data_27186 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27186 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for APLF acidic domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-21 _Entry.Accession_date 2017-07-21 _Entry.Last_release_date 2017-07-21 _Entry.Original_release_date 2017-07-21 _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 Hugo 'van Ingen' . . . . 27186 2 Ivan Corbeski . . . . 27186 3 Klemen Dolinar . . . . 27186 4 Hans Wienk . . . . 27186 5 Rolf Boelens . . . . 27186 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27186 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 190 27186 '15N chemical shifts' 60 27186 '1H chemical shifts' 119 27186 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 . . 2018-11-21 2017-07-21 update BMRB 'update entry citation' 27186 1 . . 2018-06-21 2017-07-21 original author 'original release' 27186 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27186 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29905837 _Citation.Full_citation . _Citation.Title ; DNA repair factor APLF acts as a H2A-H2B histone chaperone through binding its DNA interaction surface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 14 _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 7138 _Citation.Page_last 7152 _Citation.Year 2018 _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 Ivan Corbeski . . . . 27186 1 2 Klemen Dolinar . . . . 27186 1 3 Hans Wienk . . . . 27186 1 4 Rolf Boelens . . . . 27186 1 5 Hugo 'van Ingen' . . . . 27186 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27186 _Assembly.ID 1 _Assembly.Name 'APLF acidic domain' _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 'APLF acidic domain' 1 $APLF_acidic_domain A . yes 'intrinsically disordered' no no . . . 27186 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APLF_acidic_domain _Entity.Sf_category entity _Entity.Sf_framecode APLF_acidic_domain _Entity.Entry_ID 27186 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name APLF_acidic_domain _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 ; GSLDEDNDNVGQPNEYDLND SFLDDEEEDYEPTDEDSDWE PGKEDEEKEDVEELLKEAKR FMKRK ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 447 GLY . 27186 1 2 448 SER . 27186 1 3 449 LEU . 27186 1 4 450 ASP . 27186 1 5 451 GLU . 27186 1 6 452 ASP . 27186 1 7 453 ASN . 27186 1 8 454 ASP . 27186 1 9 455 ASN . 27186 1 10 456 VAL . 27186 1 11 457 GLY . 27186 1 12 458 GLN . 27186 1 13 459 PRO . 27186 1 14 460 ASN . 27186 1 15 461 GLU . 27186 1 16 462 TYR . 27186 1 17 463 ASP . 27186 1 18 464 LEU . 27186 1 19 465 ASN . 27186 1 20 466 ASP . 27186 1 21 467 SER . 27186 1 22 468 PHE . 27186 1 23 469 LEU . 27186 1 24 470 ASP . 27186 1 25 471 ASP . 27186 1 26 472 GLU . 27186 1 27 473 GLU . 27186 1 28 474 GLU . 27186 1 29 475 ASP . 27186 1 30 476 TYR . 27186 1 31 477 GLU . 27186 1 32 478 PRO . 27186 1 33 479 THR . 27186 1 34 480 ASP . 27186 1 35 481 GLU . 27186 1 36 482 ASP . 27186 1 37 483 SER . 27186 1 38 484 ASP . 27186 1 39 485 TRP . 27186 1 40 486 GLU . 27186 1 41 487 PRO . 27186 1 42 488 GLY . 27186 1 43 489 LYS . 27186 1 44 490 GLU . 27186 1 45 491 ASP . 27186 1 46 492 GLU . 27186 1 47 493 GLU . 27186 1 48 494 LYS . 27186 1 49 495 GLU . 27186 1 50 496 ASP . 27186 1 51 497 VAL . 27186 1 52 498 GLU . 27186 1 53 499 GLU . 27186 1 54 500 LEU . 27186 1 55 501 LEU . 27186 1 56 502 LYS . 27186 1 57 503 GLU . 27186 1 58 504 ALA . 27186 1 59 505 LYS . 27186 1 60 506 ARG . 27186 1 61 507 PHE . 27186 1 62 508 MET . 27186 1 63 509 LYS . 27186 1 64 510 ARG . 27186 1 65 511 LYS . 27186 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 27186 1 . SER 2 2 27186 1 . LEU 3 3 27186 1 . ASP 4 4 27186 1 . GLU 5 5 27186 1 . ASP 6 6 27186 1 . ASN 7 7 27186 1 . ASP 8 8 27186 1 . ASN 9 9 27186 1 . VAL 10 10 27186 1 . GLY 11 11 27186 1 . GLN 12 12 27186 1 . PRO 13 13 27186 1 . ASN 14 14 27186 1 . GLU 15 15 27186 1 . TYR 16 16 27186 1 . ASP 17 17 27186 1 . LEU 18 18 27186 1 . ASN 19 19 27186 1 . ASP 20 20 27186 1 . SER 21 21 27186 1 . PHE 22 22 27186 1 . LEU 23 23 27186 1 . ASP 24 24 27186 1 . ASP 25 25 27186 1 . GLU 26 26 27186 1 . GLU 27 27 27186 1 . GLU 28 28 27186 1 . ASP 29 29 27186 1 . TYR 30 30 27186 1 . GLU 31 31 27186 1 . PRO 32 32 27186 1 . THR 33 33 27186 1 . ASP 34 34 27186 1 . GLU 35 35 27186 1 . ASP 36 36 27186 1 . SER 37 37 27186 1 . ASP 38 38 27186 1 . TRP 39 39 27186 1 . GLU 40 40 27186 1 . PRO 41 41 27186 1 . GLY 42 42 27186 1 . LYS 43 43 27186 1 . GLU 44 44 27186 1 . ASP 45 45 27186 1 . GLU 46 46 27186 1 . GLU 47 47 27186 1 . LYS 48 48 27186 1 . GLU 49 49 27186 1 . ASP 50 50 27186 1 . VAL 51 51 27186 1 . GLU 52 52 27186 1 . GLU 53 53 27186 1 . LEU 54 54 27186 1 . LEU 55 55 27186 1 . LYS 56 56 27186 1 . GLU 57 57 27186 1 . ALA 58 58 27186 1 . LYS 59 59 27186 1 . ARG 60 60 27186 1 . PHE 61 61 27186 1 . MET 62 62 27186 1 . LYS 63 63 27186 1 . ARG 64 64 27186 1 . LYS 65 65 27186 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 27186 _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 $APLF_acidic_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27186 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 27186 _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 $APLF_acidic_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pLIC . . . 27186 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27186 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'APLF acidic domain' '[U-100% 13C; U-100% 15N]' . . 1 $APLF_acidic_domain . . . 200 300 uM . . . . 27186 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 27186 _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' 300 . mM 27186 1 pH 7 . pH 27186 1 pressure 1 . atm 27186 1 temperature 300 . K 27186 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27186 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27186 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27186 1 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 27186 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27186 _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 . 600 . . . 27186 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 27186 _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 . . . . . . . . . . . . . . . . 27186 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27186 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27186 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27186 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27186 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 27186 _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 H 1 water protons . . . . ppm 4.7 external direct 1.0 . . . . . 27186 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 27186 _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' . . . 27186 1 2 '3D HNCO' . . . 27186 1 3 '3D HNCACB' . . . 27186 1 4 '3D CBCA(CO)NH' . . . 27186 1 5 '3D HBHA(CO)NH' . . . 27186 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 SER HA H 1 4.611 . . . . . . . . 448 S HA . 27186 1 2 . 1 1 2 2 SER C C 13 174.880 . . . . . . . . 448 S CO . 27186 1 3 . 1 1 2 2 SER CA C 13 58.881 . . . . . . . . 448 S CA . 27186 1 4 . 1 1 2 2 SER CB C 13 64.107 . . . . . . . . 448 S CB . 27186 1 5 . 1 1 3 3 LEU H H 1 8.502 . . . . . . . . 449 L H . 27186 1 6 . 1 1 3 3 LEU HA H 1 4.516 . . . . . . . . 449 L HA . 27186 1 7 . 1 1 3 3 LEU C C 13 177.359 . . . . . . . . 449 L CO . 27186 1 8 . 1 1 3 3 LEU CA C 13 55.885 . . . . . . . . 449 L CA . 27186 1 9 . 1 1 3 3 LEU CB C 13 42.295 . . . . . . . . 449 L CB . 27186 1 10 . 1 1 3 3 LEU N N 15 123.259 . . . . . . . . 449 L N . 27186 1 11 . 1 1 4 4 ASP H H 1 8.193 . . . . . . . . 450 D H . 27186 1 12 . 1 1 4 4 ASP C C 13 176.383 . . . . . . . . 450 D CO . 27186 1 13 . 1 1 4 4 ASP CA C 13 54.741 . . . . . . . . 450 D CA . 27186 1 14 . 1 1 4 4 ASP CB C 13 41.505 . . . . . . . . 450 D CB . 27186 1 15 . 1 1 4 4 ASP N N 15 120.019 . . . . . . . . 450 D N . 27186 1 16 . 1 1 5 5 GLU H H 1 8.395 . . . . . . . . 451 E H . 27186 1 17 . 1 1 5 5 GLU HA H 1 4.417 . . . . . . . . 451 E HA . 27186 1 18 . 1 1 5 5 GLU C C 13 176.175 . . . . . . . . 451 E CO . 27186 1 19 . 1 1 5 5 GLU CA C 13 56.722 . . . . . . . . 451 E CA . 27186 1 20 . 1 1 5 5 GLU CB C 13 30.695 . . . . . . . . 451 E CB . 27186 1 21 . 1 1 5 5 GLU N N 15 121.199 . . . . . . . . 451 E N . 27186 1 22 . 1 1 6 6 ASP H H 1 8.487 . . . . . . . . 452 D H . 27186 1 23 . 1 1 6 6 ASP HA H 1 4.744 . . . . . . . . 452 D HA . 27186 1 24 . 1 1 6 6 ASP C C 13 176.145 . . . . . . . . 452 D CO . 27186 1 25 . 1 1 6 6 ASP CA C 13 54.681 . . . . . . . . 452 D CA . 27186 1 26 . 1 1 6 6 ASP CB C 13 41.347 . . . . . . . . 452 D CB . 27186 1 27 . 1 1 6 6 ASP N N 15 122.134 . . . . . . . . 452 D N . 27186 1 28 . 1 1 7 7 ASN H H 1 8.267 . . . . . . . . 453 N H . 27186 1 29 . 1 1 7 7 ASN HA H 1 4.818 . . . . . . . . 453 N HA . 27186 1 30 . 1 1 7 7 ASN C C 13 175.122 . . . . . . . . 453 N CO . 27186 1 31 . 1 1 7 7 ASN CA C 13 53.626 . . . . . . . . 453 N CA . 27186 1 32 . 1 1 7 7 ASN CB C 13 39.606 . . . . . . . . 453 N CB . 27186 1 33 . 1 1 7 7 ASN N N 15 119.235 . . . . . . . . 453 N N . 27186 1 34 . 1 1 8 8 ASP H H 1 8.394 . . . . . . . . 454 D H . 27186 1 35 . 1 1 8 8 ASP HA H 1 4.728 . . . . . . . . 454 D HA . 27186 1 36 . 1 1 8 8 ASP C C 13 176.098 . . . . . . . . 454 D CO . 27186 1 37 . 1 1 8 8 ASP CA C 13 54.803 . . . . . . . . 454 D CA . 27186 1 38 . 1 1 8 8 ASP CB C 13 41.329 . . . . . . . . 454 D CB . 27186 1 39 . 1 1 8 8 ASP N N 15 120.666 . . . . . . . . 454 D N . 27186 1 40 . 1 1 9 9 ASN H H 1 8.339 . . . . . . . . 455 N H . 27186 1 41 . 1 1 9 9 ASN HA H 1 4.843 . . . . . . . . 455 N HA . 27186 1 42 . 1 1 9 9 ASN C C 13 175.315 . . . . . . . . 455 N CO . 27186 1 43 . 1 1 9 9 ASN CA C 13 53.529 . . . . . . . . 455 N CA . 27186 1 44 . 1 1 9 9 ASN CB C 13 39.153 . . . . . . . . 455 N CB . 27186 1 45 . 1 1 9 9 ASN N N 15 118.838 . . . . . . . . 455 N N . 27186 1 46 . 1 1 10 10 VAL H H 1 8.032 . . . . . . . . 456 V H . 27186 1 47 . 1 1 10 10 VAL HA H 1 4.234 . . . . . . . . 456 V HA . 27186 1 48 . 1 1 10 10 VAL C C 13 176.798 . . . . . . . . 456 V CO . 27186 1 49 . 1 1 10 10 VAL CA C 13 62.812 . . . . . . . . 456 V CA . 27186 1 50 . 1 1 10 10 VAL CB C 13 32.607 . . . . . . . . 456 V CB . 27186 1 51 . 1 1 10 10 VAL N N 15 119.851 . . . . . . . . 456 V N . 27186 1 52 . 1 1 11 11 GLY H H 1 8.481 . . . . . . . . 457 G H . 27186 1 53 . 1 1 11 11 GLY HA2 H 1 4.068 . . . . . . . . 457 G QA . 27186 1 54 . 1 1 11 11 GLY HA3 H 1 4.068 . . . . . . . . 457 G QA . 27186 1 55 . 1 1 11 11 GLY C C 13 173.791 . . . . . . . . 457 G CO . 27186 1 56 . 1 1 11 11 GLY CA C 13 45.369 . . . . . . . . 457 G CA . 27186 1 57 . 1 1 11 11 GLY N N 15 112.150 . . . . . . . . 457 G N . 27186 1 58 . 1 1 12 12 GLN H H 1 8.208 . . . . . . . . 458 Q H . 27186 1 59 . 1 1 12 12 GLN C C 13 174.265 . . . . . . . . 458 Q CO . 27186 1 60 . 1 1 12 12 GLN CA C 13 53.713 . . . . . . . . 458 Q CA . 27186 1 61 . 1 1 12 12 GLN CB C 13 29.171 . . . . . . . . 458 Q CB . 27186 1 62 . 1 1 12 12 GLN N N 15 120.834 . . . . . . . . 458 Q N . 27186 1 63 . 1 1 13 13 PRO HA H 1 4.538 . . . . . . . . 459 P HA . 27186 1 64 . 1 1 13 13 PRO C C 13 176.789 . . . . . . . . 459 P CO . 27186 1 65 . 1 1 13 13 PRO CA C 13 63.516 . . . . . . . . 459 P CA . 27186 1 66 . 1 1 13 13 PRO CB C 13 32.215 . . . . . . . . 459 P CB . 27186 1 67 . 1 1 14 14 ASN H H 1 8.548 . . . . . . . . 460 N H . 27186 1 68 . 1 1 14 14 ASN C C 13 175.444 . . . . . . . . 460 N CO . 27186 1 69 . 1 1 14 14 ASN CA C 13 53.498 . . . . . . . . 460 N CA . 27186 1 70 . 1 1 14 14 ASN CB C 13 39.365 . . . . . . . . 460 N CB . 27186 1 71 . 1 1 14 14 ASN N N 15 118.920 . . . . . . . . 460 N N . 27186 1 72 . 1 1 15 15 GLU H H 1 8.407 . . . . . . . . 461 E H . 27186 1 73 . 1 1 15 15 GLU HA H 1 4.324 . . . . . . . . 461 E HA . 27186 1 74 . 1 1 15 15 GLU C C 13 176.136 . . . . . . . . 461 E CO . 27186 1 75 . 1 1 15 15 GLU CA C 13 57.064 . . . . . . . . 461 E CA . 27186 1 76 . 1 1 15 15 GLU CB C 13 30.375 . . . . . . . . 461 E CB . 27186 1 77 . 1 1 15 15 GLU N N 15 121.225 . . . . . . . . 461 E N . 27186 1 78 . 1 1 16 16 TYR H H 1 8.043 . . . . . . . . 462 Y H . 27186 1 79 . 1 1 16 16 TYR HA H 1 4.691 . . . . . . . . 462 Y HA . 27186 1 80 . 1 1 16 16 TYR C C 13 175.492 . . . . . . . . 462 Y CO . 27186 1 81 . 1 1 16 16 TYR CA C 13 57.922 . . . . . . . . 462 Y CA . 27186 1 82 . 1 1 16 16 TYR CB C 13 38.974 . . . . . . . . 462 Y CB . 27186 1 83 . 1 1 16 16 TYR N N 15 119.791 . . . . . . . . 462 Y N . 27186 1 84 . 1 1 17 17 ASP H H 1 8.212 . . . . . . . . 463 D H . 27186 1 85 . 1 1 17 17 ASP HA H 1 4.726 . . . . . . . . 463 D HA . 27186 1 86 . 1 1 17 17 ASP C C 13 176.169 . . . . . . . . 463 D CO . 27186 1 87 . 1 1 17 17 ASP CA C 13 54.509 . . . . . . . . 463 D CA . 27186 1 88 . 1 1 17 17 ASP CB C 13 41.568 . . . . . . . . 463 D CB . 27186 1 89 . 1 1 17 17 ASP N N 15 121.901 . . . . . . . . 463 D N . 27186 1 90 . 1 1 18 18 LEU H H 1 8.095 . . . . . . . . 464 L H . 27186 1 91 . 1 1 18 18 LEU HA H 1 4.419 . . . . . . . . 464 L HA . 27186 1 92 . 1 1 18 18 LEU C C 13 177.386 . . . . . . . . 464 L CO . 27186 1 93 . 1 1 18 18 LEU CA C 13 55.631 . . . . . . . . 464 L CA . 27186 1 94 . 1 1 18 18 LEU CB C 13 42.419 . . . . . . . . 464 L CB . 27186 1 95 . 1 1 18 18 LEU N N 15 122.693 . . . . . . . . 464 L N . 27186 1 96 . 1 1 19 19 ASN H H 1 8.408 . . . . . . . . 465 N H . 27186 1 97 . 1 1 19 19 ASN HA H 1 4.770 . . . . . . . . 465 N HA . 27186 1 98 . 1 1 19 19 ASN C C 13 175.130 . . . . . . . . 465 N CO . 27186 1 99 . 1 1 19 19 ASN CA C 13 53.722 . . . . . . . . 465 N CA . 27186 1 100 . 1 1 19 19 ASN CB C 13 39.423 . . . . . . . . 465 N CB . 27186 1 101 . 1 1 19 19 ASN N N 15 119.080 . . . . . . . . 465 N N . 27186 1 102 . 1 1 20 20 ASP H H 1 8.246 . . . . . . . . 466 D H . 27186 1 103 . 1 1 20 20 ASP HA H 1 4.702 . . . . . . . . 466 D HA . 27186 1 104 . 1 1 20 20 ASP C C 13 176.325 . . . . . . . . 466 D CO . 27186 1 105 . 1 1 20 20 ASP CA C 13 54.716 . . . . . . . . 466 D CA . 27186 1 106 . 1 1 20 20 ASP CB C 13 41.372 . . . . . . . . 466 D CB . 27186 1 107 . 1 1 20 20 ASP N N 15 121.009 . . . . . . . . 466 D N . 27186 1 108 . 1 1 21 21 SER H H 1 8.138 . . . . . . . . 467 S H . 27186 1 109 . 1 1 21 21 SER HA H 1 4.496 . . . . . . . . 467 S HA . 27186 1 110 . 1 1 21 21 SER C C 13 174.204 . . . . . . . . 467 S CO . 27186 1 111 . 1 1 21 21 SER CA C 13 58.640 . . . . . . . . 467 S CA . 27186 1 112 . 1 1 21 21 SER CB C 13 64.089 . . . . . . . . 467 S CB . 27186 1 113 . 1 1 21 21 SER N N 15 115.748 . . . . . . . . 467 S N . 27186 1 114 . 1 1 22 22 PHE H H 1 8.176 . . . . . . . . 468 F H . 27186 1 115 . 1 1 22 22 PHE HA H 1 4.756 . . . . . . . . 468 F HA . 27186 1 116 . 1 1 22 22 PHE C C 13 175.551 . . . . . . . . 468 F CO . 27186 1 117 . 1 1 22 22 PHE CA C 13 57.916 . . . . . . . . 468 F CA . 27186 1 118 . 1 1 22 22 PHE CB C 13 39.535 . . . . . . . . 468 F CB . 27186 1 119 . 1 1 22 22 PHE N N 15 121.943 . . . . . . . . 468 F N . 27186 1 120 . 1 1 23 23 LEU H H 1 8.062 . . . . . . . . 469 L H . 27186 1 121 . 1 1 23 23 LEU HA H 1 4.464 . . . . . . . . 469 L HA . 27186 1 122 . 1 1 23 23 LEU C C 13 176.774 . . . . . . . . 469 L CO . 27186 1 123 . 1 1 23 23 LEU CA C 13 55.099 . . . . . . . . 469 L CA . 27186 1 124 . 1 1 23 23 LEU CB C 13 42.867 . . . . . . . . 469 L CB . 27186 1 125 . 1 1 23 23 LEU N N 15 123.650 . . . . . . . . 469 L N . 27186 1 126 . 1 1 24 24 ASP H H 1 8.208 . . . . . . . . 470 D H . 27186 1 127 . 1 1 24 24 ASP HA H 1 4.721 . . . . . . . . 470 D HA . 27186 1 128 . 1 1 24 24 ASP C C 13 175.939 . . . . . . . . 470 D CO . 27186 1 129 . 1 1 24 24 ASP CA C 13 54.614 . . . . . . . . 470 D CA . 27186 1 130 . 1 1 24 24 ASP CB C 13 41.445 . . . . . . . . 470 D CB . 27186 1 131 . 1 1 24 24 ASP N N 15 121.584 . . . . . . . . 470 D N . 27186 1 132 . 1 1 25 25 ASP H H 1 8.242 . . . . . . . . 471 D H . 27186 1 133 . 1 1 25 25 ASP HA H 1 4.718 . . . . . . . . 471 D HA . 27186 1 134 . 1 1 25 25 ASP C C 13 176.314 . . . . . . . . 471 D CO . 27186 1 135 . 1 1 25 25 ASP CA C 13 54.610 . . . . . . . . 471 D CA . 27186 1 136 . 1 1 25 25 ASP CB C 13 41.578 . . . . . . . . 471 D CB . 27186 1 137 . 1 1 25 25 ASP N N 15 120.869 . . . . . . . . 471 D N . 27186 1 138 . 1 1 26 26 GLU H H 1 8.332 . . . . . . . . 472 E H . 27186 1 139 . 1 1 26 26 GLU HA H 1 4.396 . . . . . . . . 472 E HA . 27186 1 140 . 1 1 26 26 GLU C C 13 176.323 . . . . . . . . 472 E CO . 27186 1 141 . 1 1 26 26 GLU CA C 13 56.912 . . . . . . . . 472 E CA . 27186 1 142 . 1 1 26 26 GLU CB C 13 30.413 . . . . . . . . 472 E CB . 27186 1 143 . 1 1 26 26 GLU N N 15 121.079 . . . . . . . . 472 E N . 27186 1 144 . 1 1 27 27 GLU H H 1 8.334 . . . . . . . . 473 E H . 27186 1 145 . 1 1 27 27 GLU HA H 1 4.397 . . . . . . . . 473 E HA . 27186 1 146 . 1 1 27 27 GLU C C 13 176.487 . . . . . . . . 473 E CO . 27186 1 147 . 1 1 27 27 GLU CA C 13 56.686 . . . . . . . . 473 E CA . 27186 1 148 . 1 1 27 27 GLU CB C 13 30.668 . . . . . . . . 473 E CB . 27186 1 149 . 1 1 27 27 GLU N N 15 120.921 . . . . . . . . 473 E N . 27186 1 150 . 1 1 28 28 GLU H H 1 8.415 . . . . . . . . 474 E H . 27186 1 151 . 1 1 28 28 GLU HA H 1 4.391 . . . . . . . . 474 E HA . 27186 1 152 . 1 1 28 28 GLU C C 13 175.935 . . . . . . . . 474 E CO . 27186 1 153 . 1 1 28 28 GLU CA C 13 56.594 . . . . . . . . 474 E CA . 27186 1 154 . 1 1 28 28 GLU CB C 13 30.821 . . . . . . . . 474 E CB . 27186 1 155 . 1 1 28 28 GLU N N 15 122.502 . . . . . . . . 474 E N . 27186 1 156 . 1 1 29 29 ASP H H 1 8.382 . . . . . . . . 475 D H . 27186 1 157 . 1 1 29 29 ASP HA H 1 4.731 . . . . . . . . 475 D HA . 27186 1 158 . 1 1 29 29 ASP C C 13 175.586 . . . . . . . . 475 D CO . 27186 1 159 . 1 1 29 29 ASP CA C 13 54.314 . . . . . . . . 475 D CA . 27186 1 160 . 1 1 29 29 ASP CB C 13 41.532 . . . . . . . . 475 D CB . 27186 1 161 . 1 1 29 29 ASP N N 15 121.877 . . . . . . . . 475 D N . 27186 1 162 . 1 1 30 30 TYR H H 1 8.112 . . . . . . . . 476 Y H . 27186 1 163 . 1 1 30 30 TYR HA H 1 4.686 . . . . . . . . 476 Y HA . 27186 1 164 . 1 1 30 30 TYR C C 13 175.140 . . . . . . . . 476 Y CO . 27186 1 165 . 1 1 30 30 TYR CA C 13 57.880 . . . . . . . . 476 Y CA . 27186 1 166 . 1 1 30 30 TYR CB C 13 39.418 . . . . . . . . 476 Y CB . 27186 1 167 . 1 1 30 30 TYR N N 15 121.365 . . . . . . . . 476 Y N . 27186 1 168 . 1 1 31 31 GLU H H 1 8.184 . . . . . . . . 477 E H . 27186 1 169 . 1 1 31 31 GLU C C 13 173.887 . . . . . . . . 477 E CO . 27186 1 170 . 1 1 31 31 GLU CA C 13 53.826 . . . . . . . . 477 E CA . 27186 1 171 . 1 1 31 31 GLU CB C 13 30.439 . . . . . . . . 477 E CB . 27186 1 172 . 1 1 31 31 GLU N N 15 125.580 . . . . . . . . 477 E N . 27186 1 173 . 1 1 32 32 PRO HA H 1 4.561 . . . . . . . . 478 P HA . 27186 1 174 . 1 1 32 32 PRO C C 13 177.154 . . . . . . . . 478 P CO . 27186 1 175 . 1 1 32 32 PRO CA C 13 63.170 . . . . . . . . 478 P CA . 27186 1 176 . 1 1 32 32 PRO CB C 13 32.267 . . . . . . . . 478 P CB . 27186 1 177 . 1 1 33 33 THR H H 1 8.323 . . . . . . . . 479 T H . 27186 1 178 . 1 1 33 33 THR HA H 1 4.520 . . . . . . . . 479 T HA . 27186 1 179 . 1 1 33 33 THR C C 13 174.487 . . . . . . . . 479 T CO . 27186 1 180 . 1 1 33 33 THR CA C 13 61.625 . . . . . . . . 479 T CA . 27186 1 181 . 1 1 33 33 THR CB C 13 70.286 . . . . . . . . 479 T CB . 27186 1 182 . 1 1 33 33 THR N N 15 114.240 . . . . . . . . 479 T N . 27186 1 183 . 1 1 34 34 ASP H H 1 8.404 . . . . . . . . 480 D H . 27186 1 184 . 1 1 34 34 ASP HA H 1 4.703 . . . . . . . . 480 D HA . 27186 1 185 . 1 1 34 34 ASP C C 13 176.362 . . . . . . . . 480 D CO . 27186 1 186 . 1 1 34 34 ASP CA C 13 54.807 . . . . . . . . 480 D CA . 27186 1 187 . 1 1 34 34 ASP CB C 13 41.409 . . . . . . . . 480 D CB . 27186 1 188 . 1 1 34 34 ASP N N 15 122.682 . . . . . . . . 480 D N . 27186 1 189 . 1 1 35 35 GLU H H 1 8.191 . . . . . . . . 481 E H . 27186 1 190 . 1 1 35 35 GLU C C 13 176.389 . . . . . . . . 481 E CO . 27186 1 191 . 1 1 35 35 GLU CA C 13 56.840 . . . . . . . . 481 E CA . 27186 1 192 . 1 1 35 35 GLU CB C 13 30.576 . . . . . . . . 481 E CB . 27186 1 193 . 1 1 35 35 GLU N N 15 120.452 . . . . . . . . 481 E N . 27186 1 194 . 1 1 36 36 ASP H H 1 8.368 . . . . . . . . 482 D H . 27186 1 195 . 1 1 36 36 ASP HA H 1 4.774 . . . . . . . . 482 D HA . 27186 1 196 . 1 1 36 36 ASP C C 13 176.481 . . . . . . . . 482 D CO . 27186 1 197 . 1 1 36 36 ASP CA C 13 54.670 . . . . . . . . 482 D CA . 27186 1 198 . 1 1 36 36 ASP CB C 13 41.518 . . . . . . . . 482 D CB . 27186 1 199 . 1 1 36 36 ASP N N 15 121.448 . . . . . . . . 482 D N . 27186 1 200 . 1 1 37 37 SER H H 1 8.219 . . . . . . . . 483 S H . 27186 1 201 . 1 1 37 37 SER HA H 1 4.528 . . . . . . . . 483 S HA . 27186 1 202 . 1 1 37 37 SER C C 13 174.376 . . . . . . . . 483 S CO . 27186 1 203 . 1 1 37 37 SER CA C 13 58.508 . . . . . . . . 483 S CA . 27186 1 204 . 1 1 37 37 SER CB C 13 64.173 . . . . . . . . 483 S CB . 27186 1 205 . 1 1 37 37 SER N N 15 116.275 . . . . . . . . 483 S N . 27186 1 206 . 1 1 38 38 ASP H H 1 8.390 . . . . . . . . 484 D H . 27186 1 207 . 1 1 38 38 ASP HA H 1 4.776 . . . . . . . . 484 D HA . 27186 1 208 . 1 1 38 38 ASP C C 13 175.726 . . . . . . . . 484 D CO . 27186 1 209 . 1 1 38 38 ASP CA C 13 54.536 . . . . . . . . 484 D CA . 27186 1 210 . 1 1 38 38 ASP CB C 13 41.340 . . . . . . . . 484 D CB . 27186 1 211 . 1 1 38 38 ASP N N 15 122.303 . . . . . . . . 484 D N . 27186 1 212 . 1 1 39 39 TRP H H 1 8.024 . . . . . . . . 485 W H . 27186 1 213 . 1 1 39 39 TRP HA H 1 4.700 . . . . . . . . 485 W HA . 27186 1 214 . 1 1 39 39 TRP C C 13 175.503 . . . . . . . . 485 W CO . 27186 1 215 . 1 1 39 39 TRP CA C 13 57.872 . . . . . . . . 485 W CA . 27186 1 216 . 1 1 39 39 TRP CB C 13 29.955 . . . . . . . . 485 W CB . 27186 1 217 . 1 1 39 39 TRP N N 15 121.634 . . . . . . . . 485 W N . 27186 1 218 . 1 1 40 40 GLU H H 1 7.794 . . . . . . . . 486 E H . 27186 1 219 . 1 1 40 40 GLU C C 13 173.494 . . . . . . . . 486 E CO . 27186 1 220 . 1 1 40 40 GLU CA C 13 53.954 . . . . . . . . 486 E CA . 27186 1 221 . 1 1 40 40 GLU CB C 13 30.578 . . . . . . . . 486 E CB . 27186 1 222 . 1 1 40 40 GLU N N 15 125.062 . . . . . . . . 486 E N . 27186 1 223 . 1 1 41 41 PRO HA H 1 4.284 . . . . . . . . 487 P HA . 27186 1 224 . 1 1 41 41 PRO C C 13 177.638 . . . . . . . . 487 P CO . 27186 1 225 . 1 1 41 41 PRO CA C 13 63.495 . . . . . . . . 487 P CA . 27186 1 226 . 1 1 41 41 PRO CB C 13 32.165 . . . . . . . . 487 P CB . 27186 1 227 . 1 1 42 42 GLY H H 1 8.550 . . . . . . . . 488 G H . 27186 1 228 . 1 1 42 42 GLY HA2 H 1 4.059 . . . . . . . . 488 G QA . 27186 1 229 . 1 1 42 42 GLY HA3 H 1 4.059 . . . . . . . . 488 G QA . 27186 1 230 . 1 1 42 42 GLY C C 13 174.430 . . . . . . . . 488 G CO . 27186 1 231 . 1 1 42 42 GLY CA C 13 45.483 . . . . . . . . 488 G CA . 27186 1 232 . 1 1 42 42 GLY N N 15 109.392 . . . . . . . . 488 G N . 27186 1 233 . 1 1 43 43 LYS H H 1 8.099 . . . . . . . . 489 K H . 27186 1 234 . 1 1 43 43 LYS HA H 1 4.437 . . . . . . . . 489 K HA . 27186 1 235 . 1 1 43 43 LYS C C 13 176.991 . . . . . . . . 489 K CO . 27186 1 236 . 1 1 43 43 LYS CA C 13 56.606 . . . . . . . . 489 K CA . 27186 1 237 . 1 1 43 43 LYS CB C 13 33.229 . . . . . . . . 489 K CB . 27186 1 238 . 1 1 43 43 LYS N N 15 121.138 . . . . . . . . 489 K N . 27186 1 239 . 1 1 44 44 GLU H H 1 8.639 . . . . . . . . 490 E H . 27186 1 240 . 1 1 44 44 GLU HA H 1 4.402 . . . . . . . . 490 E HA . 27186 1 241 . 1 1 44 44 GLU C C 13 176.427 . . . . . . . . 490 E CO . 27186 1 242 . 1 1 44 44 GLU CA C 13 56.841 . . . . . . . . 490 E CA . 27186 1 243 . 1 1 44 44 GLU CB C 13 30.155 . . . . . . . . 490 E CB . 27186 1 244 . 1 1 44 44 GLU N N 15 121.891 . . . . . . . . 490 E N . 27186 1 245 . 1 1 45 45 ASP H H 1 8.324 . . . . . . . . 491 D H . 27186 1 246 . 1 1 45 45 ASP HA H 1 4.817 . . . . . . . . 491 D HA . 27186 1 247 . 1 1 45 45 ASP C C 13 176.345 . . . . . . . . 491 D CO . 27186 1 248 . 1 1 45 45 ASP CA C 13 54.622 . . . . . . . . 491 D CA . 27186 1 249 . 1 1 45 45 ASP CB C 13 41.547 . . . . . . . . 491 D CB . 27186 1 250 . 1 1 45 45 ASP N N 15 120.868 . . . . . . . . 491 D N . 27186 1 251 . 1 1 46 46 GLU H H 1 8.260 . . . . . . . . 492 E H . 27186 1 252 . 1 1 46 46 GLU HA H 1 4.391 . . . . . . . . 492 E HA . 27186 1 253 . 1 1 46 46 GLU C C 13 176.551 . . . . . . . . 492 E CO . 27186 1 254 . 1 1 46 46 GLU CA C 13 56.845 . . . . . . . . 492 E CA . 27186 1 255 . 1 1 46 46 GLU CB C 13 30.704 . . . . . . . . 492 E CB . 27186 1 256 . 1 1 46 46 GLU N N 15 121.077 . . . . . . . . 492 E N . 27186 1 257 . 1 1 47 47 GLU H H 1 8.446 . . . . . . . . 493 E H . 27186 1 258 . 1 1 47 47 GLU HA H 1 4.410 . . . . . . . . 493 E HA . 27186 1 259 . 1 1 47 47 GLU C C 13 176.430 . . . . . . . . 493 E CO . 27186 1 260 . 1 1 47 47 GLU CA C 13 56.688 . . . . . . . . 493 E CA . 27186 1 261 . 1 1 47 47 GLU CB C 13 30.270 . . . . . . . . 493 E CB . 27186 1 262 . 1 1 47 47 GLU N N 15 121.983 . . . . . . . . 493 E N . 27186 1 263 . 1 1 48 48 LYS H H 1 8.271 . . . . . . . . 494 K H . 27186 1 264 . 1 1 48 48 LYS HA H 1 4.438 . . . . . . . . 494 K HA . 27186 1 265 . 1 1 48 48 LYS C C 13 176.508 . . . . . . . . 494 K CO . 27186 1 266 . 1 1 48 48 LYS CA C 13 56.454 . . . . . . . . 494 K CA . 27186 1 267 . 1 1 48 48 LYS CB C 13 33.572 . . . . . . . . 494 K CB . 27186 1 268 . 1 1 48 48 LYS N N 15 122.730 . . . . . . . . 494 K N . 27186 1 269 . 1 1 49 49 GLU H H 1 8.487 . . . . . . . . 495 E H . 27186 1 270 . 1 1 49 49 GLU HA H 1 4.386 . . . . . . . . 495 E HA . 27186 1 271 . 1 1 49 49 GLU C C 13 176.546 . . . . . . . . 495 E CO . 27186 1 272 . 1 1 49 49 GLU CA C 13 56.608 . . . . . . . . 495 E CA . 27186 1 273 . 1 1 49 49 GLU CB C 13 30.709 . . . . . . . . 495 E CB . 27186 1 274 . 1 1 49 49 GLU N N 15 122.243 . . . . . . . . 495 E N . 27186 1 275 . 1 1 50 50 ASP H H 1 8.391 . . . . . . . . 496 D H . 27186 1 276 . 1 1 50 50 ASP HA H 1 4.780 . . . . . . . . 496 D HA . 27186 1 277 . 1 1 50 50 ASP C C 13 176.490 . . . . . . . . 496 D CO . 27186 1 278 . 1 1 50 50 ASP CA C 13 54.503 . . . . . . . . 496 D CA . 27186 1 279 . 1 1 50 50 ASP CB C 13 41.360 . . . . . . . . 496 D CB . 27186 1 280 . 1 1 50 50 ASP N N 15 122.119 . . . . . . . . 496 D N . 27186 1 281 . 1 1 51 51 VAL H H 1 8.102 . . . . . . . . 497 V H . 27186 1 282 . 1 1 51 51 VAL HA H 1 4.192 . . . . . . . . 497 V HA . 27186 1 283 . 1 1 51 51 VAL C C 13 176.676 . . . . . . . . 497 V CO . 27186 1 284 . 1 1 51 51 VAL CA C 13 63.183 . . . . . . . . 497 V CA . 27186 1 285 . 1 1 51 51 VAL CB C 13 32.678 . . . . . . . . 497 V CB . 27186 1 286 . 1 1 51 51 VAL N N 15 120.508 . . . . . . . . 497 V N . 27186 1 287 . 1 1 52 52 GLU H H 1 8.430 . . . . . . . . 498 E H . 27186 1 288 . 1 1 52 52 GLU HA H 1 4.317 . . . . . . . . 498 E HA . 27186 1 289 . 1 1 52 52 GLU C C 13 177.538 . . . . . . . . 498 E CO . 27186 1 290 . 1 1 52 52 GLU CA C 13 58.006 . . . . . . . . 498 E CA . 27186 1 291 . 1 1 52 52 GLU CB C 13 30.182 . . . . . . . . 498 E CB . 27186 1 292 . 1 1 52 52 GLU N N 15 123.041 . . . . . . . . 498 E N . 27186 1 293 . 1 1 53 53 GLU H H 1 8.292 . . . . . . . . 499 E H . 27186 1 294 . 1 1 53 53 GLU HA H 1 4.296 . . . . . . . . 499 E HA . 27186 1 295 . 1 1 53 53 GLU C C 13 177.416 . . . . . . . . 499 E CO . 27186 1 296 . 1 1 53 53 GLU CA C 13 57.986 . . . . . . . . 499 E CA . 27186 1 297 . 1 1 53 53 GLU CB C 13 30.111 . . . . . . . . 499 E CB . 27186 1 298 . 1 1 53 53 GLU N N 15 121.229 . . . . . . . . 499 E N . 27186 1 299 . 1 1 54 54 LEU H H 1 8.108 . . . . . . . . 500 L H . 27186 1 300 . 1 1 54 54 LEU HA H 1 4.367 . . . . . . . . 500 L HA . 27186 1 301 . 1 1 54 54 LEU C C 13 178.423 . . . . . . . . 500 L CO . 27186 1 302 . 1 1 54 54 LEU CA C 13 56.594 . . . . . . . . 500 L CA . 27186 1 303 . 1 1 54 54 LEU CB C 13 42.321 . . . . . . . . 500 L CB . 27186 1 304 . 1 1 54 54 LEU N N 15 121.574 . . . . . . . . 500 L N . 27186 1 305 . 1 1 55 55 LEU H H 1 8.082 . . . . . . . . 501 L H . 27186 1 306 . 1 1 55 55 LEU HA H 1 4.380 . . . . . . . . 501 L HA . 27186 1 307 . 1 1 55 55 LEU C C 13 178.126 . . . . . . . . 501 L CO . 27186 1 308 . 1 1 55 55 LEU CA C 13 56.193 . . . . . . . . 501 L CA . 27186 1 309 . 1 1 55 55 LEU CB C 13 42.141 . . . . . . . . 501 L CB . 27186 1 310 . 1 1 55 55 LEU N N 15 121.195 . . . . . . . . 501 L N . 27186 1 311 . 1 1 56 56 LYS H H 1 8.008 . . . . . . . . 502 K H . 27186 1 312 . 1 1 56 56 LYS HA H 1 4.275 . . . . . . . . 502 K HA . 27186 1 313 . 1 1 56 56 LYS C C 13 177.618 . . . . . . . . 502 K CO . 27186 1 314 . 1 1 56 56 LYS CA C 13 57.942 . . . . . . . . 502 K CA . 27186 1 315 . 1 1 56 56 LYS CB C 13 32.900 . . . . . . . . 502 K CB . 27186 1 316 . 1 1 56 56 LYS N N 15 120.838 . . . . . . . . 502 K N . 27186 1 317 . 1 1 57 57 GLU H H 1 8.224 . . . . . . . . 503 E H . 27186 1 318 . 1 1 57 57 GLU HA H 1 4.322 . . . . . . . . 503 E HA . 27186 1 319 . 1 1 57 57 GLU C C 13 176.869 . . . . . . . . 503 E CO . 27186 1 320 . 1 1 57 57 GLU CA C 13 57.375 . . . . . . . . 503 E CA . 27186 1 321 . 1 1 57 57 GLU CB C 13 30.155 . . . . . . . . 503 E CB . 27186 1 322 . 1 1 57 57 GLU N N 15 120.378 . . . . . . . . 503 E N . 27186 1 323 . 1 1 58 58 ALA H H 1 8.109 . . . . . . . . 504 A H . 27186 1 324 . 1 1 58 58 ALA HA H 1 4.374 . . . . . . . . 504 A HA . 27186 1 325 . 1 1 58 58 ALA C C 13 178.548 . . . . . . . . 504 A CO . 27186 1 326 . 1 1 58 58 ALA CA C 13 53.445 . . . . . . . . 504 A CA . 27186 1 327 . 1 1 58 58 ALA CB C 13 19.187 . . . . . . . . 504 A CB . 27186 1 328 . 1 1 58 58 ALA N N 15 123.587 . . . . . . . . 504 A N . 27186 1 329 . 1 1 59 59 LYS H H 1 8.086 . . . . . . . . 505 K H . 27186 1 330 . 1 1 59 59 LYS HA H 1 4.356 . . . . . . . . 505 K HA . 27186 1 331 . 1 1 59 59 LYS C C 13 177.102 . . . . . . . . 505 K CO . 27186 1 332 . 1 1 59 59 LYS CA C 13 56.987 . . . . . . . . 505 K CA . 27186 1 333 . 1 1 59 59 LYS CB C 13 32.820 . . . . . . . . 505 K CB . 27186 1 334 . 1 1 59 59 LYS N N 15 118.885 . . . . . . . . 505 K N . 27186 1 335 . 1 1 60 60 ARG H H 1 8.002 . . . . . . . . 506 R H . 27186 1 336 . 1 1 60 60 ARG HA H 1 4.324 . . . . . . . . 506 R HA . 27186 1 337 . 1 1 60 60 ARG C C 13 176.370 . . . . . . . . 506 R CO . 27186 1 338 . 1 1 60 60 ARG CA C 13 56.906 . . . . . . . . 506 R CA . 27186 1 339 . 1 1 60 60 ARG CB C 13 30.799 . . . . . . . . 506 R CB . 27186 1 340 . 1 1 60 60 ARG N N 15 120.480 . . . . . . . . 506 R N . 27186 1 341 . 1 1 61 61 PHE H H 1 8.108 . . . . . . . . 507 F H . 27186 1 342 . 1 1 61 61 PHE HA H 1 4.775 . . . . . . . . 507 F HA . 27186 1 343 . 1 1 61 61 PHE C C 13 175.724 . . . . . . . . 507 F CO . 27186 1 344 . 1 1 61 61 PHE CA C 13 57.916 . . . . . . . . 507 F CA . 27186 1 345 . 1 1 61 61 PHE CB C 13 39.618 . . . . . . . . 507 F CB . 27186 1 346 . 1 1 61 61 PHE N N 15 119.837 . . . . . . . . 507 F N . 27186 1 347 . 1 1 62 62 MET H H 1 8.039 . . . . . . . . 508 M H . 27186 1 348 . 1 1 62 62 MET HA H 1 4.546 . . . . . . . . 508 M HA . 27186 1 349 . 1 1 62 62 MET C C 13 175.697 . . . . . . . . 508 M CO . 27186 1 350 . 1 1 62 62 MET CA C 13 55.736 . . . . . . . . 508 M CA . 27186 1 351 . 1 1 62 62 MET CB C 13 33.348 . . . . . . . . 508 M CB . 27186 1 352 . 1 1 62 62 MET N N 15 121.453 . . . . . . . . 508 M N . 27186 1 353 . 1 1 63 63 LYS H H 1 8.216 . . . . . . . . 509 K H . 27186 1 354 . 1 1 63 63 LYS HA H 1 4.411 . . . . . . . . 509 K HA . 27186 1 355 . 1 1 63 63 LYS C C 13 176.299 . . . . . . . . 509 K CO . 27186 1 356 . 1 1 63 63 LYS CA C 13 56.575 . . . . . . . . 509 K CA . 27186 1 357 . 1 1 63 63 LYS CB C 13 33.198 . . . . . . . . 509 K CB . 27186 1 358 . 1 1 63 63 LYS N N 15 122.681 . . . . . . . . 509 K N . 27186 1 359 . 1 1 64 64 ARG H H 1 8.341 . . . . . . . . 510 R H . 27186 1 360 . 1 1 64 64 ARG HA H 1 4.454 . . . . . . . . 510 R HA . 27186 1 361 . 1 1 64 64 ARG C C 13 175.373 . . . . . . . . 510 R CO . 27186 1 362 . 1 1 64 64 ARG CA C 13 56.441 . . . . . . . . 510 R CA . 27186 1 363 . 1 1 64 64 ARG CB C 13 31.139 . . . . . . . . 510 R CB . 27186 1 364 . 1 1 64 64 ARG N N 15 123.292 . . . . . . . . 510 R N . 27186 1 365 . 1 1 65 65 LYS H H 1 7.984 . . . . . . . . 511 K H . 27186 1 366 . 1 1 65 65 LYS C C 13 175.351 . . . . . . . . 511 K CO . 27186 1 367 . 1 1 65 65 LYS CA C 13 58.040 . . . . . . . . 511 K CA . 27186 1 368 . 1 1 65 65 LYS CB C 13 33.911 . . . . . . . . 511 K CB . 27186 1 369 . 1 1 65 65 LYS N N 15 127.850 . . . . . . . . 511 K N . 27186 1 stop_ save_