data_27616 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27616 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CBX8 chromodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-19 _Entry.Accession_date 2018-09-19 _Entry.Last_release_date 2018-09-19 _Entry.Original_release_date 2018-09-19 _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 Tyler Weaver . M. . . 27616 2 Catherine Musselman . A. . . 27616 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27616 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 101 27616 '15N chemical shifts' 49 27616 '1H chemical shifts' 49 27616 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 . . 2019-03-21 2018-09-19 update BMRB 'update entry citation' 27616 1 . . 2018-12-17 2018-09-19 original author 'original release' 27616 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27616 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gky1290 _Citation.PubMed_ID 30597065 _Citation.Full_citation . _Citation.Title ; Engagement of DNA and H3K27me3 by the CBX8 chromodomain drives chromatin association. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 47 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2289 _Citation.Page_last 2305 _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 Katelyn Connelly K. E. . . 27616 1 2 Tyler Weaver T. M. . . 27616 1 3 Aktan Alpsoy A. . . . 27616 1 4 Brian Gu B. X. . . 27616 1 5 Catherine Musselman C. A. . . 27616 1 6 Emily Dykhuizen E. C. . . 27616 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27616 _Assembly.ID 1 _Assembly.Name 'CBX8 CD' _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 'CBX8 CD' 1 $CBX8_CD A . yes native no no . . . 27616 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBX8_CD _Entity.Sf_category entity _Entity.Sf_framecode CBX8_CD _Entity.Entry_ID 27616 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBX8_CD _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 ; GERVFAAEALLKRRIRKGRM EYLVKWKGWSQKYSTWEPEE NILDARLLAAFEERE ; _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 55 _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 7 GLY . 27616 1 2 8 GLU . 27616 1 3 9 ARG . 27616 1 4 10 VAL . 27616 1 5 11 PHE . 27616 1 6 12 ALA . 27616 1 7 13 ALA . 27616 1 8 14 GLU . 27616 1 9 15 ALA . 27616 1 10 16 LEU . 27616 1 11 17 LEU . 27616 1 12 18 LYS . 27616 1 13 19 ARG . 27616 1 14 20 ARG . 27616 1 15 21 ILE . 27616 1 16 22 ARG . 27616 1 17 23 LYS . 27616 1 18 24 GLY . 27616 1 19 25 ARG . 27616 1 20 26 MET . 27616 1 21 27 GLU . 27616 1 22 28 TYR . 27616 1 23 29 LEU . 27616 1 24 30 VAL . 27616 1 25 31 LYS . 27616 1 26 32 TRP . 27616 1 27 33 LYS . 27616 1 28 34 GLY . 27616 1 29 35 TRP . 27616 1 30 36 SER . 27616 1 31 37 GLN . 27616 1 32 38 LYS . 27616 1 33 39 TYR . 27616 1 34 40 SER . 27616 1 35 41 THR . 27616 1 36 42 TRP . 27616 1 37 43 GLU . 27616 1 38 44 PRO . 27616 1 39 45 GLU . 27616 1 40 46 GLU . 27616 1 41 47 ASN . 27616 1 42 48 ILE . 27616 1 43 49 LEU . 27616 1 44 50 ASP . 27616 1 45 51 ALA . 27616 1 46 52 ARG . 27616 1 47 53 LEU . 27616 1 48 54 LEU . 27616 1 49 55 ALA . 27616 1 50 56 ALA . 27616 1 51 57 PHE . 27616 1 52 58 GLU . 27616 1 53 59 GLU . 27616 1 54 60 ARG . 27616 1 55 61 GLU . 27616 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 27616 1 . GLU 2 2 27616 1 . ARG 3 3 27616 1 . VAL 4 4 27616 1 . PHE 5 5 27616 1 . ALA 6 6 27616 1 . ALA 7 7 27616 1 . GLU 8 8 27616 1 . ALA 9 9 27616 1 . LEU 10 10 27616 1 . LEU 11 11 27616 1 . LYS 12 12 27616 1 . ARG 13 13 27616 1 . ARG 14 14 27616 1 . ILE 15 15 27616 1 . ARG 16 16 27616 1 . LYS 17 17 27616 1 . GLY 18 18 27616 1 . ARG 19 19 27616 1 . MET 20 20 27616 1 . GLU 21 21 27616 1 . TYR 22 22 27616 1 . LEU 23 23 27616 1 . VAL 24 24 27616 1 . LYS 25 25 27616 1 . TRP 26 26 27616 1 . LYS 27 27 27616 1 . GLY 28 28 27616 1 . TRP 29 29 27616 1 . SER 30 30 27616 1 . GLN 31 31 27616 1 . LYS 32 32 27616 1 . TYR 33 33 27616 1 . SER 34 34 27616 1 . THR 35 35 27616 1 . TRP 36 36 27616 1 . GLU 37 37 27616 1 . PRO 38 38 27616 1 . GLU 39 39 27616 1 . GLU 40 40 27616 1 . ASN 41 41 27616 1 . ILE 42 42 27616 1 . LEU 43 43 27616 1 . ASP 44 44 27616 1 . ALA 45 45 27616 1 . ARG 46 46 27616 1 . LEU 47 47 27616 1 . LEU 48 48 27616 1 . ALA 49 49 27616 1 . ALA 50 50 27616 1 . PHE 51 51 27616 1 . GLU 52 52 27616 1 . GLU 53 53 27616 1 . ARG 54 54 27616 1 . GLU 55 55 27616 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 27616 _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 $CBX8_CD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27616 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 27616 _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 $CBX8_CD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGSTag . . . 27616 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27616 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CBX8 CD' '[U-13C; U-15N]' . . 1 $CBX8_CD . . 275 . . uM . . . . 27616 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27616 1 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 27616 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 27616 _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' 0.14 . M 27616 1 pH 6.8 . pH 27616 1 pressure 1 . atm 27616 1 temperature 298 . K 27616 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27616 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27616 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27616 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 27616 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27616 _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 . 500 . . . 27616 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 27616 _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 . . . . . . . . . . . . . . . . 27616 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27616 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27616 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 27616 _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 na indirect 0.251449530 . . . . . 27616 1 H 1 water protons . . . . ppm 4.8 internal direct 1.000000000 . . . . . 27616 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27616 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 27616 _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' . . . 27616 1 2 '3D HNCACB' . . . 27616 1 3 '3D CBCA(CO)NH' . . . 27616 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 GLU CA C 13 56.390 0.003 . 1 . . . . . 8 E CA . 27616 1 2 . 1 1 2 2 GLU CB C 13 30.581 0.043 . 1 . . . . . 8 E CB . 27616 1 3 . 1 1 3 3 ARG H H 1 8.486 0.001 . 1 . . . . . 9 R HN . 27616 1 4 . 1 1 3 3 ARG CA C 13 56.095 0.083 . 1 . . . . . 9 R CA . 27616 1 5 . 1 1 3 3 ARG CB C 13 30.801 0.017 . 1 . . . . . 9 R CB . 27616 1 6 . 1 1 3 3 ARG N N 15 122.637 0.000 . 1 . . . . . 9 R N . 27616 1 7 . 1 1 4 4 VAL H H 1 8.067 0.013 . 1 . . . . . 10 V HN . 27616 1 8 . 1 1 4 4 VAL CA C 13 61.909 0.014 . 1 . . . . . 10 V CA . 27616 1 9 . 1 1 4 4 VAL CB C 13 33.151 0.067 . 1 . . . . . 10 V CB . 27616 1 10 . 1 1 4 4 VAL N N 15 122.008 0.036 . 1 . . . . . 10 V N . 27616 1 11 . 1 1 5 5 PHE H H 1 8.439 0.004 . 1 . . . . . 11 F HN . 27616 1 12 . 1 1 5 5 PHE CA C 13 57.142 0.005 . 1 . . . . . 11 F CA . 27616 1 13 . 1 1 5 5 PHE CB C 13 39.576 0.011 . 1 . . . . . 11 F CB . 27616 1 14 . 1 1 5 5 PHE N N 15 125.514 0.003 . 1 . . . . . 11 F N . 27616 1 15 . 1 1 6 6 ALA H H 1 9.026 0.001 . 1 . . . . . 12 A HN . 27616 1 16 . 1 1 6 6 ALA CA C 13 51.171 0.024 . 1 . . . . . 12 A CA . 27616 1 17 . 1 1 6 6 ALA CB C 13 20.659 0.008 . 1 . . . . . 12 A CB . 27616 1 18 . 1 1 6 6 ALA N N 15 126.926 0.001 . 1 . . . . . 12 A N . 27616 1 19 . 1 1 7 7 ALA H H 1 8.945 0.001 . 1 . . . . . 13 A HN . 27616 1 20 . 1 1 7 7 ALA CA C 13 53.350 0.001 . 1 . . . . . 13 A CA . 27616 1 21 . 1 1 7 7 ALA CB C 13 19.456 0.039 . 1 . . . . . 13 A CB . 27616 1 22 . 1 1 7 7 ALA N N 15 126.720 0.005 . 1 . . . . . 13 A N . 27616 1 23 . 1 1 8 8 GLU H H 1 9.416 0.003 . 1 . . . . . 14 E HN . 27616 1 24 . 1 1 8 8 GLU CA C 13 56.682 0.021 . 1 . . . . . 14 E CA . 27616 1 25 . 1 1 8 8 GLU CB C 13 32.679 0.008 . 1 . . . . . 14 E CB . 27616 1 26 . 1 1 8 8 GLU N N 15 122.906 0.002 . 1 . . . . . 14 E N . 27616 1 27 . 1 1 9 9 ALA H H 1 7.808 0.001 . 1 . . . . . 15 A HN . 27616 1 28 . 1 1 9 9 ALA CA C 13 51.597 0.022 . 1 . . . . . 15 A CA . 27616 1 29 . 1 1 9 9 ALA CB C 13 22.290 0.000 . 1 . . . . . 15 A CB . 27616 1 30 . 1 1 9 9 ALA N N 15 117.200 0.000 . 1 . . . . . 15 A N . 27616 1 31 . 1 1 10 10 LEU H H 1 8.590 0.001 . 1 . . . . . 16 L HN . 27616 1 32 . 1 1 10 10 LEU CA C 13 52.854 0.044 . 1 . . . . . 16 L CA . 27616 1 33 . 1 1 10 10 LEU CB C 13 41.095 0.029 . 1 . . . . . 16 L CB . 27616 1 34 . 1 1 10 10 LEU N N 15 119.219 0.007 . 1 . . . . . 16 L N . 27616 1 35 . 1 1 11 11 LEU H H 1 9.299 0.001 . 1 . . . . . 17 L HN . 27616 1 36 . 1 1 11 11 LEU CA C 13 56.650 0.026 . 1 . . . . . 17 L CA . 27616 1 37 . 1 1 11 11 LEU CB C 13 43.459 0.051 . 1 . . . . . 17 L CB . 27616 1 38 . 1 1 11 11 LEU N N 15 121.161 0.002 . 1 . . . . . 17 L N . 27616 1 39 . 1 1 12 12 LYS H H 1 7.270 0.000 . 1 . . . . . 18 K HN . 27616 1 40 . 1 1 12 12 LYS CA C 13 55.189 0.002 . 1 . . . . . 18 K CA . 27616 1 41 . 1 1 12 12 LYS CB C 13 38.173 0.041 . 1 . . . . . 18 K CB . 27616 1 42 . 1 1 12 12 LYS N N 15 114.174 0.000 . 1 . . . . . 18 K N . 27616 1 43 . 1 1 13 13 ARG H H 1 9.047 0.002 . 1 . . . . . 19 R HN . 27616 1 44 . 1 1 13 13 ARG CA C 13 54.773 0.021 . 1 . . . . . 19 R CA . 27616 1 45 . 1 1 13 13 ARG CB C 13 34.479 0.003 . 1 . . . . . 19 R CB . 27616 1 46 . 1 1 13 13 ARG N N 15 121.435 0.000 . 1 . . . . . 19 R N . 27616 1 47 . 1 1 14 14 ARG H H 1 9.209 0.003 . 1 . . . . . 20 R HN . 27616 1 48 . 1 1 14 14 ARG CA C 13 54.292 0.063 . 1 . . . . . 20 R CA . 27616 1 49 . 1 1 14 14 ARG CB C 13 32.716 0.002 . 1 . . . . . 20 R CB . 27616 1 50 . 1 1 14 14 ARG N N 15 121.533 0.000 . 1 . . . . . 20 R N . 27616 1 51 . 1 1 15 15 ILE H H 1 8.314 0.002 . 1 . . . . . 21 I HN . 27616 1 52 . 1 1 15 15 ILE CA C 13 59.747 0.004 . 1 . . . . . 21 I CA . 27616 1 53 . 1 1 15 15 ILE CB C 13 38.413 0.012 . 1 . . . . . 21 I CB . 27616 1 54 . 1 1 15 15 ILE N N 15 120.125 0.005 . 1 . . . . . 21 I N . 27616 1 55 . 1 1 16 16 ARG H H 1 8.929 0.001 . 1 . . . . . 22 R HN . 27616 1 56 . 1 1 16 16 ARG CA C 13 55.023 0.000 . 1 . . . . . 22 R CA . 27616 1 57 . 1 1 16 16 ARG CB C 13 33.335 0.000 . 1 . . . . . 22 R CB . 27616 1 58 . 1 1 16 16 ARG N N 15 128.679 0.004 . 1 . . . . . 22 R N . 27616 1 59 . 1 1 18 18 GLY H H 1 8.087 0.003 . 1 . . . . . 24 G HN . 27616 1 60 . 1 1 18 18 GLY CA C 13 45.608 0.055 . 1 . . . . . 24 G CA . 27616 1 61 . 1 1 18 18 GLY N N 15 102.859 0.000 . 1 . . . . . 24 G N . 27616 1 62 . 1 1 19 19 ARG H H 1 7.760 0.003 . 1 . . . . . 25 R HN . 27616 1 63 . 1 1 19 19 ARG CA C 13 54.235 0.011 . 1 . . . . . 25 R CA . 27616 1 64 . 1 1 19 19 ARG CB C 13 32.777 0.007 . 1 . . . . . 25 R CB . 27616 1 65 . 1 1 19 19 ARG N N 15 120.413 0.000 . 1 . . . . . 25 R N . 27616 1 66 . 1 1 20 20 MET H H 1 8.756 0.004 . 1 . . . . . 26 M HN . 27616 1 67 . 1 1 20 20 MET CA C 13 55.118 0.028 . 1 . . . . . 26 M CA . 27616 1 68 . 1 1 20 20 MET CB C 13 33.005 0.039 . 1 . . . . . 26 M CB . 27616 1 69 . 1 1 20 20 MET N N 15 122.279 0.000 . 1 . . . . . 26 M N . 27616 1 70 . 1 1 21 21 GLU H H 1 9.108 0.002 . 1 . . . . . 27 E HN . 27616 1 71 . 1 1 21 21 GLU CA C 13 54.152 0.033 . 1 . . . . . 27 E CA . 27616 1 72 . 1 1 21 21 GLU CB C 13 34.936 0.016 . 1 . . . . . 27 E CB . 27616 1 73 . 1 1 21 21 GLU N N 15 124.069 0.000 . 1 . . . . . 27 E N . 27616 1 74 . 1 1 22 22 TYR H H 1 9.343 0.003 . 1 . . . . . 28 Y HN . 27616 1 75 . 1 1 22 22 TYR CA C 13 56.191 0.000 . 1 . . . . . 28 Y CA . 27616 1 76 . 1 1 22 22 TYR CB C 13 42.974 0.072 . 1 . . . . . 28 Y CB . 27616 1 77 . 1 1 22 22 TYR N N 15 117.434 0.006 . 1 . . . . . 28 Y N . 27616 1 78 . 1 1 23 23 LEU H H 1 7.963 0.003 . 1 . . . . . 29 L HN . 27616 1 79 . 1 1 23 23 LEU CA C 13 53.609 0.094 . 1 . . . . . 29 L CA . 27616 1 80 . 1 1 23 23 LEU CB C 13 40.471 0.072 . 1 . . . . . 29 L CB . 27616 1 81 . 1 1 23 23 LEU N N 15 126.693 0.000 . 1 . . . . . 29 L N . 27616 1 82 . 1 1 24 24 VAL H H 1 8.916 0.002 . 1 . . . . . 30 V HN . 27616 1 83 . 1 1 24 24 VAL CA C 13 62.772 0.070 . 1 . . . . . 30 V CA . 27616 1 84 . 1 1 24 24 VAL CB C 13 33.538 0.023 . 1 . . . . . 30 V CB . 27616 1 85 . 1 1 24 24 VAL N N 15 130.911 0.000 . 1 . . . . . 30 V N . 27616 1 86 . 1 1 25 25 LYS H H 1 8.171 0.003 . 1 . . . . . 31 K HN . 27616 1 87 . 1 1 25 25 LYS CA C 13 53.906 0.087 . 1 . . . . . 31 K CA . 27616 1 88 . 1 1 25 25 LYS CB C 13 33.870 0.066 . 1 . . . . . 31 K CB . 27616 1 89 . 1 1 25 25 LYS N N 15 125.286 0.003 . 1 . . . . . 31 K N . 27616 1 90 . 1 1 26 26 TRP H H 1 8.849 0.001 . 1 . . . . . 32 W HN . 27616 1 91 . 1 1 26 26 TRP CA C 13 55.903 0.012 . 1 . . . . . 32 W CA . 27616 1 92 . 1 1 26 26 TRP CB C 13 31.242 0.033 . 1 . . . . . 32 W CB . 27616 1 93 . 1 1 26 26 TRP N N 15 132.152 0.000 . 1 . . . . . 32 W N . 27616 1 94 . 1 1 27 27 LYS H H 1 9.415 0.002 . 1 . . . . . 33 K HN . 27616 1 95 . 1 1 27 27 LYS CA C 13 58.144 0.021 . 1 . . . . . 33 K CA . 27616 1 96 . 1 1 27 27 LYS CB C 13 32.820 0.038 . 1 . . . . . 33 K CB . 27616 1 97 . 1 1 27 27 LYS N N 15 124.797 0.000 . 1 . . . . . 33 K N . 27616 1 98 . 1 1 28 28 GLY H H 1 9.285 0.002 . 1 . . . . . 34 G HN . 27616 1 99 . 1 1 28 28 GLY CA C 13 45.293 0.008 . 1 . . . . . 34 G CA . 27616 1 100 . 1 1 28 28 GLY N N 15 113.837 0.000 . 1 . . . . . 34 G N . 27616 1 101 . 1 1 29 29 TRP H H 1 7.750 0.002 . 1 . . . . . 35 W HN . 27616 1 102 . 1 1 29 29 TRP CA C 13 55.525 0.047 . 1 . . . . . 35 W CA . 27616 1 103 . 1 1 29 29 TRP CB C 13 32.333 0.065 . 1 . . . . . 35 W CB . 27616 1 104 . 1 1 29 29 TRP N N 15 119.758 0.000 . 1 . . . . . 35 W N . 27616 1 105 . 1 1 30 30 SER H H 1 8.904 0.006 . 1 . . . . . 36 S HN . 27616 1 106 . 1 1 30 30 SER CA C 13 58.417 0.000 . 1 . . . . . 36 S CA . 27616 1 107 . 1 1 30 30 SER CB C 13 64.209 0.000 . 1 . . . . . 36 S CB . 27616 1 108 . 1 1 30 30 SER N N 15 117.410 0.000 . 1 . . . . . 36 S N . 27616 1 109 . 1 1 32 32 LYS CB C 13 31.723 0.099 . 1 . . . . . 38 K CB . 27616 1 110 . 1 1 33 33 TYR H H 1 7.976 0.001 . 1 . . . . . 39 Y HN . 27616 1 111 . 1 1 33 33 TYR CA C 13 58.215 0.040 . 1 . . . . . 39 Y CA . 27616 1 112 . 1 1 33 33 TYR CB C 13 38.338 0.031 . 1 . . . . . 39 Y CB . 27616 1 113 . 1 1 33 33 TYR N N 15 117.667 0.000 . 1 . . . . . 39 Y N . 27616 1 114 . 1 1 34 34 SER H H 1 7.592 0.002 . 1 . . . . . 40 S HN . 27616 1 115 . 1 1 34 34 SER CA C 13 60.738 0.032 . 1 . . . . . 40 S CA . 27616 1 116 . 1 1 34 34 SER CB C 13 63.731 0.026 . 1 . . . . . 40 S CB . 27616 1 117 . 1 1 34 34 SER N N 15 116.747 0.000 . 1 . . . . . 40 S N . 27616 1 118 . 1 1 35 35 THR H H 1 7.934 0.001 . 1 . . . . . 41 T HN . 27616 1 119 . 1 1 35 35 THR CA C 13 59.658 0.016 . 1 . . . . . 41 T CA . 27616 1 120 . 1 1 35 35 THR CB C 13 71.736 0.000 . 1 . . . . . 41 T CB . 27616 1 121 . 1 1 35 35 THR N N 15 113.552 0.000 . 1 . . . . . 41 T N . 27616 1 122 . 1 1 36 36 TRP H H 1 8.613 0.001 . 1 . . . . . 42 W HN . 27616 1 123 . 1 1 36 36 TRP CA C 13 56.626 0.031 . 1 . . . . . 42 W CA . 27616 1 124 . 1 1 36 36 TRP CB C 13 29.529 0.019 . 1 . . . . . 42 W CB . 27616 1 125 . 1 1 36 36 TRP N N 15 123.055 0.006 . 1 . . . . . 42 W N . 27616 1 126 . 1 1 37 37 GLU H H 1 9.744 0.005 . 1 . . . . . 43 E HN . 27616 1 127 . 1 1 37 37 GLU CA C 13 52.111 0.000 . 1 . . . . . 43 E CA . 27616 1 128 . 1 1 37 37 GLU CB C 13 32.404 0.000 . 1 . . . . . 43 E CB . 27616 1 129 . 1 1 37 37 GLU N N 15 124.565 0.000 . 1 . . . . . 43 E N . 27616 1 130 . 1 1 38 38 PRO CA C 13 62.385 0.000 . 1 . . . . . 44 P CA . 27616 1 131 . 1 1 38 38 PRO CB C 13 32.532 0.000 . 1 . . . . . 44 P CB . 27616 1 132 . 1 1 39 39 GLU H H 1 8.620 0.002 . 1 . . . . . 45 E HN . 27616 1 133 . 1 1 39 39 GLU CA C 13 60.314 0.004 . 1 . . . . . 45 E CA . 27616 1 134 . 1 1 39 39 GLU CB C 13 30.563 0.004 . 1 . . . . . 45 E CB . 27616 1 135 . 1 1 39 39 GLU N N 15 121.088 0.007 . 1 . . . . . 45 E N . 27616 1 136 . 1 1 40 40 GLU H H 1 9.657 0.002 . 1 . . . . . 46 E HN . 27616 1 137 . 1 1 40 40 GLU CA C 13 58.557 0.058 . 1 . . . . . 46 E CA . 27616 1 138 . 1 1 40 40 GLU CB C 13 28.487 0.032 . 1 . . . . . 46 E CB . 27616 1 139 . 1 1 40 40 GLU N N 15 116.921 0.003 . 1 . . . . . 46 E N . 27616 1 140 . 1 1 41 41 ASN H H 1 8.054 0.002 . 1 . . . . . 47 N HN . 27616 1 141 . 1 1 41 41 ASN CA C 13 52.473 0.069 . 1 . . . . . 47 N CA . 27616 1 142 . 1 1 41 41 ASN CB C 13 38.549 0.002 . 1 . . . . . 47 N CB . 27616 1 143 . 1 1 41 41 ASN N N 15 117.690 0.000 . 1 . . . . . 47 N N . 27616 1 144 . 1 1 42 42 ILE H H 1 7.711 0.001 . 1 . . . . . 48 I HN . 27616 1 145 . 1 1 42 42 ILE CA C 13 60.376 0.023 . 1 . . . . . 48 I CA . 27616 1 146 . 1 1 42 42 ILE CB C 13 35.935 0.022 . 1 . . . . . 48 I CB . 27616 1 147 . 1 1 42 42 ILE N N 15 122.053 0.007 . 1 . . . . . 48 I N . 27616 1 148 . 1 1 43 43 LEU H H 1 8.063 0.001 . 1 . . . . . 49 L HN . 27616 1 149 . 1 1 43 43 LEU CA C 13 55.770 0.001 . 1 . . . . . 49 L CA . 27616 1 150 . 1 1 43 43 LEU CB C 13 41.386 0.031 . 1 . . . . . 49 L CB . 27616 1 151 . 1 1 43 43 LEU N N 15 124.535 0.005 . 1 . . . . . 49 L N . 27616 1 152 . 1 1 44 44 ASP H H 1 7.233 0.001 . 1 . . . . . 50 D HN . 27616 1 153 . 1 1 44 44 ASP CA C 13 52.945 0.016 . 1 . . . . . 50 D CA . 27616 1 154 . 1 1 44 44 ASP CB C 13 40.865 0.000 . 1 . . . . . 50 D CB . 27616 1 155 . 1 1 44 44 ASP N N 15 117.970 0.006 . 1 . . . . . 50 D N . 27616 1 156 . 1 1 45 45 ALA H H 1 8.561 0.001 . 1 . . . . . 51 A HN . 27616 1 157 . 1 1 45 45 ALA CA C 13 54.821 0.012 . 1 . . . . . 51 A CA . 27616 1 158 . 1 1 45 45 ALA CB C 13 18.655 0.008 . 1 . . . . . 51 A CB . 27616 1 159 . 1 1 45 45 ALA N N 15 128.184 0.001 . 1 . . . . . 51 A N . 27616 1 160 . 1 1 46 46 ARG H H 1 8.287 0.001 . 1 . . . . . 52 R HN . 27616 1 161 . 1 1 46 46 ARG CA C 13 58.835 0.022 . 1 . . . . . 52 R CA . 27616 1 162 . 1 1 46 46 ARG CB C 13 29.440 0.034 . 1 . . . . . 52 R CB . 27616 1 163 . 1 1 46 46 ARG N N 15 118.233 0.000 . 1 . . . . . 52 R N . 27616 1 164 . 1 1 47 47 LEU H H 1 7.581 0.000 . 1 . . . . . 53 L HN . 27616 1 165 . 1 1 47 47 LEU CA C 13 57.249 0.018 . 1 . . . . . 53 L CA . 27616 1 166 . 1 1 47 47 LEU CB C 13 41.913 0.005 . 1 . . . . . 53 L CB . 27616 1 167 . 1 1 47 47 LEU N N 15 119.342 0.003 . 1 . . . . . 53 L N . 27616 1 168 . 1 1 48 48 LEU H H 1 7.042 0.001 . 1 . . . . . 54 L HN . 27616 1 169 . 1 1 48 48 LEU CA C 13 57.507 0.022 . 1 . . . . . 54 L CA . 27616 1 170 . 1 1 48 48 LEU CB C 13 41.969 0.037 . 1 . . . . . 54 L CB . 27616 1 171 . 1 1 48 48 LEU N N 15 118.062 0.000 . 1 . . . . . 54 L N . 27616 1 172 . 1 1 49 49 ALA H H 1 7.711 0.002 . 1 . . . . . 55 A HN . 27616 1 173 . 1 1 49 49 ALA CA C 13 54.544 0.006 . 1 . . . . . 55 A CA . 27616 1 174 . 1 1 49 49 ALA CB C 13 18.233 0.007 . 1 . . . . . 55 A CB . 27616 1 175 . 1 1 49 49 ALA N N 15 120.857 0.008 . 1 . . . . . 55 A N . 27616 1 176 . 1 1 50 50 ALA H H 1 7.490 0.001 . 1 . . . . . 56 A HN . 27616 1 177 . 1 1 50 50 ALA CA C 13 52.937 0.000 . 1 . . . . . 56 A CA . 27616 1 178 . 1 1 50 50 ALA CB C 13 18.698 0.000 . 1 . . . . . 56 A CB . 27616 1 179 . 1 1 50 50 ALA N N 15 118.045 0.000 . 1 . . . . . 56 A N . 27616 1 180 . 1 1 51 51 PHE H H 1 7.384 0.000 . 1 . . . . . 57 F HN . 27616 1 181 . 1 1 51 51 PHE CA C 13 60.291 0.007 . 1 . . . . . 57 F CA . 27616 1 182 . 1 1 51 51 PHE CB C 13 39.724 0.028 . 1 . . . . . 57 F CB . 27616 1 183 . 1 1 51 51 PHE N N 15 119.262 0.003 . 1 . . . . . 57 F N . 27616 1 184 . 1 1 52 52 GLU H H 1 7.728 0.001 . 1 . . . . . 58 E HN . 27616 1 185 . 1 1 52 52 GLU CA C 13 56.277 0.006 . 1 . . . . . 58 E CA . 27616 1 186 . 1 1 52 52 GLU CB C 13 31.071 0.001 . 1 . . . . . 58 E CB . 27616 1 187 . 1 1 52 52 GLU N N 15 122.701 0.001 . 1 . . . . . 58 E N . 27616 1 188 . 1 1 53 53 GLU H H 1 8.041 0.001 . 1 . . . . . 59 E HN . 27616 1 189 . 1 1 53 53 GLU CA C 13 56.834 0.000 . 1 . . . . . 59 E CA . 27616 1 190 . 1 1 53 53 GLU CB C 13 30.035 0.010 . 1 . . . . . 59 E CB . 27616 1 191 . 1 1 53 53 GLU N N 15 120.876 0.000 . 1 . . . . . 59 E N . 27616 1 192 . 1 1 54 54 ARG H H 1 8.066 0.001 . 1 . . . . . 60 R HN . 27616 1 193 . 1 1 54 54 ARG CA C 13 56.083 0.000 . 1 . . . . . 60 R CA . 27616 1 194 . 1 1 54 54 ARG CB C 13 31.292 0.010 . 1 . . . . . 60 R CB . 27616 1 195 . 1 1 54 54 ARG N N 15 122.310 0.000 . 1 . . . . . 60 R N . 27616 1 196 . 1 1 55 55 GLU H H 1 7.983 0.001 . 1 . . . . . 61 E HN . 27616 1 197 . 1 1 55 55 GLU CA C 13 58.213 0.000 . 1 . . . . . 61 E CA . 27616 1 198 . 1 1 55 55 GLU CB C 13 31.088 0.000 . 1 . . . . . 61 E CB . 27616 1 199 . 1 1 55 55 GLU N N 15 126.951 0.000 . 1 . . . . . 61 E N . 27616 1 stop_ save_