 104 . 1 . 1 23 23 ARG N N 15 120.872 0.01 . . . . . . . 338 ARG N . 50314 1 105 . 1 . 1 24 24 TYR H H 1 8.126 0.00 . . . . . . . 339 TYR H . 50314 1 106 . 1 . 1 24 24 TYR C C 13 175.850 0.01 . . . . . . . 339 TYR C . 50314 1 107 . 1 . 1 24 24 TYR CA C 13 58.036 0.02 . . . . . . . 339 TYR CA . 50314 1 108 . 1 . 1 24 24 TYR CB C 13 38.115 0.01 . . . . . . . 339 TYR CB . 50314 1 109 . 1 . 1 24 24 TYR N N 15 120.044 0.01 . . . . . . . 339 TYR N . 50314 1 110 . 1 . 1 25 25 GLN H H 1 7.997 0.00 . . . . . . . 340 GLN H . 50314 1 111 . 1 . 1 25 25 GLN C C 13 175.554 0.01 . . . . . . . 340 GLN C . 50314 1 112 . 1 . 1 25 25 GLN CA C 13 55.802 0.00 . . . . . . . 340 GLN CA . 50314 1 113 . 1 . 1 25 25 GLN CB C 13 29.230 0.01 . . . . . . . 340 GLN CB . 50314 1 114 . 1 . 1 25 25 GLN N N 15 121.073 0.01 . . . . . . . 340 GLN N . 50314 1 115 . 1 . 1 26 26 GLN H H 1 8.194 0.00 . . . . . . . 341 GLN H . 50314 1 116 . 1 . 1 26 26 GLN C C 13 175.769 0.00 . . . . . . . 341 GLN C . 50314 1 117 . 1 . 1 26 26 GLN CA C 13 56.322 0.00 . . . . . . . 341 GLN CA . 50314 1 118 . 1 . 1 26 26 GLN CB C 13 28.739 0.00 . . . . . . . 341 GLN CB . 50314 1 119 . 1 . 1 26 26 GLN N N 15 120.800 0.01 . . . . . . . 341 GLN N . 50314 1 120 . 1 . 1 27 27 HIS C C 13 175.440 0.02 . . . . . . . 342 HIS C . 50314 1 121 . 1 . 1 27 27 HIS CA C 13 55.850 0.00 . . . . . . . 342 HIS CA . 50314 1 122 . 1 . 1 27 27 HIS CB C 13 29.893 0.00 . . . . . . . 342 HIS CB . 50314 1 123 . 1 . 1 28 28 GLY H H 1 8.320 0.00 . . . . . . . 343 GLY H . 50314 1 124 . 1 . 1 28 28 GLY C C 13 173.796 0.01 . . . . . . . 343 GLY C . 50314 1 125 . 1 . 1 28 28 GLY CA C 13 45.293 0.01 . . . . . . . 343 GLY CA . 50314 1 126 . 1 . 1 28 28 GLY N N 15 110.000 0.01 . . . . . . . 343 GLY N . 50314 1 127 . 1 . 1 29 29 MET H H 1 8.118 0.00 . . . . . . . 344 MET H . 50314 1 128 . 1 . 1 29 29 MET C C 13 175.507 0.02 . . . . . . . 344 MET C . 50314 1 129 . 1 . 1 29 29 MET CA C 13 55.122 0.02 . . . . . . . 344 MET CA . 50314 1 130 . 1 . 1 29 29 MET CB C 13 33.006 0.01 . . . . . . . 344 MET CB . 50314 1 131 . 1 . 1 29 29 MET N N 15 119.600 0.00 . . . . . . . 344 MET N . 50314 1 132 . 1 . 1 30 30 ALA H H 1 8.227 0.00 . . . . . . . 345 ALA H . 50314 1 133 . 1 . 1 30 30 ALA C C 13 175.275 0.00 . . . . . . . 345 ALA C . 50314 1 134 . 1 . 1 30 30 ALA CA C 13 50.462 0.00 . . . . . . . 345 ALA CA . 50314 1 135 . 1 . 1 30 30 ALA CB C 13 17.978 0.00 . . . . . . . 345 ALA CB . 50314 1 136 . 1 . 1 30 30 ALA N N 15 126.624 0.01 . . . . . . . 345 ALA N . 50314 1 137 . 1 . 1 31 31 PRO C C 13 176.803 0.01 . . . . . . . 346 PRO C . 50314 1 138 . 1 . 1 31 31 PRO CA C 13 62.819 0.00 . . . . . . . 346 PRO CA . 50314 1 139 . 1 . 1 31 31 PRO CB C 13 31.922 0.02 . . . . . . . 346 PRO CB . 50314 1 140 . 1 . 1 32 32 LEU H H 1 8.308 0.00 . . . . . . . 347 LEU H . 50314 1 141 . 1 . 1 32 32 LEU C C 13 177.647 0.01 . . . . . . . 347 LEU C . 50314 1 142 . 1 . 1 32 32 LEU CA C 13 55.222 0.02 . . . . . . . 347 LEU CA . 50314 1 143 . 1 . 1 32 32 LEU CB C 13 42.102 0.01 . . . . . . . 347 LEU CB . 50314 1 144 . 1 . 1 32 32 LEU N N 15 122.189 0.01 . . . . . . . 347 LEU N . 50314 1 145 . 1 . 1 33 33 THR H H 1 8.015 0.00 . . . . . . . 348 THR H . 50314 1 146 . 1 . 1 33 33 THR C C 13 174.330 0.01 . . . . . . . 348 THR C . 50314 1 147 . 1 . 1 33 33 THR CA C 13 61.492 0.01 . . . . . . . 348 THR CA . 50314 1 148 . 1 . 1 33 33 THR CB C 13 69.580 0.00 . . . . . . . 348 THR CB . 50314 1 149 . 1 . 1 33 33 THR N N 15 114.466 0.01 . . . . . . . 348 THR N . 50314 1 150 . 1 . 1 34 34 GLN H H 1 8.334 0.00 . . . . . . . 349 GLN H . 50314 1 151 . 1 . 1 34 34 GLN C C 13 175.718 0.02 . . . . . . . 349 GLN C . 50314 1 152 . 1 . 1 34 34 GLN CA C 13 55.792 0.01 . . . . . . . 349 GLN CA . 50314 1 153 . 1 . 1 34 34 GLN CB C 13 29.426 0.02 . . . . . . . 349 GLN CB . 50314 1 154 . 1 . 1 34 34 GLN N N 15 122.134 0.00 . . . . . . . 349 GLN N . 50314 1 155 . 1 . 1 35 35 GLU H H 1 8.377 0.00 . . . . . . . 350 GLU H . 50314 1 156 . 1 . 1 35 35 GLU C C 13 176.206 0.00 . . . . . . . 350 GLU C . 50314 1 157 . 1 . 1 35 35 GLU CA C 13 56.597 0.01 . . . . . . . 350 GLU CA . 50314 1 158 . 1 . 1 35 35 GLU CB C 13 30.160 0.01 . . . . . . . 350 GLU CB . 50314 1 159 . 1 . 1 35 35 GLU N N 15 122.194 0.01 . . . . . . . 350 GLU N . 50314 1 160 . 1 . 1 36 36 GLN H H 1 8.335 0.00 . . . . . . . 351 GLN H . 50314 1 161 . 1 . 1 36 36 GLN C C 13 175.481 0.00 . . . . . . . 351 GLN C . 50314 1 162 . 1 . 1 36 36 GLN CA C 13 55.433 0.01 . . . . . . . 351 GLN CA . 50314 1 163 . 1 . 1 36 36 GLN CB C 13 29.389 0.01 . . . . . . . 351 GLN CB . 50314 1 164 . 1 . 1 36 36 GLN N N 15 121.759 0.01 . . . . . . . 351 GLN N . 50314 1 165 . 1 . 1 37 37 LYS H H 1 8.262 0.00 . . . . . . . 352 LYS H . 50314 1 166 . 1 . 1 37 37 LYS C C 13 174.192 0.00 . . . . . . . 352 LYS C . 50314 1 167 . 1 . 1 37 37 LYS CA C 13 54.143 0.00 . . . . . . . 352 LYS CA . 50314 1 168 . 1 . 1 37 37 LYS CB C 13 32.278 0.00 . . . . . . . 352 LYS CB . 50314 1 169 . 1 . 1 37 37 LYS N N 15 124.168 0.01 . . . . . . . 352 LYS N . 50314 1 170 . 1 . 1 38 38 PRO C C 13 176.724 0.01 . . . . . . . 353 PRO C . 50314 1 171 . 1 . 1 38 38 PRO CA C 13 62.838 0.00 . . . . . . . 353 PRO CA . 50314 1 172 . 1 . 1 38 38 PRO CB C 13 31.940 0.00 . . . . . . . 353 PRO CB . 50314 1 173 . 1 . 1 39 39 VAL H H 1 8.163 0.00 . . . . . . . 354 VAL H . 50314 1 174 . 1 . 1 39 39 VAL C C 13 175.768 0.01 . . . . . . . 354 VAL C . 50314 1 175 . 1 . 1 39 39 VAL CA C 13 62.009 0.01 . . . . . . . 354 VAL CA . 50314 1 176 . 1 . 1 39 39 VAL CB C 13 32.669 0.01 . . . . . . . 354 VAL CB . 50314 1 177 . 1 . 1 39 39 VAL N N 15 120.885 0.01 . . . . . . . 354 VAL N . 50314 1 178 . 1 . 1 40 40 ALA H H 1 8.268 0.00 . . . . . . . 355 ALA H . 50314 1 179 . 1 . 1 40 40 ALA C C 13 177.200 0.01 . . . . . . . 355 ALA C . 50314 1 180 . 1 . 1 40 40 ALA CA C 13 52.120 0.01 . . . . . . . 355 ALA CA . 50314 1 181 . 1 . 1 40 40 ALA CB C 13 19.214 0.01 . . . . . . . 355 ALA CB . 50314 1 182 . 1 . 1 40 40 ALA N N 15 128.193 0.01 . . . . . . . 355 ALA N . 50314 1 183 . 1 . 1 41 41 LYS H H 1 8.202 0.00 . . . . . . . 356 LYS H . 50314 1 184 . 1 . 1 41 41 LYS C C 13 176.216 0.00 . . . . . . . 356 LYS C . 50314 1 185 . 1 . 1 41 41 LYS CA C 13 56.030 0.02 . . . . . . . 356 LYS CA . 50314 1 186 . 1 . 1 41 41 LYS CB C 13 33.092 0.02 . . . . . . . 356 LYS CB . 50314 1 187 . 1 . 1 41 41 LYS N N 15 121.585 0.01 . . . . . . . 356 LYS N . 50314 1 188 . 1 . 1 42 42 VAL H H 1 8.162 0.00 . . . . . . . 357 VAL H . 50314 1 189 . 1 . 1 42 42 VAL C C 13 175.861 0.01 . . . . . . . 357 VAL C . 50314 1 190 . 1 . 1 42 42 VAL CA C 13 62.209 0.01 . . . . . . . 357 VAL CA . 50314 1 191 . 1 . 1 42 42 VAL CB C 13 32.636 0.02 . . . . . . . 357 VAL CB . 50314 1 192 . 1 . 1 42 42 VAL N N 15 122.787 0.01 . . . . . . . 357 VAL N . 50314 1 193 . 1 . 1 43 43 VAL H H 1 8.216 0.00 . . . . . . . 358 VAL H . 50314 1 194 . 1 . 1 43 43 VAL C C 13 175.481 0.01 . . . . . . . 358 VAL C . 50314 1 195 . 1 . 1 43 43 VAL CA C 13 61.987 0.01 . . . . . . . 358 VAL CA . 50314 1 196 . 1 . 1 43 43 VAL CB C 13 32.853 0.03 . . . . . . . 358 VAL CB . 50314 1 197 . 1 . 1 43 43 VAL N N 15 124.591 0.01 . . . . . . . 358 VAL N . 50314 1 198 . 1 . 1 44 44 ASN H H 1 8.447 0.00 . . . . . . . 359 ASN H . 50314 1 199 . 1 . 1 44 44 ASN C C 13 174.675 0.01 . . . . . . . 359 ASN C . 50314 1 200 . 1 . 1 44 44 ASN CA C 13 52.953 0.02 . . . . . . . 359 ASN CA . 50314 1 201 . 1 . 1 44 44 ASN CB C 13 38.962 0.01 . . . . . . . 359 ASN CB . 50314 1 202 . 1 . 1 44 44 ASN N N 15 122.922 0.01 . . . . . . . 359 ASN N . 50314 1 203 . 1 . 1 45 45 ASP H H 1 8.296 0.00 . . . . . . . 360 ASP H . 50314 1 204 . 1 . 1 45 45 ASP C C 13 175.797 0.01 . . . . . . . 360 ASP C . 50314 1 205 . 1 . 1 45 45 ASP CA C 13 54.318 0.01 . . . . . . . 360 ASP CA . 50314 1 206 . 1 . 1 45 45 ASP CB C 13 40.941 0.01 . . . . . . . 360 ASP CB . 50314 1 207 . 1 . 1 45 45 ASP N N 15 121.515 0.02 . . . . . . . 360 ASP N . 50314 1 208 . 1 . 1 46 46 ASN H H 1 8.264 0.00 . . . . . . . 361 ASN H . 50314 1 209 . 1 . 1 46 46 ASN C C 13 174.473 0.01 . . . . . . . 361 ASN C . 50314 1 210 . 1 . 1 46 46 ASN CA C 13 52.950 0.01 . . . . . . . 361 ASN CA . 50314 1 211 . 1 . 1 46 46 ASN CB C 13 38.804 0.01 . . . . . . . 361 ASN CB . 50314 1 212 . 1 . 1 46 46 ASN N N 15 118.466 0.01 . . . . . . . 361 ASN N . 50314 1 213 . 1 . 1 47 47 ALA H H 1 8.013 0.00 . . . . . . . 362 ALA H . 50314 1 214 . 1 . 1 47 47 ALA C C 13 175.299 0.00 . . . . . . . 362 ALA C . 50314 1 215 . 1 . 1 47 47 ALA CA C 13 50.661 0.00 . . . . . . . 362 ALA CA . 50314 1 216 . 1 . 1 47 47 ALA CB C 13 17.996 0.00 . . . . . . . 362 ALA CB . 50314 1 217 . 1 . 1 47 47 ALA N N 15 125.066 0.01 . . . . . . . 362 ALA N . 50314 1 218 . 1 . 1 48 48 PRO C C 13 176.987 0.00 . . . . . . . 363 PRO C . 50314 1 219 . 1 . 1 48 48 PRO CA C 13 63.050 0.01 . . . . . . . 363 PRO CA . 50314 1 220 . 1 . 1 48 48 PRO CB C 13 31.873 0.01 . . . . . . . 363 PRO CB . 50314 1 221 . 1 . 1 49 49 GLN H H 1 8.483 0.00 . . . . . . . 364 GLN H . 50314 1 222 . 1 . 1 49 49 GLN C C 13 176.151 0.00 . . . . . . . 364 GLN C . 50314 1 223 . 1 . 1 49 49 GLN CA C 13 55.698 0.00 . . . . . . . 364 GLN CA . 50314 1 224 . 1 . 1 49 49 GLN CB C 13 29.318 0.02 . . . . . . . 364 GLN CB . 50314 1 225 . 1 . 1 49 49 GLN N N 15 120.648 0.01 . . . . . . . 364 GLN N . 50314 1 226 . 1 . 1 50 50 THR H H 1 8.061 0.00 . . . . . . . 365 THR H . 50314 1 227 . 1 . 1 50 50 THR C C 13 174.014 0.01 . . . . . . . 365 THR C . 50314 1 228 . 1 . 1 50 50 THR CA C 13 61.721 0.02 . . . . . . . 365 THR CA . 50314 1 229 . 1 . 1 50 50 THR CB C 13 69.793 0.01 . . . . . . . 365 THR CB . 50314 1 230 . 1 . 1 50 50 THR N N 15 115.411 0.01 . . . . . . . 365 THR N . 50314 1 231 . 1 . 1 51 51 ALA H H 1 8.243 0.00 . . . . . . . 366 ALA H . 50314 1 232 . 1 . 1 51 51 ALA C C 13 177.164 0.01 . . . . . . . 366 ALA C . 50314 1 233 . 1 . 1 51 51 ALA CA C 13 52.201 0.05 . . . . . . . 366 ALA CA . 50314 1 234 . 1 . 1 51 51 ALA CB C 13 19.184 0.01 . . . . . . . 366 ALA CB . 50314 1 235 . 1 . 1 51 51 ALA N N 15 126.660 0.01 . . . . . . . 366 ALA N . 50314 1 236 . 1 . 1 52 52 LYS H H 1 8.167 0.00 . . . . . . . 367 LYS H . 50314 1 237 . 1 . 1 52 52 LYS C C 13 176.227 0.01 . . . . . . . 367 LYS C . 50314 1 238 . 1 . 1 52 52 LYS CA C 13 55.803 0.01 . . . . . . . 367 LYS CA . 50314 1 239 . 1 . 1 52 52 LYS CB C 13 33.153 0.00 . . . . . . . 367 LYS CB . 50314 1 240 . 1 . 1 52 52 LYS N N 15 121.114 0.01 . . . . . . . 367 LYS N . 50314 1 241 . 1 . 1 53 53 GLU H H 1 8.399 0.00 . . . . . . . 368 GLU H . 50314 1 242 . 1 . 1 53 53 GLU C C 13 174.443 0.00 . . . . . . . 368 GLU C . 50314 1 243 . 1 . 1 53 53 GLU CA C 13 54.448 0.00 . . . . . . . 368 GLU CA . 50314 1 244 . 1 . 1 53 53 GLU CB C 13 29.328 0.00 . . . . . . . 368 GLU CB . 50314 1 245 . 1 . 1 53 53 GLU N N 15 124.091 0.01 . . . . . . . 368 GLU N . 50314 1 246 . 1 . 1 54 54 PRO C C 13 176.198 0.00 . . . . . . . 369 PRO C . 50314 1 247 . 1 . 1 54 54 PRO CA C 13 63.061 0.00 . . . . . . . 369 PRO CA . 50314 1 248 . 1 . 1 54 54 PRO CB C 13 31.919 0.01 . . . . . . . 369 PRO CB . 50314 1 249 . 1 . 1 55 55 ASP H H 1 8.237 0.00 . . . . . . . 370 ASP H . 50314 1 250 . 1 . 1 55 55 ASP C C 13 176.091 0.01 . . . . . . . 370 ASP C . 50314 1 251 . 1 . 1 55 55 ASP CA C 13 54.100 0.01 . . . . . . . 370 ASP CA . 50314 1 252 . 1 . 1 55 55 ASP CB C 13 41.023 0.01 . . . . . . . 370 ASP CB . 50314 1 253 . 1 . 1 55 55 ASP N N 15 119.886 0.01 . . . . . . . 370 ASP N . 50314 1 254 . 1 . 1 56 56 TYR H H 1 7.888 0.00 . . . . . . . 371 TYR H . 50314 1 255 . 1 . 1 56 56 TYR C C 13 175.451 0.00 . . . . . . . 371 TYR C . 50314 1 256 . 1 . 1 56 56 TYR CA C 13 58.011 0.01 . . . . . . . 371 TYR CA . 50314 1 257 . 1 . 1 56 56 TYR CB C 13 38.317 0.01 . . . . . . . 371 TYR CB . 50314 1 258 . 1 . 1 56 56 TYR N N 15 119.785 0.01 . . . . . . . 371 TYR N . 50314 1 259 . 1 . 1 57 57 LEU H H 1 7.896 0.00 . . . . . . . 372 LEU H . 50314 1 260 . 1 . 1 57 57 LEU C C 13 176.441 0.01 . . . . . . . 372 LEU C . 50314 1 261 . 1 . 1 57 57 LEU CA C 13 55.040 0.01 . . . . . . . 372 LEU CA . 50314 1 262 . 1 . 1 57 57 LEU CB C 13 42.315 0.02 . . . . . . . 372 LEU CB . 50314 1 263 . 1 . 1 57 57 LEU N N 15 122.778 0.00 . . . . . . . 372 LEU N . 50314 1 264 . 1 . 1 58 58 ASP H H 1 8.071 0.00 . . . . . . . 373 ASP H . 50314 1 265 . 1 . 1 58 58 ASP C C 13 175.433 0.01 . . . . . . . 373 ASP C . 50314 1 266 . 1 . 1 58 58 ASP CA C 13 53.861 0.01 . . . . . . . 373 ASP CA . 50314 1 267 . 1 . 1 58 58 ASP CB C 13 40.801 0.01 . . . . . . . 373 ASP CB . 50314 1 268 . 1 . 1 58 58 ASP N N 15 120.900 0.01 . . . . . . . 373 ASP N . 50314 1 269 . 1 . 1 59 59 ILE H H 1 7.803 0.00 . . . . . . . 374 ILE H . 50314 1 270 . 1 . 1 59 59 ILE C C 13 174.319 0.00 . . . . . . . 374 ILE C . 50314 1 271 . 1 . 1 59 59 ILE CA C 13 59.095 0.00 . . . . . . . 374 ILE CA . 50314 1 272 . 1 . 1 59 59 ILE CB C 13 38.461 0.00 . . . . . . . 374 ILE CB . 50314 1 273 . 1 . 1 59 59 ILE N N 15 122.272 0.01 . . . . . . . 374 ILE N . 50314 1 274 . 1 . 1 60 60 PRO C C 13 177.089 0.00 . . . . . . . 375 PRO C . 50314 1 275 . 1 . 1 60 60 PRO CA C 13 63.330 0.01 . . . . . . . 375 PRO CA . 50314 1 276 . 1 . 1 60 60 PRO CB C 13 32.059 0.01 . . . . . . . 375 PRO CB . 50314 1 277 . 1 . 1 61 61 ALA H H 1 8.286 0.00 . . . . . . . 376 ALA H . 50314 1 278 . 1 . 1 61 61 ALA C C 13 178.466 0.00 . . . . . . . 376 ALA C . 50314 1 279 . 1 . 1 61 61 ALA CA C 13 53.771 0.02 . . . . . . . 376 ALA CA . 50314 1 280 . 1 . 1 61 61 ALA CB C 13 18.668 0.00 . . . . . . . 376 ALA CB . 50314 1 281 . 1 . 1 61 61 ALA N N 15 123.320 0.01 . . . . . . . 376 ALA N . 50314 1 282 . 1 . 1 62 62 PHE H H 1 7.818 0.00 . . . . . . . 377 PHE H . 50314 1 283 . 1 . 1 62 62 PHE C C 13 175.657 0.01 . . . . . . . 377 PHE C . 50314 1 284 . 1 . 1 62 62 PHE CA C 13 58.019 0.01 . . . . . . . 377 PHE CA . 50314 1 285 . 1 . 1 62 62 PHE CB C 13 38.617 0.01 . . . . . . . 377 PHE CB . 50314 1 286 . 1 . 1 62 62 PHE N N 15 116.158 0.01 . . . . . . . 377 PHE N . 50314 1 287 . 1 . 1 63 63 LEU H H 1 7.711 0.00 . . . . . . . 378 LEU H . 50314 1 288 . 1 . 1 63 63 LEU C C 13 176.976 0.01 . . . . . . . 378 LEU C . 50314 1 289 . 1 . 1 63 63 LEU CA C 13 54.814 0.02 . . . . . . . 378 LEU CA . 50314 1 290 . 1 . 1 63 63 LEU CB C 13 42.257 0.01 . . . . . . . 378 LEU CB . 50314 1 291 . 1 . 1 63 63 LEU N N 15 122.101 0.01 . . . . . . . 378 LEU N . 50314 1 292 . 1 . 1 64 64 ARG H H 1 7.801 0.00 . . . . . . . 379 ARG H . 50314 1 293 . 1 . 1 64 64 ARG C C 13 175.989 0.01 . . . . . . . 379 ARG C . 50314 1 294 . 1 . 1 64 64 ARG CA C 13 56.246 0.00 . . . . . . . 379 ARG CA . 50314 1 295 . 1 . 1 64 64 ARG CB C 13 30.627 0.01 . . . . . . . 379 ARG CB . 50314 1 296 . 1 . 1 64 64 ARG N N 15 121.341 0.01 . . . . . . . 379 ARG N . 50314 1 297 . 1 . 1 65 65 LYS H H 1 8.148 0.00 . . . . . . . 380 LYS H . 50314 1 298 . 1 . 1 65 65 LYS C C 13 176.283 0.01 . . . . . . . 380 LYS C . 50314 1 299 . 1 . 1 65 65 LYS CA C 13 56.136 0.08 . . . . . . . 380 LYS CA . 50314 1 300 . 1 . 1 65 65 LYS CB C 13 32.894 0.02 . . . . . . . 380 LYS CB . 50314 1 301 . 1 . 1 65 65 LYS N N 15 122.482 0.01 . . . . . . . 380 LYS N . 50314 1 302 . 1 . 1 66 66 GLN H H 1 8.307 0.00 . . . . . . . 381 GLN H . 50314 1 303 . 1 . 1 66 66 GLN C C 13 175.197 0.00 . . . . . . . 381 GLN C . 50314 1 304 . 1 . 1 66 66 GLN CA C 13 55.647 0.00 . . . . . . . 381 GLN CA . 50314 1 305 . 1 . 1 66 66 GLN CB C 13 29.414 0.01 . . . . . . . 381 GLN CB . 50314 1 306 . 1 . 1 66 66 GLN N N 15 122.186 0.01 . . . . . . . 381 GLN N . 50314 1 307 . 1 . 1 67 67 ALA H H 1 8.240 0.00 . . . . . . . 382 ALA H . 50314 1 308 . 1 . 1 67 67 ALA C C 13 176.263 0.00 . . . . . . . 382 ALA C . 50314 1 309 . 1 . 1 67 67 ALA CA C 13 52.268 0.00 . . . . . . . 382 ALA CA . 50314 1 310 . 1 . 1 67 67 ALA CB C 13 19.378 0.01 . . . . . . . 382 ALA CB . 50314 1 311 . 1 . 1 67 67 ALA N N 15 125.974 0.01 . . . . . . . 382 ALA N . 50314 1 312 . 1 . 1 68 68 ASP H H 1 7.861 0.00 . . . . . . . 383 ASP H . 50314 1 313 . 1 . 1 68 68 ASP C C 13 174.332 0.00 . . . . . . . 383 ASP C . 50314 1 314 . 1 . 1 68 68 ASP CA C 13 55.817 0.00 . . . . . . . 383 ASP CA . 50314 1 315 . 1 . 1 68 68 ASP CB C 13 42.060 0.00 . . . . . . . 383 ASP CB . 50314 1 316 . 1 . 1 68 68 ASP N N 15 125.487 0.01 . . . . . . . 383 ASP N . 50314 1 stop_ save_