data_27629 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27629 _Entry.Title ; 1HN,15N,13CO,13CA and 13CB Chemical Shift Assignments for the FBP21(326-276) Fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-26 _Entry.Accession_date 2018-09-26 _Entry.Last_release_date 2018-09-26 _Entry.Original_release_date 2018-09-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Jana Sticht . . . . 27629 2 Christian Freund . . . . 27629 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of Protein Biochemistry, Freie Universit t Berlin' . 27629 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27629 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 138 27629 '15N chemical shifts' 47 27629 '1H chemical shifts' 47 27629 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 . . 2019-02-15 2018-09-26 update BMRB 'update entry citation' 27629 1 . . 2018-10-09 2018-09-26 original author 'original release' 27629 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27630 'FBP21(326-276) Fragment in Complex with the Brr2-CSec63 domain' 27629 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27629 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30558886 _Citation.Full_citation . _Citation.Title ; FBP21's C-Terminal Domain Remains Dynamic When Wrapped around the c-Sec63 Unit of Brr2 Helicase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 116 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 406 _Citation.Page_last 418 _Citation.Year 2019 _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 Jana Sticht . . . . 27629 1 2 Miriam Bertazzon . . . . 27629 1 3 Lisa Henning . M. . . 27629 1 4 Jan Licha . R. . . 27629 1 5 Esam Abualrous . T. . . 27629 1 6 Christian Freund . . . . 27629 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27629 _Assembly.ID 1 _Assembly.Name FBP21(326-376) _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 FBP21(326-376) 1 $FBP21(326-376) A . yes native no no . . . 27629 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FBP21(326-376) _Entity.Sf_category entity _Entity.Sf_framecode FBP21(326-376) _Entity.Entry_ID 27629 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FBP21(326-376) _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 ; GAMEADGGGEPKVVFKEKTV TSLGVMADGVAPVFKKRRTE NGKSRNLRQRGDDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 323,G _Entity.Polymer_author_seq_details 'Residues 1-3 (GAM) derive from cloning, residues 4-54 represent the last C-terminal residues of FBP21.' _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment FBP21(326-376) _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 1 323 GLY . 27629 1 2 324 ALA . 27629 1 3 325 MET . 27629 1 4 326 GLU . 27629 1 5 327 ALA . 27629 1 6 328 ASP . 27629 1 7 329 GLY . 27629 1 8 330 GLY . 27629 1 9 331 GLY . 27629 1 10 332 GLU . 27629 1 11 333 PRO . 27629 1 12 334 LYS . 27629 1 13 335 VAL . 27629 1 14 336 VAL . 27629 1 15 337 PHE . 27629 1 16 338 LYS . 27629 1 17 339 GLU . 27629 1 18 340 LYS . 27629 1 19 341 THR . 27629 1 20 342 VAL . 27629 1 21 343 THR . 27629 1 22 344 SER . 27629 1 23 345 LEU . 27629 1 24 346 GLY . 27629 1 25 347 VAL . 27629 1 26 348 MET . 27629 1 27 349 ALA . 27629 1 28 350 ASP . 27629 1 29 351 GLY . 27629 1 30 352 VAL . 27629 1 31 353 ALA . 27629 1 32 354 PRO . 27629 1 33 355 VAL . 27629 1 34 356 PHE . 27629 1 35 357 LYS . 27629 1 36 358 LYS . 27629 1 37 359 ARG . 27629 1 38 360 ARG . 27629 1 39 361 THR . 27629 1 40 362 GLU . 27629 1 41 363 ASN . 27629 1 42 364 GLY . 27629 1 43 365 LYS . 27629 1 44 366 SER . 27629 1 45 367 ARG . 27629 1 46 368 ASN . 27629 1 47 369 LEU . 27629 1 48 370 ARG . 27629 1 49 371 GLN . 27629 1 50 372 ARG . 27629 1 51 373 GLY . 27629 1 52 374 ASP . 27629 1 53 375 ASP . 27629 1 54 376 GLN . 27629 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 27629 1 . ALA 2 2 27629 1 . MET 3 3 27629 1 . GLU 4 4 27629 1 . ALA 5 5 27629 1 . ASP 6 6 27629 1 . GLY 7 7 27629 1 . GLY 8 8 27629 1 . GLY 9 9 27629 1 . GLU 10 10 27629 1 . PRO 11 11 27629 1 . LYS 12 12 27629 1 . VAL 13 13 27629 1 . VAL 14 14 27629 1 . PHE 15 15 27629 1 . LYS 16 16 27629 1 . GLU 17 17 27629 1 . LYS 18 18 27629 1 . THR 19 19 27629 1 . VAL 20 20 27629 1 . THR 21 21 27629 1 . SER 22 22 27629 1 . LEU 23 23 27629 1 . GLY 24 24 27629 1 . VAL 25 25 27629 1 . MET 26 26 27629 1 . ALA 27 27 27629 1 . ASP 28 28 27629 1 . GLY 29 29 27629 1 . VAL 30 30 27629 1 . ALA 31 31 27629 1 . PRO 32 32 27629 1 . VAL 33 33 27629 1 . PHE 34 34 27629 1 . LYS 35 35 27629 1 . LYS 36 36 27629 1 . ARG 37 37 27629 1 . ARG 38 38 27629 1 . THR 39 39 27629 1 . GLU 40 40 27629 1 . ASN 41 41 27629 1 . GLY 42 42 27629 1 . LYS 43 43 27629 1 . SER 44 44 27629 1 . ARG 45 45 27629 1 . ASN 46 46 27629 1 . LEU 47 47 27629 1 . ARG 48 48 27629 1 . GLN 49 49 27629 1 . ARG 50 50 27629 1 . GLY 51 51 27629 1 . ASP 52 52 27629 1 . ASP 53 53 27629 1 . GLN 54 54 27629 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27629 _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 $FBP21(326-376) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27629 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27629 _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 $FBP21(326-376) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM11 . . . 27629 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27629 _Sample.ID 1 _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 FBP21(326-376) '[U-13C; U-15N; U-2H]' . . 1 $FBP21(326-376) . . 140 . . uM . . . . 27629 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27629 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27629 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 27629 _Sample_condition_list.ID 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' 0.1 . M 27629 1 pH 6.5 . pH 27629 1 pressure 1 . atm 27629 1 temperature 300 . K 27629 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27629 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27629 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27629 1 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 27629 _Software.ID 2 _Software.Type . _Software.Name CcpNMR_Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27629 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27629 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27629 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27629 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'triple resonance cryo-probe' . . 27629 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27629 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27629 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27629 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27629 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27629 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27629 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27629 _Chem_shift_reference.ID 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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 27629 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 27629 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 27629 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27629 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 27629 1 2 '3D HNCA' . . . 27629 1 3 '3D HNCO' . . . 27629 1 4 '3D HNCACB' . . . 27629 1 5 '3D HN(CA)CO' . . . 27629 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 ALA C C 13 177.987 0.050 . 1 . . . . . 324 ALA C . 27629 1 2 . 1 1 2 2 ALA CA C 13 52.290 0.005 . 1 . . . . . 324 ALA CA . 27629 1 3 . 1 1 3 3 MET H H 1 8.514 0.003 . 1 . . . . . 325 MET H . 27629 1 4 . 1 1 3 3 MET C C 13 176.426 0.014 . 1 . . . . . 325 MET C . 27629 1 5 . 1 1 3 3 MET CA C 13 55.254 0.076 . 1 . . . . . 325 MET CA . 27629 1 6 . 1 1 3 3 MET N N 15 119.164 0.025 . 1 . . . . . 325 MET N . 27629 1 7 . 1 1 4 4 GLU H H 1 8.443 0.002 . 1 . . . . . 326 GLU H . 27629 1 8 . 1 1 4 4 GLU C C 13 176.447 0.010 . 1 . . . . . 326 GLU C . 27629 1 9 . 1 1 4 4 GLU CA C 13 56.225 0.035 . 1 . . . . . 326 GLU CA . 27629 1 10 . 1 1 4 4 GLU CB C 13 29.533 0.039 . 1 . . . . . 326 GLU CB . 27629 1 11 . 1 1 4 4 GLU N N 15 122.143 0.019 . 1 . . . . . 326 GLU N . 27629 1 12 . 1 1 5 5 ALA H H 1 8.350 0.001 . 1 . . . . . 327 ALA H . 27629 1 13 . 1 1 5 5 ALA C C 13 177.615 0.003 . 1 . . . . . 327 ALA C . 27629 1 14 . 1 1 5 5 ALA CA C 13 52.182 0.065 . 1 . . . . . 327 ALA CA . 27629 1 15 . 1 1 5 5 ALA CB C 13 18.679 0.039 . 1 . . . . . 327 ALA CB . 27629 1 16 . 1 1 5 5 ALA N N 15 124.646 0.025 . 1 . . . . . 327 ALA N . 27629 1 17 . 1 1 6 6 ASP H H 1 8.297 0.004 . 1 . . . . . 328 ASP H . 27629 1 18 . 1 1 6 6 ASP C C 13 176.879 0.011 . 1 . . . . . 328 ASP C . 27629 1 19 . 1 1 6 6 ASP CA C 13 54.184 0.104 . 1 . . . . . 328 ASP CA . 27629 1 20 . 1 1 6 6 ASP CB C 13 40.505 0.005 . 1 . . . . . 328 ASP CB . 27629 1 21 . 1 1 6 6 ASP N N 15 119.407 0.042 . 1 . . . . . 328 ASP N . 27629 1 22 . 1 1 7 7 GLY H H 1 8.253 0.002 . 1 . . . . . 329 GLY H . 27629 1 23 . 1 1 7 7 GLY C C 13 175.155 0.000 . 1 . . . . . 329 GLY C . 27629 1 24 . 1 1 7 7 GLY CA C 13 44.903 0.047 . 1 . . . . . 329 GLY CA . 27629 1 25 . 1 1 7 7 GLY N N 15 108.800 0.019 . 1 . . . . . 329 GLY N . 27629 1 26 . 1 1 8 8 GLY H H 1 8.368 0.002 . 1 . . . . . 330 GLY H . 27629 1 27 . 1 1 8 8 GLY C C 13 174.733 0.025 . 1 . . . . . 330 GLY C . 27629 1 28 . 1 1 8 8 GLY CA C 13 44.987 0.066 . 1 . . . . . 330 GLY CA . 27629 1 29 . 1 1 8 8 GLY N N 15 108.891 0.012 . 1 . . . . . 330 GLY N . 27629 1 30 . 1 1 9 9 GLY H H 1 8.258 0.002 . 1 . . . . . 331 GLY H . 27629 1 31 . 1 1 9 9 GLY C C 13 173.910 0.034 . 1 . . . . . 331 GLY C . 27629 1 32 . 1 1 9 9 GLY CA C 13 44.448 0.066 . 1 . . . . . 331 GLY CA . 27629 1 33 . 1 1 9 9 GLY N N 15 108.712 0.051 . 1 . . . . . 331 GLY N . 27629 1 34 . 1 1 10 10 GLU H H 1 8.288 0.003 . 1 . . . . . 332 GLU H . 27629 1 35 . 1 1 10 10 GLU C C 13 174.678 0.000 . 1 . . . . . 332 GLU C . 27629 1 36 . 1 1 10 10 GLU CA C 13 54.007 0.098 . 1 . . . . . 332 GLU CA . 27629 1 37 . 1 1 10 10 GLU CB C 13 28.780 0.000 . 1 . . . . . 332 GLU CB . 27629 1 38 . 1 1 10 10 GLU N N 15 121.900 0.019 . 1 . . . . . 332 GLU N . 27629 1 39 . 1 1 11 11 PRO C C 13 176.891 0.012 . 1 . . . . . 333 PRO C . 27629 1 40 . 1 1 11 11 PRO CA C 13 62.650 0.034 . 1 . . . . . 333 PRO CA . 27629 1 41 . 1 1 12 12 LYS H H 1 8.413 0.003 . 1 . . . . . 334 LYS H . 27629 1 42 . 1 1 12 12 LYS C C 13 176.578 0.019 . 1 . . . . . 334 LYS C . 27629 1 43 . 1 1 12 12 LYS CA C 13 55.711 0.093 . 1 . . . . . 334 LYS CA . 27629 1 44 . 1 1 12 12 LYS CB C 13 31.857 0.000 . 1 . . . . . 334 LYS CB . 27629 1 45 . 1 1 12 12 LYS N N 15 121.888 0.023 . 1 . . . . . 334 LYS N . 27629 1 46 . 1 1 13 13 VAL H H 1 8.134 0.003 . 1 . . . . . 335 VAL H . 27629 1 47 . 1 1 13 13 VAL C C 13 175.724 0.015 . 1 . . . . . 335 VAL C . 27629 1 48 . 1 1 13 13 VAL CA C 13 61.716 0.028 . 1 . . . . . 335 VAL CA . 27629 1 49 . 1 1 13 13 VAL CB C 13 31.938 0.000 . 1 . . . . . 335 VAL CB . 27629 1 50 . 1 1 13 13 VAL N N 15 122.122 0.047 . 1 . . . . . 335 VAL N . 27629 1 51 . 1 1 14 14 VAL H H 1 8.171 0.002 . 1 . . . . . 336 VAL H . 27629 1 52 . 1 1 14 14 VAL C C 13 175.649 0.007 . 1 . . . . . 336 VAL C . 27629 1 53 . 1 1 14 14 VAL CA C 13 61.404 0.015 . 1 . . . . . 336 VAL CA . 27629 1 54 . 1 1 14 14 VAL CB C 13 32.062 0.041 . 1 . . . . . 336 VAL CB . 27629 1 55 . 1 1 14 14 VAL N N 15 124.550 0.031 . 1 . . . . . 336 VAL N . 27629 1 56 . 1 1 15 15 PHE H H 1 8.397 0.002 . 1 . . . . . 337 PHE H . 27629 1 57 . 1 1 15 15 PHE C C 13 175.363 0.007 . 1 . . . . . 337 PHE C . 27629 1 58 . 1 1 15 15 PHE CA C 13 57.257 0.082 . 1 . . . . . 337 PHE CA . 27629 1 59 . 1 1 15 15 PHE CB C 13 38.828 0.009 . 1 . . . . . 337 PHE CB . 27629 1 60 . 1 1 15 15 PHE N N 15 125.084 0.037 . 1 . . . . . 337 PHE N . 27629 1 61 . 1 1 16 16 LYS H H 1 8.171 0.001 . 1 . . . . . 338 LYS H . 27629 1 62 . 1 1 16 16 LYS C C 13 175.863 0.011 . 1 . . . . . 338 LYS C . 27629 1 63 . 1 1 16 16 LYS CA C 13 55.573 0.074 . 1 . . . . . 338 LYS CA . 27629 1 64 . 1 1 16 16 LYS CB C 13 32.370 0.004 . 1 . . . . . 338 LYS CB . 27629 1 65 . 1 1 16 16 LYS N N 15 124.194 0.069 . 1 . . . . . 338 LYS N . 27629 1 66 . 1 1 17 17 GLU H H 1 8.375 0.002 . 1 . . . . . 339 GLU H . 27629 1 67 . 1 1 17 17 GLU C C 13 176.408 0.002 . 1 . . . . . 339 GLU C . 27629 1 68 . 1 1 17 17 GLU CA C 13 56.004 0.014 . 1 . . . . . 339 GLU CA . 27629 1 69 . 1 1 17 17 GLU CB C 13 29.449 0.035 . 1 . . . . . 339 GLU CB . 27629 1 70 . 1 1 17 17 GLU N N 15 122.483 0.017 . 1 . . . . . 339 GLU N . 27629 1 71 . 1 1 18 18 LYS H H 1 8.439 0.001 . 1 . . . . . 340 LYS H . 27629 1 72 . 1 1 18 18 LYS C C 13 176.682 0.047 . 1 . . . . . 340 LYS C . 27629 1 73 . 1 1 18 18 LYS CA C 13 55.943 0.049 . 1 . . . . . 340 LYS CA . 27629 1 74 . 1 1 18 18 LYS CB C 13 32.062 0.016 . 1 . . . . . 340 LYS CB . 27629 1 75 . 1 1 18 18 LYS N N 15 122.621 0.033 . 1 . . . . . 340 LYS N . 27629 1 76 . 1 1 19 19 THR H H 1 8.217 0.001 . 1 . . . . . 341 THR H . 27629 1 77 . 1 1 19 19 THR C C 13 174.503 0.027 . 1 . . . . . 341 THR C . 27629 1 78 . 1 1 19 19 THR CA C 13 61.534 0.079 . 1 . . . . . 341 THR CA . 27629 1 79 . 1 1 19 19 THR CB C 13 69.002 0.045 . 1 . . . . . 341 THR CB . 27629 1 80 . 1 1 19 19 THR N N 15 116.446 0.016 . 1 . . . . . 341 THR N . 27629 1 81 . 1 1 20 20 VAL H H 1 8.295 0.001 . 1 . . . . . 342 VAL H . 27629 1 82 . 1 1 20 20 VAL C C 13 176.393 0.009 . 1 . . . . . 342 VAL C . 27629 1 83 . 1 1 20 20 VAL CA C 13 61.783 0.036 . 1 . . . . . 342 VAL CA . 27629 1 84 . 1 1 20 20 VAL CB C 13 32.003 0.025 . 1 . . . . . 342 VAL CB . 27629 1 85 . 1 1 20 20 VAL N N 15 122.861 0.020 . 1 . . . . . 342 VAL N . 27629 1 86 . 1 1 21 21 THR H H 1 8.268 0.002 . 1 . . . . . 343 THR H . 27629 1 87 . 1 1 21 21 THR C C 13 174.646 0.037 . 1 . . . . . 343 THR C . 27629 1 88 . 1 1 21 21 THR CA C 13 61.524 0.078 . 1 . . . . . 343 THR CA . 27629 1 89 . 1 1 21 21 THR CB C 13 68.969 0.000 . 1 . . . . . 343 THR CB . 27629 1 90 . 1 1 21 21 THR N N 15 117.998 0.026 . 1 . . . . . 343 THR N . 27629 1 91 . 1 1 22 22 SER H H 1 8.321 0.002 . 1 . . . . . 344 SER H . 27629 1 92 . 1 1 22 22 SER C C 13 174.472 0.036 . 1 . . . . . 344 SER C . 27629 1 93 . 1 1 22 22 SER CA C 13 57.835 0.034 . 1 . . . . . 344 SER CA . 27629 1 94 . 1 1 22 22 SER CB C 13 63.137 0.000 . 1 . . . . . 344 SER CB . 27629 1 95 . 1 1 22 22 SER N N 15 118.164 0.055 . 1 . . . . . 344 SER N . 27629 1 96 . 1 1 23 23 LEU H H 1 8.294 0.002 . 1 . . . . . 345 LEU H . 27629 1 97 . 1 1 23 23 LEU C C 13 177.949 0.021 . 1 . . . . . 345 LEU C . 27629 1 98 . 1 1 23 23 LEU CA C 13 55.022 0.096 . 1 . . . . . 345 LEU CA . 27629 1 99 . 1 1 23 23 LEU CB C 13 41.322 0.021 . 1 . . . . . 345 LEU CB . 27629 1 100 . 1 1 23 23 LEU N N 15 123.928 0.034 . 1 . . . . . 345 LEU N . 27629 1 101 . 1 1 24 24 GLY H H 1 8.332 0.001 . 1 . . . . . 346 GLY H . 27629 1 102 . 1 1 24 24 GLY C C 13 174.033 0.025 . 1 . . . . . 346 GLY C . 27629 1 103 . 1 1 24 24 GLY CA C 13 44.846 0.061 . 1 . . . . . 346 GLY CA . 27629 1 104 . 1 1 24 24 GLY N N 15 109.248 0.020 . 1 . . . . . 346 GLY N . 27629 1 105 . 1 1 25 25 VAL H H 1 7.926 0.001 . 1 . . . . . 347 VAL H . 27629 1 106 . 1 1 25 25 VAL C C 13 176.357 0.006 . 1 . . . . . 347 VAL C . 27629 1 107 . 1 1 25 25 VAL CA C 13 61.775 0.032 . 1 . . . . . 347 VAL CA . 27629 1 108 . 1 1 25 25 VAL CB C 13 31.814 0.003 . 1 . . . . . 347 VAL CB . 27629 1 109 . 1 1 25 25 VAL N N 15 119.133 0.008 . 1 . . . . . 347 VAL N . 27629 1 110 . 1 1 26 26 MET H H 1 8.448 0.002 . 1 . . . . . 348 MET H . 27629 1 111 . 1 1 26 26 MET C C 13 176.039 0.014 . 1 . . . . . 348 MET C . 27629 1 112 . 1 1 26 26 MET CA C 13 54.788 0.029 . 1 . . . . . 348 MET CA . 27629 1 113 . 1 1 26 26 MET CB C 13 31.898 0.014 . 1 . . . . . 348 MET CB . 27629 1 114 . 1 1 26 26 MET N N 15 123.869 0.012 . 1 . . . . . 348 MET N . 27629 1 115 . 1 1 27 27 ALA H H 1 8.317 0.001 . 1 . . . . . 349 ALA H . 27629 1 116 . 1 1 27 27 ALA C C 13 177.379 0.012 . 1 . . . . . 349 ALA C . 27629 1 117 . 1 1 27 27 ALA CA C 13 52.200 0.088 . 1 . . . . . 349 ALA CA . 27629 1 118 . 1 1 27 27 ALA CB C 13 18.740 0.014 . 1 . . . . . 349 ALA CB . 27629 1 119 . 1 1 27 27 ALA N N 15 125.404 0.031 . 1 . . . . . 349 ALA N . 27629 1 120 . 1 1 28 28 ASP H H 1 8.294 0.002 . 1 . . . . . 350 ASP H . 27629 1 121 . 1 1 28 28 ASP C C 13 177.058 0.017 . 1 . . . . . 350 ASP C . 27629 1 122 . 1 1 28 28 ASP CA C 13 54.087 0.115 . 1 . . . . . 350 ASP CA . 27629 1 123 . 1 1 28 28 ASP CB C 13 40.589 0.013 . 1 . . . . . 350 ASP CB . 27629 1 124 . 1 1 28 28 ASP N N 15 119.365 0.025 . 1 . . . . . 350 ASP N . 27629 1 125 . 1 1 29 29 GLY H H 1 8.357 0.004 . 1 . . . . . 351 GLY H . 27629 1 126 . 1 1 29 29 GLY C C 13 174.017 0.022 . 1 . . . . . 351 GLY C . 27629 1 127 . 1 1 29 29 GLY CA C 13 45.073 0.108 . 1 . . . . . 351 GLY CA . 27629 1 128 . 1 1 29 29 GLY N N 15 109.576 0.047 . 1 . . . . . 351 GLY N . 27629 1 129 . 1 1 30 30 VAL H H 1 7.881 0.001 . 1 . . . . . 352 VAL H . 27629 1 130 . 1 1 30 30 VAL C C 13 175.735 0.020 . 1 . . . . . 352 VAL C . 27629 1 131 . 1 1 30 30 VAL CA C 13 61.531 0.025 . 1 . . . . . 352 VAL CA . 27629 1 132 . 1 1 30 30 VAL CB C 13 31.808 0.040 . 1 . . . . . 352 VAL CB . 27629 1 133 . 1 1 30 30 VAL N N 15 119.350 0.037 . 1 . . . . . 352 VAL N . 27629 1 134 . 1 1 31 31 ALA H H 1 8.360 0.001 . 1 . . . . . 353 ALA H . 27629 1 135 . 1 1 31 31 ALA C C 13 175.618 0.000 . 1 . . . . . 353 ALA C . 27629 1 136 . 1 1 31 31 ALA CA C 13 50.091 0.064 . 1 . . . . . 353 ALA CA . 27629 1 137 . 1 1 31 31 ALA CB C 13 17.603 0.000 . 1 . . . . . 353 ALA CB . 27629 1 138 . 1 1 31 31 ALA N N 15 128.963 0.026 . 1 . . . . . 353 ALA N . 27629 1 139 . 1 1 32 32 PRO C C 13 176.834 0.020 . 1 . . . . . 354 PRO C . 27629 1 140 . 1 1 32 32 PRO CA C 13 62.530 0.002 . 1 . . . . . 354 PRO CA . 27629 1 141 . 1 1 32 32 PRO CB C 13 31.643 0.000 . 1 . . . . . 354 PRO CB . 27629 1 142 . 1 1 33 33 VAL H H 1 8.042 0.001 . 1 . . . . . 355 VAL H . 27629 1 143 . 1 1 33 33 VAL C C 13 175.973 0.018 . 1 . . . . . 355 VAL C . 27629 1 144 . 1 1 33 33 VAL CA C 13 61.760 0.003 . 1 . . . . . 355 VAL CA . 27629 1 145 . 1 1 33 33 VAL CB C 13 31.788 0.004 . 1 . . . . . 355 VAL CB . 27629 1 146 . 1 1 33 33 VAL N N 15 119.624 0.030 . 1 . . . . . 355 VAL N . 27629 1 147 . 1 1 34 34 PHE H H 1 8.256 0.002 . 1 . . . . . 356 PHE H . 27629 1 148 . 1 1 34 34 PHE C C 13 175.532 0.008 . 1 . . . . . 356 PHE C . 27629 1 149 . 1 1 34 34 PHE CA C 13 57.149 0.070 . 1 . . . . . 356 PHE CA . 27629 1 150 . 1 1 34 34 PHE CB C 13 38.779 0.000 . 1 . . . . . 356 PHE CB . 27629 1 151 . 1 1 34 34 PHE N N 15 123.794 0.043 . 1 . . . . . 356 PHE N . 27629 1 152 . 1 1 35 35 LYS H H 1 8.149 0.003 . 1 . . . . . 357 LYS H . 27629 1 153 . 1 1 35 35 LYS C C 13 175.954 0.012 . 1 . . . . . 357 LYS C . 27629 1 154 . 1 1 35 35 LYS CA C 13 55.640 0.054 . 1 . . . . . 357 LYS CA . 27629 1 155 . 1 1 35 35 LYS CB C 13 32.140 0.000 . 1 . . . . . 357 LYS CB . 27629 1 156 . 1 1 35 35 LYS N N 15 123.559 0.028 . 1 . . . . . 357 LYS N . 27629 1 157 . 1 1 36 36 LYS H H 1 8.219 0.003 . 1 . . . . . 358 LYS H . 27629 1 158 . 1 1 36 36 LYS C C 13 176.494 0.001 . 1 . . . . . 358 LYS C . 27629 1 159 . 1 1 36 36 LYS CA C 13 55.856 0.046 . 1 . . . . . 358 LYS CA . 27629 1 160 . 1 1 36 36 LYS CB C 13 32.120 0.022 . 1 . . . . . 358 LYS CB . 27629 1 161 . 1 1 36 36 LYS N N 15 122.810 0.044 . 1 . . . . . 358 LYS N . 27629 1 162 . 1 1 37 37 ARG H H 1 8.402 0.006 . 1 . . . . . 359 ARG H . 27629 1 163 . 1 1 37 37 ARG C C 13 176.278 0.000 . 1 . . . . . 359 ARG C . 27629 1 164 . 1 1 37 37 ARG CA C 13 55.683 0.002 . 1 . . . . . 359 ARG CA . 27629 1 165 . 1 1 37 37 ARG CB C 13 29.755 0.000 . 1 . . . . . 359 ARG CB . 27629 1 166 . 1 1 37 37 ARG N N 15 122.992 0.030 . 1 . . . . . 359 ARG N . 27629 1 167 . 1 1 38 38 ARG C C 13 176.511 0.022 . 1 . . . . . 360 ARG C . 27629 1 168 . 1 1 38 38 ARG CA C 13 55.776 0.000 . 1 . . . . . 360 ARG CA . 27629 1 169 . 1 1 39 39 THR H H 1 8.274 0.003 . 1 . . . . . 361 THR H . 27629 1 170 . 1 1 39 39 THR C C 13 174.499 0.051 . 1 . . . . . 361 THR C . 27629 1 171 . 1 1 39 39 THR CA C 13 61.421 0.015 . 1 . . . . . 361 THR CA . 27629 1 172 . 1 1 39 39 THR N N 15 115.950 0.115 . 1 . . . . . 361 THR N . 27629 1 173 . 1 1 40 40 GLU H H 1 8.534 0.004 . 1 . . . . . 362 GLU H . 27629 1 174 . 1 1 40 40 GLU C C 13 176.282 0.000 . 1 . . . . . 362 GLU C . 27629 1 175 . 1 1 40 40 GLU CA C 13 55.869 0.000 . 1 . . . . . 362 GLU CA . 27629 1 176 . 1 1 40 40 GLU N N 15 123.390 0.076 . 1 . . . . . 362 GLU N . 27629 1 177 . 1 1 42 42 GLY H H 1 8.475 0.009 . 1 . . . . . 364 GLY H . 27629 1 178 . 1 1 42 42 GLY C C 13 174.400 0.000 . 1 . . . . . 364 GLY C . 27629 1 179 . 1 1 42 42 GLY CA C 13 45.171 0.031 . 1 . . . . . 364 GLY CA . 27629 1 180 . 1 1 42 42 GLY N N 15 109.380 0.016 . 1 . . . . . 364 GLY N . 27629 1 181 . 1 1 43 43 LYS H H 1 8.157 0.004 . 1 . . . . . 365 LYS H . 27629 1 182 . 1 1 43 43 LYS C C 13 176.985 0.026 . 1 . . . . . 365 LYS C . 27629 1 183 . 1 1 43 43 LYS CA C 13 55.907 0.000 . 1 . . . . . 365 LYS CA . 27629 1 184 . 1 1 43 43 LYS CB C 13 32.056 0.000 . 1 . . . . . 365 LYS CB . 27629 1 185 . 1 1 43 43 LYS N N 15 120.605 0.038 . 1 . . . . . 365 LYS N . 27629 1 186 . 1 1 44 44 SER H H 1 8.321 0.004 . 1 . . . . . 366 SER H . 27629 1 187 . 1 1 44 44 SER CA C 13 58.077 0.000 . 1 . . . . . 366 SER CA . 27629 1 188 . 1 1 44 44 SER N N 15 116.453 0.036 . 1 . . . . . 366 SER N . 27629 1 189 . 1 1 45 45 ARG C C 13 175.982 0.055 . 1 . . . . . 367 ARG C . 27629 1 190 . 1 1 45 45 ARG CA C 13 56.077 0.073 . 1 . . . . . 367 ARG CA . 27629 1 191 . 1 1 46 46 ASN H H 1 8.440 0.005 . 1 . . . . . 368 ASN H . 27629 1 192 . 1 1 46 46 ASN C C 13 175.177 0.025 . 1 . . . . . 368 ASN C . 27629 1 193 . 1 1 46 46 ASN CA C 13 52.886 0.018 . 1 . . . . . 368 ASN CA . 27629 1 194 . 1 1 46 46 ASN N N 15 119.175 0.067 . 1 . . . . . 368 ASN N . 27629 1 195 . 1 1 47 47 LEU H H 1 8.204 0.006 . 1 . . . . . 369 LEU H . 27629 1 196 . 1 1 47 47 LEU C C 13 177.396 0.007 . 1 . . . . . 369 LEU C . 27629 1 197 . 1 1 47 47 LEU CA C 13 54.981 0.010 . 1 . . . . . 369 LEU CA . 27629 1 198 . 1 1 47 47 LEU CB C 13 41.188 0.009 . 1 . . . . . 369 LEU CB . 27629 1 199 . 1 1 47 47 LEU N N 15 122.485 0.036 . 1 . . . . . 369 LEU N . 27629 1 200 . 1 1 48 48 ARG H H 1 8.274 0.003 . 1 . . . . . 370 ARG H . 27629 1 201 . 1 1 48 48 ARG C C 13 176.355 0.023 . 1 . . . . . 370 ARG C . 27629 1 202 . 1 1 48 48 ARG CA C 13 55.689 0.015 . 1 . . . . . 370 ARG CA . 27629 1 203 . 1 1 48 48 ARG CB C 13 29.473 0.000 . 1 . . . . . 370 ARG CB . 27629 1 204 . 1 1 48 48 ARG N N 15 121.055 0.037 . 1 . . . . . 370 ARG N . 27629 1 205 . 1 1 49 49 GLN H H 1 8.396 0.005 . 1 . . . . . 371 GLN H . 27629 1 206 . 1 1 49 49 GLN C C 13 175.945 0.026 . 1 . . . . . 371 GLN C . 27629 1 207 . 1 1 49 49 GLN CA C 13 55.424 0.002 . 1 . . . . . 371 GLN CA . 27629 1 208 . 1 1 49 49 GLN CB C 13 29.476 0.000 . 1 . . . . . 371 GLN CB . 27629 1 209 . 1 1 49 49 GLN N N 15 121.411 0.037 . 1 . . . . . 371 GLN N . 27629 1 210 . 1 1 50 50 ARG H H 1 8.445 0.001 . 1 . . . . . 372 ARG H . 27629 1 211 . 1 1 50 50 ARG C C 13 176.927 0.023 . 1 . . . . . 372 ARG C . 27629 1 212 . 1 1 50 50 ARG CA C 13 55.872 0.148 . 1 . . . . . 372 ARG CA . 27629 1 213 . 1 1 50 50 ARG N N 15 122.085 0.005 . 1 . . . . . 372 ARG N . 27629 1 214 . 1 1 51 51 GLY H H 1 8.486 0.002 . 1 . . . . . 373 GLY H . 27629 1 215 . 1 1 51 51 GLY C C 13 173.999 0.012 . 1 . . . . . 373 GLY C . 27629 1 216 . 1 1 51 51 GLY CA C 13 44.878 0.069 . 1 . . . . . 373 GLY CA . 27629 1 217 . 1 1 51 51 GLY N N 15 110.265 0.068 . 1 . . . . . 373 GLY N . 27629 1 218 . 1 1 52 52 ASP H H 1 8.254 0.002 . 1 . . . . . 374 ASP H . 27629 1 219 . 1 1 52 52 ASP C C 13 176.038 0.016 . 1 . . . . . 374 ASP C . 27629 1 220 . 1 1 52 52 ASP CA C 13 54.118 0.108 . 1 . . . . . 374 ASP CA . 27629 1 221 . 1 1 52 52 ASP CB C 13 40.433 0.000 . 1 . . . . . 374 ASP CB . 27629 1 222 . 1 1 52 52 ASP N N 15 120.238 0.019 . 1 . . . . . 374 ASP N . 27629 1 223 . 1 1 53 53 ASP H H 1 8.349 0.002 . 1 . . . . . 375 ASP H . 27629 1 224 . 1 1 53 53 ASP C C 13 175.343 0.009 . 1 . . . . . 375 ASP C . 27629 1 225 . 1 1 53 53 ASP CA C 13 54.118 0.144 . 1 . . . . . 375 ASP CA . 27629 1 226 . 1 1 53 53 ASP CB C 13 40.321 0.017 . 1 . . . . . 375 ASP CB . 27629 1 227 . 1 1 53 53 ASP N N 15 119.979 0.011 . 1 . . . . . 375 ASP N . 27629 1 228 . 1 1 54 54 GLN H H 1 7.836 0.001 . 1 . . . . . 376 GLN H . 27629 1 229 . 1 1 54 54 GLN C C 13 180.706 0.000 . 1 . . . . . 376 GLN C . 27629 1 230 . 1 1 54 54 GLN CA C 13 56.895 0.044 . 1 . . . . . 376 GLN CA . 27629 1 231 . 1 1 54 54 GLN CB C 13 29.763 0.000 . 1 . . . . . 376 GLN CB . 27629 1 232 . 1 1 54 54 GLN N N 15 124.548 0.019 . 1 . . . . . 376 GLN N . 27629 1 stop_ save_