data_53698 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53698 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for the chromoshadow domain and C-terminal extension (residue 112-191) of human heterochromatin protein 1alpha (HP1alpha). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-03-27 _Entry.Accession_date 2026-03-27 _Entry.Last_release_date 2026-03-27 _Entry.Original_release_date 2026-03-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rushabh Bhakta . . . . 53698 2 Galia Debelouchina . T. . . 53698 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53698 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 98 53698 '15N chemical shifts' 73 53698 '1H chemical shifts' 73 53698 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-06-02 . original BMRB . 53698 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53698 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ki-67 regulates heterochromatin organization in neurons and forms condensates with heterochromatic components ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Lannah Abasi . S. . . 53698 1 2 Challana Tea . . . . 53698 1 3 Rushabh Bhakta . . . . 53698 1 4 Donald Le . . . . 53698 1 5 Tien Phan . M. . . 53698 1 6 Jeetain Mittal . . . . 53698 1 7 Cole Ferguson . J. . . 53698 1 8 Galia Debelouchina . T. . . 53698 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53698 _Assembly.ID 1 _Assembly.Name 'HP1alpha CSD-CTE' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HP1alpha CSD-CTE' 1 $entity_1 . . yes native no no . . . 53698 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53698 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DIARGFERGLEPEKIIGATD SCGDLMFLMKWKDTDEADLV LAKEANVKCPQIVIAFYEER LTWHAYPEDAENKEKETAKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 112 ASP . 53698 1 2 113 ILE . 53698 1 3 114 ALA . 53698 1 4 115 ARG . 53698 1 5 116 GLY . 53698 1 6 117 PHE . 53698 1 7 118 GLU . 53698 1 8 119 ARG . 53698 1 9 120 GLY . 53698 1 10 121 LEU . 53698 1 11 122 GLU . 53698 1 12 123 PRO . 53698 1 13 124 GLU . 53698 1 14 125 LYS . 53698 1 15 126 ILE . 53698 1 16 127 ILE . 53698 1 17 128 GLY . 53698 1 18 129 ALA . 53698 1 19 130 THR . 53698 1 20 131 ASP . 53698 1 21 132 SER . 53698 1 22 133 CYS . 53698 1 23 134 GLY . 53698 1 24 135 ASP . 53698 1 25 136 LEU . 53698 1 26 137 MET . 53698 1 27 138 PHE . 53698 1 28 139 LEU . 53698 1 29 140 MET . 53698 1 30 141 LYS . 53698 1 31 142 TRP . 53698 1 32 143 LYS . 53698 1 33 144 ASP . 53698 1 34 145 THR . 53698 1 35 146 ASP . 53698 1 36 147 GLU . 53698 1 37 148 ALA . 53698 1 38 149 ASP . 53698 1 39 150 LEU . 53698 1 40 151 VAL . 53698 1 41 152 LEU . 53698 1 42 153 ALA . 53698 1 43 154 LYS . 53698 1 44 155 GLU . 53698 1 45 156 ALA . 53698 1 46 157 ASN . 53698 1 47 158 VAL . 53698 1 48 159 LYS . 53698 1 49 160 CYS . 53698 1 50 161 PRO . 53698 1 51 162 GLN . 53698 1 52 163 ILE . 53698 1 53 164 VAL . 53698 1 54 165 ILE . 53698 1 55 166 ALA . 53698 1 56 167 PHE . 53698 1 57 168 TYR . 53698 1 58 169 GLU . 53698 1 59 170 GLU . 53698 1 60 171 ARG . 53698 1 61 172 LEU . 53698 1 62 173 THR . 53698 1 63 174 TRP . 53698 1 64 175 HIS . 53698 1 65 176 ALA . 53698 1 66 177 TYR . 53698 1 67 178 PRO . 53698 1 68 179 GLU . 53698 1 69 180 ASP . 53698 1 70 181 ALA . 53698 1 71 182 GLU . 53698 1 72 183 ASN . 53698 1 73 184 LYS . 53698 1 74 185 GLU . 53698 1 75 186 LYS . 53698 1 76 187 GLU . 53698 1 77 188 THR . 53698 1 78 189 ALA . 53698 1 79 190 LYS . 53698 1 80 191 SER . 53698 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 . ASP 1 1 53698 1 . ILE 2 2 53698 1 . ALA 3 3 53698 1 . ARG 4 4 53698 1 . GLY 5 5 53698 1 . PHE 6 6 53698 1 . GLU 7 7 53698 1 . ARG 8 8 53698 1 . GLY 9 9 53698 1 . LEU 10 10 53698 1 . GLU 11 11 53698 1 . PRO 12 12 53698 1 . GLU 13 13 53698 1 . LYS 14 14 53698 1 . ILE 15 15 53698 1 . ILE 16 16 53698 1 . GLY 17 17 53698 1 . ALA 18 18 53698 1 . THR 19 19 53698 1 . ASP 20 20 53698 1 . SER 21 21 53698 1 . CYS 22 22 53698 1 . GLY 23 23 53698 1 . ASP 24 24 53698 1 . LEU 25 25 53698 1 . MET 26 26 53698 1 . PHE 27 27 53698 1 . LEU 28 28 53698 1 . MET 29 29 53698 1 . LYS 30 30 53698 1 . TRP 31 31 53698 1 . LYS 32 32 53698 1 . ASP 33 33 53698 1 . THR 34 34 53698 1 . ASP 35 35 53698 1 . GLU 36 36 53698 1 . ALA 37 37 53698 1 . ASP 38 38 53698 1 . LEU 39 39 53698 1 . VAL 40 40 53698 1 . LEU 41 41 53698 1 . ALA 42 42 53698 1 . LYS 43 43 53698 1 . GLU 44 44 53698 1 . ALA 45 45 53698 1 . ASN 46 46 53698 1 . VAL 47 47 53698 1 . LYS 48 48 53698 1 . CYS 49 49 53698 1 . PRO 50 50 53698 1 . GLN 51 51 53698 1 . ILE 52 52 53698 1 . VAL 53 53 53698 1 . ILE 54 54 53698 1 . ALA 55 55 53698 1 . PHE 56 56 53698 1 . TYR 57 57 53698 1 . GLU 58 58 53698 1 . GLU 59 59 53698 1 . ARG 60 60 53698 1 . LEU 61 61 53698 1 . THR 62 62 53698 1 . TRP 63 63 53698 1 . HIS 64 64 53698 1 . ALA 65 65 53698 1 . TYR 66 66 53698 1 . PRO 67 67 53698 1 . GLU 68 68 53698 1 . ASP 69 69 53698 1 . ALA 70 70 53698 1 . GLU 71 71 53698 1 . ASN 72 72 53698 1 . LYS 73 73 53698 1 . GLU 74 74 53698 1 . LYS 75 75 53698 1 . GLU 76 76 53698 1 . THR 77 77 53698 1 . ALA 78 78 53698 1 . LYS 79 79 53698 1 . SER 80 80 53698 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53698 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53698 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53698 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET (2B-T)' . . . 53698 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53698 _Sample.ID 1 _Sample.Name 'HP1alpha CSD-CTE' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HP1alpha CSD-CTE' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 640 . . uM . . . . 53698 1 2 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 53698 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53698 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53698 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53698 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 53698 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'HP1alpha CSD-CTE' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 53698 1 pressure 1 . atm 53698 1 temperature 298 . K 53698 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53698 _Software.ID 1 _Software.Type . _Software.Name POKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53698 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53698 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53698 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53698 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53698 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53698 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53698 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53698 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'HP1alpha CSD-CTE' _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 na na . . . . na 0 na indirect 0.251449537 . . . . . 53698 1 H 1 water protons . . . . ppm 4.713 internal direct 1.000000000 . . . . . 53698 1 N 15 na na . . . . na 0.00 na indirect 0.101329118 . . . . . 53698 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53698 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'HP1alpha CSD-CTE' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53698 1 2 '3D HNCACB' . . . 53698 1 3 '3D CBCA(CO)NH' . . . 53698 1 4 '3D HNCA' . . . 53698 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53698 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASP CA C 13 51.920 0.00 . 1 . . . . . 112 ASP CA . 53698 1 2 . 1 . 1 1 1 ASP CB C 13 38.496 0.00 . 1 . . . . . 112 ASP CB . 53698 1 3 . 1 . 1 2 2 ILE H H 1 7.982 0.00 . 1 . . . . . 113 ILE H . 53698 1 4 . 1 . 1 2 2 ILE CA C 13 58.355 0.00 . 1 . . . . . 113 ILE CA . 53698 1 5 . 1 . 1 2 2 ILE CB C 13 36.450 0.00 . 1 . . . . . 113 ILE CB . 53698 1 6 . 1 . 1 2 2 ILE N N 15 119.108 0.00 . 1 . . . . . 113 ILE N . 53698 1 7 . 1 . 1 3 3 ALA H H 1 8.170 0.00 . 1 . . . . . 114 ALA H . 53698 1 8 . 1 . 1 3 3 ALA CA C 13 49.141 0.00 . 1 . . . . . 114 ALA CA . 53698 1 9 . 1 . 1 3 3 ALA CB C 13 16.009 0.00 . 1 . . . . . 114 ALA CB . 53698 1 10 . 1 . 1 3 3 ALA N N 15 127.414 0.00 . 1 . . . . . 114 ALA N . 53698 1 11 . 1 . 1 4 4 ARG H H 1 8.352 0.00 . 1 . . . . . 115 ARG H . 53698 1 12 . 1 . 1 4 4 ARG CA C 13 51.887 0.00 . 1 . . . . . 115 ARG CA . 53698 1 13 . 1 . 1 4 4 ARG CB C 13 29.738 0.00 . 1 . . . . . 115 ARG CB . 53698 1 14 . 1 . 1 4 4 ARG N N 15 120.385 0.00 . 1 . . . . . 115 ARG N . 53698 1 15 . 1 . 1 5 5 GLY H H 1 8.714 0.00 . 1 . . . . . 116 GLY H . 53698 1 16 . 1 . 1 5 5 GLY CA C 13 44.992 0.00 . 1 . . . . . 116 GLY CA . 53698 1 17 . 1 . 1 5 5 GLY N N 15 108.473 0.00 . 1 . . . . . 116 GLY N . 53698 1 18 . 1 . 1 6 6 PHE H H 1 9.518 0.00 . 1 . . . . . 117 PHE H . 53698 1 19 . 1 . 1 6 6 PHE N N 15 123.241 0.00 . 1 . . . . . 117 PHE N . 53698 1 20 . 1 . 1 7 7 GLU H H 1 8.337 0.00 . 1 . . . . . 118 GLU H . 53698 1 21 . 1 . 1 7 7 GLU CA C 13 55.304 0.00 . 1 . . . . . 118 GLU CA . 53698 1 22 . 1 . 1 7 7 GLU CB C 13 26.443 0.00 . 1 . . . . . 118 GLU CB . 53698 1 23 . 1 . 1 7 7 GLU N N 15 118.961 0.00 . 1 . . . . . 118 GLU N . 53698 1 24 . 1 . 1 8 8 ARG H H 1 7.226 0.00 . 1 . . . . . 119 ARG H . 53698 1 25 . 1 . 1 8 8 ARG CA C 13 54.999 0.00 . 1 . . . . . 119 ARG CA . 53698 1 26 . 1 . 1 8 8 ARG CB C 13 27.663 0.00 . 1 . . . . . 119 ARG CB . 53698 1 27 . 1 . 1 8 8 ARG N N 15 115.907 0.00 . 1 . . . . . 119 ARG N . 53698 1 28 . 1 . 1 9 9 GLY H H 1 7.443 0.00 . 1 . . . . . 120 GLY H . 53698 1 29 . 1 . 1 9 9 GLY CA C 13 43.406 0.00 . 1 . . . . . 120 GLY CA . 53698 1 30 . 1 . 1 9 9 GLY N N 15 104.556 0.00 . 1 . . . . . 120 GLY N . 53698 1 31 . 1 . 1 10 10 LEU H H 1 7.594 0.00 . 1 . . . . . 121 LEU H . 53698 1 32 . 1 . 1 10 10 LEU CA C 13 50.056 0.00 . 1 . . . . . 121 LEU CA . 53698 1 33 . 1 . 1 10 10 LEU CB C 13 39.317 0.00 . 1 . . . . . 121 LEU CB . 53698 1 34 . 1 . 1 10 10 LEU N N 15 119.972 0.00 . 1 . . . . . 121 LEU N . 53698 1 35 . 1 . 1 11 11 GLU H H 1 9.045 0.00 . 1 . . . . . 122 GLU H . 53698 1 36 . 1 . 1 11 11 GLU N N 15 122.413 0.00 . 1 . . . . . 122 GLU N . 53698 1 37 . 1 . 1 12 12 PRO CA C 13 61.528 0.00 . 1 . . . . . 123 PRO CA . 53698 1 38 . 1 . 1 12 12 PRO CB C 13 30.653 0.00 . 1 . . . . . 123 PRO CB . 53698 1 39 . 1 . 1 13 13 GLU H H 1 8.800 0.00 . 1 . . . . . 124 GLU H . 53698 1 40 . 1 . 1 13 13 GLU CA C 13 54.694 0.00 . 1 . . . . . 124 GLU CA . 53698 1 41 . 1 . 1 13 13 GLU CB C 13 30.409 0.00 . 1 . . . . . 124 GLU CB . 53698 1 42 . 1 . 1 13 13 GLU N N 15 121.506 0.00 . 1 . . . . . 124 GLU N . 53698 1 43 . 1 . 1 14 14 LYS H H 1 7.598 0.00 . 1 . . . . . 125 LYS H . 53698 1 44 . 1 . 1 14 14 LYS CA C 13 51.643 0.00 . 1 . . . . . 125 LYS CA . 53698 1 45 . 1 . 1 14 14 LYS CB C 13 38.402 0.00 . 1 . . . . . 125 LYS CB . 53698 1 46 . 1 . 1 14 14 LYS N N 15 114.366 0.00 . 1 . . . . . 125 LYS N . 53698 1 47 . 1 . 1 15 15 ILE H H 1 8.188 0.00 . 1 . . . . . 126 ILE H . 53698 1 48 . 1 . 1 15 15 ILE N N 15 124.334 0.00 . 1 . . . . . 126 ILE N . 53698 1 49 . 1 . 1 16 16 ILE H H 1 8.704 0.00 . 1 . . . . . 127 ILE H . 53698 1 50 . 1 . 1 16 16 ILE CA C 13 58.111 0.00 . 1 . . . . . 127 ILE CA . 53698 1 51 . 1 . 1 16 16 ILE CB C 13 35.717 0.00 . 1 . . . . . 127 ILE CB . 53698 1 52 . 1 . 1 16 16 ILE N N 15 120.203 0.00 . 1 . . . . . 127 ILE N . 53698 1 53 . 1 . 1 17 17 GLY H H 1 7.185 0.00 . 1 . . . . . 128 GLY H . 53698 1 54 . 1 . 1 17 17 GLY CA C 13 42.490 0.00 . 1 . . . . . 128 GLY CA . 53698 1 55 . 1 . 1 17 17 GLY N N 15 108.214 0.00 . 1 . . . . . 128 GLY N . 53698 1 56 . 1 . 1 18 18 ALA H H 1 8.594 0.00 . 1 . . . . . 129 ALA H . 53698 1 57 . 1 . 1 18 18 ALA CA C 13 48.531 0.00 . 1 . . . . . 129 ALA CA . 53698 1 58 . 1 . 1 18 18 ALA CB C 13 20.219 0.00 . 1 . . . . . 129 ALA CB . 53698 1 59 . 1 . 1 18 18 ALA N N 15 122.387 0.00 . 1 . . . . . 129 ALA N . 53698 1 60 . 1 . 1 19 19 THR H H 1 8.788 0.00 . 1 . . . . . 130 THR H . 53698 1 61 . 1 . 1 19 19 THR CA C 13 57.379 0.00 . 1 . . . . . 130 THR CA . 53698 1 62 . 1 . 1 19 19 THR CB C 13 67.263 0.00 . 1 . . . . . 130 THR CB . 53698 1 63 . 1 . 1 19 19 THR N N 15 114.677 0.00 . 1 . . . . . 130 THR N . 53698 1 64 . 1 . 1 20 20 ASP H H 1 8.226 0.00 . 1 . . . . . 131 ASP H . 53698 1 65 . 1 . 1 20 20 ASP CA C 13 50.423 0.00 . 1 . . . . . 131 ASP CA . 53698 1 66 . 1 . 1 20 20 ASP CB C 13 39.378 0.00 . 1 . . . . . 131 ASP CB . 53698 1 67 . 1 . 1 20 20 ASP N N 15 125.425 0.00 . 1 . . . . . 131 ASP N . 53698 1 68 . 1 . 1 21 21 SER H H 1 8.469 0.00 . 1 . . . . . 132 SER H . 53698 1 69 . 1 . 1 21 21 SER CA C 13 56.219 0.00 . 1 . . . . . 132 SER CA . 53698 1 70 . 1 . 1 21 21 SER CB C 13 60.490 0.00 . 1 . . . . . 132 SER CB . 53698 1 71 . 1 . 1 21 21 SER N N 15 118.053 0.00 . 1 . . . . . 132 SER N . 53698 1 72 . 1 . 1 22 22 CYS H H 1 8.997 0.00 . 1 . . . . . 133 CYS H . 53698 1 73 . 1 . 1 22 22 CYS CA C 13 56.158 0.00 . 1 . . . . . 133 CYS CA . 53698 1 74 . 1 . 1 22 22 CYS CB C 13 24.185 0.00 . 1 . . . . . 133 CYS CB . 53698 1 75 . 1 . 1 22 22 CYS N N 15 120.930 0.00 . 1 . . . . . 133 CYS N . 53698 1 76 . 1 . 1 23 23 GLY H H 1 8.418 0.00 . 1 . . . . . 134 GLY H . 53698 1 77 . 1 . 1 23 23 GLY CA C 13 42.673 0.00 . 1 . . . . . 134 GLY CA . 53698 1 78 . 1 . 1 23 23 GLY N N 15 109.160 0.00 . 1 . . . . . 134 GLY N . 53698 1 79 . 1 . 1 24 24 ASP H H 1 7.665 0.00 . 1 . . . . . 135 ASP H . 53698 1 80 . 1 . 1 24 24 ASP CA C 13 55.853 0.00 . 1 . . . . . 135 ASP CA . 53698 1 81 . 1 . 1 24 24 ASP CB C 13 40.355 0.00 . 1 . . . . . 135 ASP CB . 53698 1 82 . 1 . 1 24 24 ASP N N 15 120.576 0.00 . 1 . . . . . 135 ASP N . 53698 1 83 . 1 . 1 25 25 LEU H H 1 8.315 0.00 . 1 . . . . . 136 LEU H . 53698 1 84 . 1 . 1 25 25 LEU N N 15 123.632 0.00 . 1 . . . . . 136 LEU N . 53698 1 85 . 1 . 1 26 26 MET H H 1 8.870 0.00 . 1 . . . . . 137 MET H . 53698 1 86 . 1 . 1 26 26 MET CA C 13 51.094 0.00 . 1 . . . . . 137 MET CA . 53698 1 87 . 1 . 1 26 26 MET CB C 13 33.826 0.00 . 1 . . . . . 137 MET CB . 53698 1 88 . 1 . 1 26 26 MET N N 15 125.910 0.00 . 1 . . . . . 137 MET N . 53698 1 89 . 1 . 1 27 27 PHE H H 1 8.956 0.00 . 1 . . . . . 138 PHE H . 53698 1 90 . 1 . 1 27 27 PHE CA C 13 51.704 0.00 . 1 . . . . . 138 PHE CA . 53698 1 91 . 1 . 1 27 27 PHE CB C 13 38.341 0.00 . 1 . . . . . 138 PHE CB . 53698 1 92 . 1 . 1 27 27 PHE N N 15 116.866 0.00 . 1 . . . . . 138 PHE N . 53698 1 93 . 1 . 1 28 28 LEU H H 1 8.283 0.00 . 1 . . . . . 139 LEU H . 53698 1 94 . 1 . 1 28 28 LEU CA C 13 51.399 0.00 . 1 . . . . . 139 LEU CA . 53698 1 95 . 1 . 1 28 28 LEU CB C 13 38.463 0.00 . 1 . . . . . 139 LEU CB . 53698 1 96 . 1 . 1 28 28 LEU N N 15 124.198 0.00 . 1 . . . . . 139 LEU N . 53698 1 97 . 1 . 1 29 29 MET H H 1 8.868 0.00 . 1 . . . . . 140 MET H . 53698 1 98 . 1 . 1 29 29 MET CA C 13 50.606 0.00 . 1 . . . . . 140 MET CA . 53698 1 99 . 1 . 1 29 29 MET CB C 13 31.019 0.00 . 1 . . . . . 140 MET CB . 53698 1 100 . 1 . 1 29 29 MET N N 15 130.405 0.00 . 1 . . . . . 140 MET N . 53698 1 101 . 1 . 1 30 30 LYS H H 1 8.493 0.00 . 1 . . . . . 141 LYS H . 53698 1 102 . 1 . 1 30 30 LYS CA C 13 52.009 0.00 . 1 . . . . . 141 LYS CA . 53698 1 103 . 1 . 1 30 30 LYS CB C 13 31.080 0.00 . 1 . . . . . 141 LYS CB . 53698 1 104 . 1 . 1 30 30 LYS N N 15 126.387 0.00 . 1 . . . . . 141 LYS N . 53698 1 105 . 1 . 1 31 31 TRP H H 1 8.282 0.00 . 1 . . . . . 142 TRP H . 53698 1 106 . 1 . 1 31 31 TRP CA C 13 51.887 0.00 . 1 . . . . . 142 TRP CA . 53698 1 107 . 1 . 1 31 31 TRP CB C 13 28.517 0.00 . 1 . . . . . 142 TRP CB . 53698 1 108 . 1 . 1 31 31 TRP N N 15 130.096 0.00 . 1 . . . . . 142 TRP N . 53698 1 109 . 1 . 1 32 32 LYS H H 1 9.102 0.00 . 1 . . . . . 143 LYS H . 53698 1 110 . 1 . 1 32 32 LYS CA C 13 54.877 0.00 . 1 . . . . . 143 LYS CA . 53698 1 111 . 1 . 1 32 32 LYS CB C 13 30.409 0.00 . 1 . . . . . 143 LYS CB . 53698 1 112 . 1 . 1 32 32 LYS N N 15 122.331 0.00 . 1 . . . . . 143 LYS N . 53698 1 113 . 1 . 1 33 33 ASP H H 1 9.192 0.00 . 1 . . . . . 144 ASP H . 53698 1 114 . 1 . 1 33 33 ASP CA C 13 53.290 0.00 . 1 . . . . . 144 ASP CA . 53698 1 115 . 1 . 1 33 33 ASP CB C 13 36.511 0.00 . 1 . . . . . 144 ASP CB . 53698 1 116 . 1 . 1 33 33 ASP N N 15 118.387 0.00 . 1 . . . . . 144 ASP N . 53698 1 117 . 1 . 1 34 34 THR H H 1 7.507 0.00 . 1 . . . . . 145 THR H . 53698 1 118 . 1 . 1 34 34 THR CA C 13 57.440 0.00 . 1 . . . . . 145 THR CA . 53698 1 119 . 1 . 1 34 34 THR CB C 13 67.141 0.00 . 1 . . . . . 145 THR CB . 53698 1 120 . 1 . 1 34 34 THR N N 15 111.716 0.00 . 1 . . . . . 145 THR N . 53698 1 121 . 1 . 1 35 35 ASP H H 1 8.599 0.00 . 1 . . . . . 146 ASP H . 53698 1 122 . 1 . 1 35 35 ASP N N 15 124.856 0.00 . 1 . . . . . 146 ASP N . 53698 1 123 . 1 . 1 36 36 GLU H H 1 8.187 0.00 . 1 . . . . . 147 GLU H . 53698 1 124 . 1 . 1 36 36 GLU CA C 13 53.046 0.00 . 1 . . . . . 147 GLU CA . 53698 1 125 . 1 . 1 36 36 GLU CB C 13 27.541 0.00 . 1 . . . . . 147 GLU CB . 53698 1 126 . 1 . 1 36 36 GLU N N 15 120.595 0.00 . 1 . . . . . 147 GLU N . 53698 1 127 . 1 . 1 37 37 ALA H H 1 8.095 0.00 . 1 . . . . . 148 ALA H . 53698 1 128 . 1 . 1 37 37 ALA CA C 13 48.104 0.00 . 1 . . . . . 148 ALA CA . 53698 1 129 . 1 . 1 37 37 ALA CB C 13 18.938 0.00 . 1 . . . . . 148 ALA CB . 53698 1 130 . 1 . 1 37 37 ALA N N 15 124.681 0.00 . 1 . . . . . 148 ALA N . 53698 1 131 . 1 . 1 38 38 ASP H H 1 8.215 0.00 . 1 . . . . . 149 ASP H . 53698 1 132 . 1 . 1 38 38 ASP N N 15 117.565 0.00 . 1 . . . . . 149 ASP N . 53698 1 133 . 1 . 1 39 39 LEU H H 1 8.546 0.00 . 1 . . . . . 150 LEU H . 53698 1 134 . 1 . 1 39 39 LEU CA C 13 52.009 0.00 . 1 . . . . . 150 LEU CA . 53698 1 135 . 1 . 1 39 39 LEU CB C 13 40.294 0.00 . 1 . . . . . 150 LEU CB . 53698 1 136 . 1 . 1 39 39 LEU N N 15 120.984 0.00 . 1 . . . . . 150 LEU N . 53698 1 137 . 1 . 1 40 40 VAL H H 1 9.199 0.00 . 1 . . . . . 151 VAL H . 53698 1 138 . 1 . 1 40 40 VAL CA C 13 55.548 0.00 . 1 . . . . . 151 VAL CA . 53698 1 139 . 1 . 1 40 40 VAL CB C 13 32.667 0.00 . 1 . . . . . 151 VAL CB . 53698 1 140 . 1 . 1 40 40 VAL N N 15 114.945 0.00 . 1 . . . . . 151 VAL N . 53698 1 141 . 1 . 1 41 41 LEU H H 1 9.420 0.00 . 1 . . . . . 152 LEU H . 53698 1 142 . 1 . 1 41 41 LEU CA C 13 52.985 0.00 . 1 . . . . . 152 LEU CA . 53698 1 143 . 1 . 1 41 41 LEU CB C 13 39.745 0.00 . 1 . . . . . 152 LEU CB . 53698 1 144 . 1 . 1 41 41 LEU N N 15 124.170 0.00 . 1 . . . . . 152 LEU N . 53698 1 145 . 1 . 1 42 42 ALA H H 1 8.747 0.00 . 1 . . . . . 153 ALA H . 53698 1 146 . 1 . 1 42 42 ALA CA C 13 53.168 0.00 . 1 . . . . . 153 ALA CA . 53698 1 147 . 1 . 1 42 42 ALA CB C 13 14.971 0.00 . 1 . . . . . 153 ALA CB . 53698 1 148 . 1 . 1 42 42 ALA N N 15 129.854 0.00 . 1 . . . . . 153 ALA N . 53698 1 149 . 1 . 1 43 43 LYS H H 1 8.440 0.00 . 1 . . . . . 154 LYS H . 53698 1 150 . 1 . 1 43 43 LYS CA C 13 56.097 0.00 . 1 . . . . . 154 LYS CA . 53698 1 151 . 1 . 1 43 43 LYS CB C 13 29.616 0.00 . 1 . . . . . 154 LYS CB . 53698 1 152 . 1 . 1 43 43 LYS N N 15 112.394 0.00 . 1 . . . . . 154 LYS N . 53698 1 153 . 1 . 1 44 44 GLU H H 1 6.901 0.00 . 1 . . . . . 155 GLU H . 53698 1 154 . 1 . 1 44 44 GLU CA C 13 50.484 0.00 . 1 . . . . . 155 GLU CA . 53698 1 155 . 1 . 1 44 44 GLU CB C 13 28.151 0.00 . 1 . . . . . 155 GLU CB . 53698 1 156 . 1 . 1 44 44 GLU N N 15 116.595 0.00 . 1 . . . . . 155 GLU N . 53698 1 157 . 1 . 1 45 45 ALA H H 1 8.356 0.00 . 1 . . . . . 156 ALA H . 53698 1 158 . 1 . 1 45 45 ALA CA C 13 52.436 0.00 . 1 . . . . . 156 ALA CA . 53698 1 159 . 1 . 1 45 45 ALA CB C 13 15.216 0.00 . 1 . . . . . 156 ALA CB . 53698 1 160 . 1 . 1 45 45 ALA N N 15 123.656 0.00 . 1 . . . . . 156 ALA N . 53698 1 161 . 1 . 1 46 46 ASN H H 1 9.335 0.00 . 1 . . . . . 157 ASN H . 53698 1 162 . 1 . 1 46 46 ASN CA C 13 53.367 0.00 . 1 . . . . . 157 ASN CA . 53698 1 163 . 1 . 1 46 46 ASN CB C 13 35.789 0.00 . 1 . . . . . 157 ASN CB . 53698 1 164 . 1 . 1 46 46 ASN N N 15 114.967 0.00 . 1 . . . . . 157 ASN N . 53698 1 165 . 1 . 1 47 47 VAL H H 1 6.628 0.00 . 1 . . . . . 158 VAL H . 53698 1 166 . 1 . 1 47 47 VAL N N 15 109.999 0.00 . 1 . . . . . 158 VAL N . 53698 1 167 . 1 . 1 48 48 LYS H H 1 8.272 0.00 . 1 . . . . . 159 LYS H . 53698 1 168 . 1 . 1 48 48 LYS CA C 13 56.125 0.00 . 1 . . . . . 159 LYS CA . 53698 1 169 . 1 . 1 48 48 LYS CB C 13 31.193 0.00 . 1 . . . . . 159 LYS CB . 53698 1 170 . 1 . 1 48 48 LYS N N 15 120.588 0.00 . 1 . . . . . 159 LYS N . 53698 1 171 . 1 . 1 49 49 CYS H H 1 9.154 0.00 . 1 . . . . . 160 CYS H . 53698 1 172 . 1 . 1 49 49 CYS N N 15 113.414 0.00 . 1 . . . . . 160 CYS N . 53698 1 173 . 1 . 1 50 50 PRO CA C 13 62.674 0.00 . 1 . . . . . 161 PRO CA . 53698 1 174 . 1 . 1 50 50 PRO CB C 13 28.953 0.00 . 1 . . . . . 161 PRO CB . 53698 1 175 . 1 . 1 51 51 GLN H H 1 8.911 0.00 . 1 . . . . . 162 GLN H . 53698 1 176 . 1 . 1 51 51 GLN CA C 13 55.493 0.00 . 1 . . . . . 162 GLN CA . 53698 1 177 . 1 . 1 51 51 GLN CB C 13 24.012 0.00 . 1 . . . . . 162 GLN CB . 53698 1 178 . 1 . 1 51 51 GLN N N 15 113.003 0.00 . 1 . . . . . 162 GLN N . 53698 1 179 . 1 . 1 52 52 ILE H H 1 7.287 0.00 . 1 . . . . . 163 ILE H . 53698 1 180 . 1 . 1 52 52 ILE N N 15 122.631 0.00 . 1 . . . . . 163 ILE N . 53698 1 181 . 1 . 1 53 53 VAL H H 1 7.200 0.00 . 1 . . . . . 164 VAL H . 53698 1 182 . 1 . 1 53 53 VAL N N 15 122.662 0.00 . 1 . . . . . 164 VAL N . 53698 1 183 . 1 . 1 54 54 ILE H H 1 8.650 0.00 . 1 . . . . . 165 ILE H . 53698 1 184 . 1 . 1 54 54 ILE N N 15 118.601 0.00 . 1 . . . . . 165 ILE N . 53698 1 185 . 1 . 1 55 55 ALA H H 1 7.579 0.00 . 1 . . . . . 166 ALA H . 53698 1 186 . 1 . 1 55 55 ALA CA C 13 52.333 0.00 . 1 . . . . . 166 ALA CA . 53698 1 187 . 1 . 1 55 55 ALA CB C 13 15.338 0.00 . 1 . . . . . 166 ALA CB . 53698 1 188 . 1 . 1 55 55 ALA N N 15 119.308 0.00 . 1 . . . . . 166 ALA N . 53698 1 189 . 1 . 1 56 56 PHE H H 1 7.196 0.00 . 1 . . . . . 167 PHE H . 53698 1 190 . 1 . 1 56 56 PHE N N 15 118.490 0.00 . 1 . . . . . 167 PHE N . 53698 1 191 . 1 . 1 57 57 TYR H H 1 7.662 0.00 . 1 . . . . . 168 TYR H . 53698 1 192 . 1 . 1 57 57 TYR CA C 13 57.676 0.00 . 1 . . . . . 168 TYR CA . 53698 1 193 . 1 . 1 57 57 TYR CB C 13 34.123 0.00 . 1 . . . . . 168 TYR CB . 53698 1 194 . 1 . 1 57 57 TYR N N 15 119.568 0.00 . 1 . . . . . 168 TYR N . 53698 1 195 . 1 . 1 58 58 GLU H H 1 8.958 0.00 . 1 . . . . . 169 GLU H . 53698 1 196 . 1 . 1 58 58 GLU N N 15 118.565 0.00 . 1 . . . . . 169 GLU N . 53698 1 197 . 1 . 1 59 59 GLU H H 1 7.489 0.00 . 1 . . . . . 170 GLU H . 53698 1 198 . 1 . 1 59 59 GLU CA C 13 55.665 0.00 . 1 . . . . . 170 GLU CA . 53698 1 199 . 1 . 1 59 59 GLU CB C 13 27.114 0.00 . 1 . . . . . 170 GLU CB . 53698 1 200 . 1 . 1 59 59 GLU N N 15 118.125 0.00 . 1 . . . . . 170 GLU N . 53698 1 201 . 1 . 1 60 60 ARG H H 1 7.410 0.00 . 1 . . . . . 171 ARG H . 53698 1 202 . 1 . 1 60 60 ARG CA C 13 54.631 0.00 . 1 . . . . . 171 ARG CA . 53698 1 203 . 1 . 1 60 60 ARG CB C 13 27.402 0.00 . 1 . . . . . 171 ARG CB . 53698 1 204 . 1 . 1 60 60 ARG N N 15 116.694 0.00 . 1 . . . . . 171 ARG N . 53698 1 205 . 1 . 1 61 61 LEU H H 1 7.785 0.00 . 1 . . . . . 172 LEU H . 53698 1 206 . 1 . 1 61 61 LEU CA C 13 50.667 0.00 . 1 . . . . . 172 LEU CA . 53698 1 207 . 1 . 1 61 61 LEU CB C 13 35.846 0.00 . 1 . . . . . 172 LEU CB . 53698 1 208 . 1 . 1 61 61 LEU N N 15 120.241 0.00 . 1 . . . . . 172 LEU N . 53698 1 209 . 1 . 1 62 62 THR H H 1 7.697 0.00 . 1 . . . . . 173 THR H . 53698 1 210 . 1 . 1 62 62 THR N N 15 113.038 0.00 . 1 . . . . . 173 THR N . 53698 1 211 . 1 . 1 63 63 TRP H H 1 7.950 0.00 . 1 . . . . . 174 TRP H . 53698 1 212 . 1 . 1 63 63 TRP N N 15 121.418 0.00 . 1 . . . . . 174 TRP N . 53698 1 213 . 1 . 1 64 64 HIS H H 1 7.720 0.00 . 1 . . . . . 175 HIS H . 53698 1 214 . 1 . 1 64 64 HIS N N 15 120.468 0.00 . 1 . . . . . 175 HIS N . 53698 1 215 . 1 . 1 65 65 ALA H H 1 8.119 0.00 . 1 . . . . . 176 ALA H . 53698 1 216 . 1 . 1 65 65 ALA N N 15 125.798 0.00 . 1 . . . . . 176 ALA N . 53698 1 217 . 1 . 1 68 68 GLU H H 1 8.515 0.00 . 1 . . . . . 179 GLU H . 53698 1 218 . 1 . 1 68 68 GLU N N 15 121.212 0.00 . 1 . . . . . 179 GLU N . 53698 1 219 . 1 . 1 69 69 ASP H H 1 8.312 0.00 . 1 . . . . . 180 ASP H . 53698 1 220 . 1 . 1 69 69 ASP CA C 13 53.023 0.00 . 1 . . . . . 180 ASP CA . 53698 1 221 . 1 . 1 69 69 ASP CB C 13 32.629 0.00 . 1 . . . . . 180 ASP CB . 53698 1 222 . 1 . 1 69 69 ASP N N 15 121.517 0.00 . 1 . . . . . 180 ASP N . 53698 1 223 . 1 . 1 70 70 ALA H H 1 8.085 0.00 . 1 . . . . . 181 ALA H . 53698 1 224 . 1 . 1 70 70 ALA N N 15 124.248 0.00 . 1 . . . . . 181 ALA N . 53698 1 225 . 1 . 1 71 71 GLU H H 1 8.298 0.00 . 1 . . . . . 182 GLU H . 53698 1 226 . 1 . 1 71 71 GLU N N 15 119.178 0.00 . 1 . . . . . 182 GLU N . 53698 1 227 . 1 . 1 74 74 GLU H H 1 8.351 0.00 . 1 . . . . . 185 GLU H . 53698 1 228 . 1 . 1 74 74 GLU N N 15 121.268 0.00 . 1 . . . . . 185 GLU N . 53698 1 229 . 1 . 1 75 75 LYS H H 1 8.169 0.00 . 1 . . . . . 186 LYS H . 53698 1 230 . 1 . 1 75 75 LYS N N 15 121.569 0.00 . 1 . . . . . 186 LYS N . 53698 1 231 . 1 . 1 76 76 GLU H H 1 8.384 0.00 . 1 . . . . . 187 GLU H . 53698 1 232 . 1 . 1 76 76 GLU N N 15 121.711 0.00 . 1 . . . . . 187 GLU N . 53698 1 233 . 1 . 1 77 77 THR H H 1 8.168 0.00 . 1 . . . . . 188 THR H . 53698 1 234 . 1 . 1 77 77 THR CA C 13 58.940 0.00 . 1 . . . . . 188 THR CA . 53698 1 235 . 1 . 1 77 77 THR CB C 13 67.097 0.00 . 1 . . . . . 188 THR CB . 53698 1 236 . 1 . 1 77 77 THR N N 15 115.634 0.00 . 1 . . . . . 188 THR N . 53698 1 237 . 1 . 1 78 78 ALA H H 1 8.317 0.00 . 1 . . . . . 189 ALA H . 53698 1 238 . 1 . 1 78 78 ALA N N 15 126.884 0.00 . 1 . . . . . 189 ALA N . 53698 1 239 . 1 . 1 79 79 LYS H H 1 8.226 0.00 . 1 . . . . . 190 LYS H . 53698 1 240 . 1 . 1 79 79 LYS CA C 13 53.425 0.00 . 1 . . . . . 190 LYS CA . 53698 1 241 . 1 . 1 79 79 LYS CB C 13 30.446 0.00 . 1 . . . . . 190 LYS CB . 53698 1 242 . 1 . 1 79 79 LYS N N 15 121.950 0.00 . 1 . . . . . 190 LYS N . 53698 1 243 . 1 . 1 80 80 SER H H 1 7.967 0.00 . 1 . . . . . 191 SER H . 53698 1 244 . 1 . 1 80 80 SER N N 15 122.827 0.00 . 1 . . . . . 191 SER N . 53698 1 stop_ save_