data_11453 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11453 _Entry.Title ; Backbone chemical shifts assignment of UHRF1 atypical PHD finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-22 _Entry.Accession_date 2011-09-27 _Entry.Last_release_date 2011-09-27 _Entry.Original_release_date 2011-09-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.44 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Chengmin Qian . . . . 11453 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11453 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 122 11453 '15N chemical shifts' 64 11453 '1H chemical shifts' 64 11453 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 . . 2017-03-14 . original BMRB . 11453 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11453 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22100450 _Citation.Full_citation . _Citation.Title ; UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 415 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 318 _Citation.Page_last 328 _Citation.Year 2012 _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 Si Xie S. . . . 11453 1 2 Jean Jakoncic J. . . . 11453 1 3 Chengmin Qian C. . . . 11453 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11453 _Assembly.ID 1 _Assembly.Name 'UHRF1 atypical PHD finger' _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 'PHD finger' 1 $PHD_finger A . yes native no no . . . 11453 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PHD_finger _Entity.Sf_category entity _Entity.Sf_framecode PHD_finger _Entity.Entry_ID 11453 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PHD_finger _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 ; GSPEFGPSCKHCKDDVNRLC RVCACHLCGGRQDPDKQLMC DECDMAFHIYCLDPPLSSVP SEDEWYCPECRNDA ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _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 . GLY . 11453 1 2 . SER . 11453 1 3 . PRO . 11453 1 4 . GLU . 11453 1 5 297 PHE . 11453 1 6 298 GLY . 11453 1 7 299 PRO . 11453 1 8 300 SER . 11453 1 9 301 CYS . 11453 1 10 302 LYS . 11453 1 11 303 HIS . 11453 1 12 304 CYS . 11453 1 13 305 LYS . 11453 1 14 306 ASP . 11453 1 15 307 ASP . 11453 1 16 308 VAL . 11453 1 17 309 ASN . 11453 1 18 310 ARG . 11453 1 19 311 LEU . 11453 1 20 312 CYS . 11453 1 21 313 ARG . 11453 1 22 314 VAL . 11453 1 23 315 CYS . 11453 1 24 316 ALA . 11453 1 25 317 CYS . 11453 1 26 318 HIS . 11453 1 27 319 LEU . 11453 1 28 320 CYS . 11453 1 29 321 GLY . 11453 1 30 322 GLY . 11453 1 31 323 ARG . 11453 1 32 324 GLN . 11453 1 33 325 ASP . 11453 1 34 326 PRO . 11453 1 35 327 ASP . 11453 1 36 328 LYS . 11453 1 37 329 GLN . 11453 1 38 330 LEU . 11453 1 39 331 MET . 11453 1 40 332 CYS . 11453 1 41 333 ASP . 11453 1 42 334 GLU . 11453 1 43 335 CYS . 11453 1 44 336 ASP . 11453 1 45 337 MET . 11453 1 46 338 ALA . 11453 1 47 339 PHE . 11453 1 48 340 HIS . 11453 1 49 341 ILE . 11453 1 50 342 TYR . 11453 1 51 343 CYS . 11453 1 52 344 LEU . 11453 1 53 345 ASP . 11453 1 54 346 PRO . 11453 1 55 347 PRO . 11453 1 56 348 LEU . 11453 1 57 349 SER . 11453 1 58 350 SER . 11453 1 59 351 VAL . 11453 1 60 352 PRO . 11453 1 61 353 SER . 11453 1 62 354 GLU . 11453 1 63 355 ASP . 11453 1 64 356 GLU . 11453 1 65 357 TRP . 11453 1 66 358 TYR . 11453 1 67 359 CYS . 11453 1 68 360 PRO . 11453 1 69 361 GLU . 11453 1 70 362 CYS . 11453 1 71 363 ARG . 11453 1 72 364 ASN . 11453 1 73 365 ASP . 11453 1 74 366 ALA . 11453 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 11453 1 . SER 2 2 11453 1 . PRO 3 3 11453 1 . GLU 4 4 11453 1 . PHE 5 5 11453 1 . GLY 6 6 11453 1 . PRO 7 7 11453 1 . SER 8 8 11453 1 . CYS 9 9 11453 1 . LYS 10 10 11453 1 . HIS 11 11 11453 1 . CYS 12 12 11453 1 . LYS 13 13 11453 1 . ASP 14 14 11453 1 . ASP 15 15 11453 1 . VAL 16 16 11453 1 . ASN 17 17 11453 1 . ARG 18 18 11453 1 . LEU 19 19 11453 1 . CYS 20 20 11453 1 . ARG 21 21 11453 1 . VAL 22 22 11453 1 . CYS 23 23 11453 1 . ALA 24 24 11453 1 . CYS 25 25 11453 1 . HIS 26 26 11453 1 . LEU 27 27 11453 1 . CYS 28 28 11453 1 . GLY 29 29 11453 1 . GLY 30 30 11453 1 . ARG 31 31 11453 1 . GLN 32 32 11453 1 . ASP 33 33 11453 1 . PRO 34 34 11453 1 . ASP 35 35 11453 1 . LYS 36 36 11453 1 . GLN 37 37 11453 1 . LEU 38 38 11453 1 . MET 39 39 11453 1 . CYS 40 40 11453 1 . ASP 41 41 11453 1 . GLU 42 42 11453 1 . CYS 43 43 11453 1 . ASP 44 44 11453 1 . MET 45 45 11453 1 . ALA 46 46 11453 1 . PHE 47 47 11453 1 . HIS 48 48 11453 1 . ILE 49 49 11453 1 . TYR 50 50 11453 1 . CYS 51 51 11453 1 . LEU 52 52 11453 1 . ASP 53 53 11453 1 . PRO 54 54 11453 1 . PRO 55 55 11453 1 . LEU 56 56 11453 1 . SER 57 57 11453 1 . SER 58 58 11453 1 . VAL 59 59 11453 1 . PRO 60 60 11453 1 . SER 61 61 11453 1 . GLU 62 62 11453 1 . ASP 63 63 11453 1 . GLU 64 64 11453 1 . TRP 65 65 11453 1 . TYR 66 66 11453 1 . CYS 67 67 11453 1 . PRO 68 68 11453 1 . GLU 69 69 11453 1 . CYS 70 70 11453 1 . ARG 71 71 11453 1 . ASN 72 72 11453 1 . ASP 73 73 11453 1 . ALA 74 74 11453 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 11453 _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 $PHD_finger . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 11453 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 11453 _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 $PHD_finger . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . pGEX4T1 . . . 11453 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11453 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PHD finger' '[U-13C; U-15N]' . . 1 $PHD_finger . protein 0.3 . . mM . . . . 11453 1 2 H2O . . . . . . solvent 90 . . % . . . . 11453 1 3 D2O . . . . . . solvent 10 . . % . . . . 11453 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 11453 _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' 0.150 . M 11453 1 pH 6.5 . pH 11453 1 pressure 1 . atm 11453 1 temperature 298 . K 11453 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11453 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11453 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11453 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 11453 _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 11453 _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 . . . 11453 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 11453 _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 . . . . . . . . . . . . . . . . 11453 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11453 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11453 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 11453 _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 internal direct 1 . . . . . 11453 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 11453 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 11453 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 11453 _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' 1 $sample_1 isotropic 11453 1 2 '3D HNCACB' 1 $sample_1 isotropic 11453 1 3 '3D HN(CO)CACB' 1 $sample_1 isotropic 11453 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.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 5 5 PHE H H 1 8.440 . . 1 . . . . 297 F HN . 11453 1 2 . 1 1 5 5 PHE CA C 13 57.113 . . 1 . . . . 297 F CA . 11453 1 3 . 1 1 5 5 PHE CB C 13 30.387 . . 1 . . . . 297 F CB . 11453 1 4 . 1 1 5 5 PHE N N 15 120.795 . . 1 . . . . 297 F N . 11453 1 5 . 1 1 6 6 GLY H H 1 8.069 . . 1 . . . . 298 G HN . 11453 1 6 . 1 1 6 6 GLY CA C 13 57.515 . . 1 . . . . 298 G CA . 11453 1 7 . 1 1 6 6 GLY N N 15 119.753 . . 1 . . . . 298 G N . 11453 1 8 . 1 1 7 7 PRO H2 H 1 8.101 . . 1 . . . . 299 P HN . 11453 1 9 . 1 1 7 7 PRO CA C 13 44.669 . . 1 . . . . 299 P CA . 11453 1 10 . 1 1 7 7 PRO N N 15 110.221 . . 1 . . . . 299 P N . 11453 1 11 . 1 1 9 9 CYS H H 1 10.445 . . 1 . . . . 301 C HN . 11453 1 12 . 1 1 9 9 CYS CA C 13 60.803 . . 1 . . . . 301 C CA . 11453 1 13 . 1 1 9 9 CYS CB C 13 63.529 . . 1 . . . . 301 C CB . 11453 1 14 . 1 1 9 9 CYS N N 15 120.891 . . 1 . . . . 301 C N . 11453 1 15 . 1 1 10 10 LYS H H 1 9.115 . . 1 . . . . 302 K HN . 11453 1 16 . 1 1 10 10 LYS CA C 13 58.277 . . 1 . . . . 302 K CA . 11453 1 17 . 1 1 10 10 LYS CB C 13 32.585 . . 1 . . . . 302 K CB . 11453 1 18 . 1 1 10 10 LYS N N 15 125.226 . . 1 . . . . 302 K N . 11453 1 19 . 1 1 11 11 HIS H H 1 8.909 . . 1 . . . . 303 H HN . 11453 1 20 . 1 1 11 11 HIS CA C 13 58.106 . . 1 . . . . 303 H CA . 11453 1 21 . 1 1 11 11 HIS CB C 13 32.314 . . 1 . . . . 303 H CB . 11453 1 22 . 1 1 11 11 HIS N N 15 127.372 . . 1 . . . . 303 H N . 11453 1 23 . 1 1 12 12 CYS H H 1 8.866 . . 1 . . . . 304 C HN . 11453 1 24 . 1 1 12 12 CYS CA C 13 59.351 . . 1 . . . . 304 C CA . 11453 1 25 . 1 1 12 12 CYS CB C 13 30.593 . . 1 . . . . 304 C CB . 11453 1 26 . 1 1 12 12 CYS N N 15 121.417 . . 1 . . . . 304 C N . 11453 1 27 . 1 1 13 13 LYS H H 1 8.077 . . 1 . . . . 305 K HN . 11453 1 28 . 1 1 13 13 LYS CA C 13 58.134 . . 1 . . . . 305 K CA . 11453 1 29 . 1 1 13 13 LYS CB C 13 32.068 . . 1 . . . . 305 K CB . 11453 1 30 . 1 1 13 13 LYS N N 15 115.505 . . 1 . . . . 305 K N . 11453 1 31 . 1 1 14 14 ASP H H 1 7.909 . . 1 . . . . 306 D HN . 11453 1 32 . 1 1 14 14 ASP CA C 13 57.880 . . 1 . . . . 306 D CA . 11453 1 33 . 1 1 14 14 ASP CB C 13 29.046 . . 1 . . . . 306 D CB . 11453 1 34 . 1 1 14 14 ASP N N 15 120.212 . . 1 . . . . 306 D N . 11453 1 35 . 1 1 15 15 ASP H H 1 8.824 . . 1 . . . . 307 D HN . 11453 1 36 . 1 1 15 15 ASP CA C 13 54.695 . . 1 . . . . 307 D CA . 11453 1 37 . 1 1 15 15 ASP CB C 13 38.391 . . 1 . . . . 307 D CB . 11453 1 38 . 1 1 15 15 ASP N N 15 117.770 . . 1 . . . . 307 D N . 11453 1 39 . 1 1 16 16 VAL H H 1 7.179 . . 1 . . . . 308 V HN . 11453 1 40 . 1 1 16 16 VAL CA C 13 53.846 . . 1 . . . . 308 V CA . 11453 1 41 . 1 1 16 16 VAL CB C 13 40.950 . . 1 . . . . 308 V CB . 11453 1 42 . 1 1 16 16 VAL N N 15 118.975 . . 1 . . . . 308 V N . 11453 1 43 . 1 1 17 17 ASN H H 1 8.005 . . 1 . . . . 309 N HN . 11453 1 44 . 1 1 17 17 ASN CA C 13 63.850 . . 1 . . . . 309 N CA . 11453 1 45 . 1 1 17 17 ASN CB C 13 31.405 . . 1 . . . . 309 N CB . 11453 1 46 . 1 1 17 17 ASN N N 15 122.269 . . 1 . . . . 309 N N . 11453 1 47 . 1 1 18 18 ARG H H 1 8.451 . . 1 . . . . 310 R HN . 11453 1 48 . 1 1 18 18 ARG CA C 13 54.165 . . 1 . . . . 310 R CA . 11453 1 49 . 1 1 18 18 ARG CB C 13 39.158 . . 1 . . . . 310 R CB . 11453 1 50 . 1 1 18 18 ARG N N 15 117.923 . . 1 . . . . 310 R N . 11453 1 51 . 1 1 19 19 LEU H H 1 7.860 . . 1 . . . . 311 L HN . 11453 1 52 . 1 1 19 19 LEU CA C 13 54.564 . . 1 . . . . 311 L CA . 11453 1 53 . 1 1 19 19 LEU CB C 13 32.859 . . 1 . . . . 311 L CB . 11453 1 54 . 1 1 19 19 LEU N N 15 119.961 . . 1 . . . . 311 L N . 11453 1 55 . 1 1 20 20 CYS H H 1 8.382 . . 1 . . . . 312 C HN . 11453 1 56 . 1 1 20 20 CYS CA C 13 54.912 . . 1 . . . . 312 C CA . 11453 1 57 . 1 1 20 20 CYS CB C 13 42.716 . . 1 . . . . 312 C CB . 11453 1 58 . 1 1 20 20 CYS N N 15 124.159 . . 1 . . . . 312 C N . 11453 1 59 . 1 1 21 21 ARG H H 1 9.266 . . 1 . . . . 313 R HN . 11453 1 60 . 1 1 21 21 ARG CA C 13 60.637 . . 1 . . . . 313 R CA . 11453 1 61 . 1 1 21 21 ARG CB C 13 32.893 . . 1 . . . . 313 R CB . 11453 1 62 . 1 1 21 21 ARG N N 15 123.844 . . 1 . . . . 313 R N . 11453 1 63 . 1 1 22 22 VAL H H 1 8.855 . . 1 . . . . 314 V HN . 11453 1 64 . 1 1 22 22 VAL CA C 13 56.485 . . 1 . . . . 314 V CA . 11453 1 65 . 1 1 22 22 VAL CB C 13 29.628 . . 1 . . . . 314 V CB . 11453 1 66 . 1 1 22 22 VAL N N 15 127.078 . . 1 . . . . 314 V N . 11453 1 67 . 1 1 23 23 CYS H H 1 9.042 . . 1 . . . . 315 C HN . 11453 1 68 . 1 1 23 23 CYS CA C 13 65.771 . . 1 . . . . 315 C CA . 11453 1 69 . 1 1 23 23 CYS CB C 13 32.342 . . 1 . . . . 315 C CB . 11453 1 70 . 1 1 23 23 CYS N N 15 123.354 . . 1 . . . . 315 C N . 11453 1 71 . 1 1 24 24 ALA H H 1 8.330 . . 1 . . . . 316 A HN . 11453 1 72 . 1 1 24 24 ALA CA C 13 58.426 . . 1 . . . . 316 A CA . 11453 1 73 . 1 1 24 24 ALA CB C 13 31.887 . . 1 . . . . 316 A CB . 11453 1 74 . 1 1 24 24 ALA N N 15 118.037 . . 1 . . . . 316 A N . 11453 1 75 . 1 1 25 25 CYS H H 1 7.002 . . 1 . . . . 317 C HN . 11453 1 76 . 1 1 25 25 CYS CA C 13 50.488 . . 1 . . . . 317 C CA . 11453 1 77 . 1 1 25 25 CYS CB C 13 19.381 . . 1 . . . . 317 C CB . 11453 1 78 . 1 1 25 25 CYS N N 15 130.790 . . 1 . . . . 317 C N . 11453 1 79 . 1 1 26 26 HIS H H 1 7.034 . . 1 . . . . 318 H HN . 11453 1 80 . 1 1 26 26 HIS CA C 13 60.485 . . 1 . . . . 318 H CA . 11453 1 81 . 1 1 26 26 HIS CB C 13 30.525 . . 1 . . . . 318 H CB . 11453 1 82 . 1 1 26 26 HIS N N 15 118.724 . . 1 . . . . 318 H N . 11453 1 83 . 1 1 27 27 LEU H H 1 9.689 . . 1 . . . . 319 L HN . 11453 1 84 . 1 1 27 27 LEU CA C 13 56.304 . . 1 . . . . 319 L CA . 11453 1 85 . 1 1 27 27 LEU CB C 13 28.977 . . 1 . . . . 319 L CB . 11453 1 86 . 1 1 27 27 LEU N N 15 127.954 . . 1 . . . . 319 L N . 11453 1 87 . 1 1 28 28 CYS H H 1 8.740 . . 1 . . . . 320 C HN . 11453 1 88 . 1 1 28 28 CYS CA C 13 56.110 . . 1 . . . . 320 C CA . 11453 1 89 . 1 1 28 28 CYS CB C 13 43.051 . . 1 . . . . 320 C CB . 11453 1 90 . 1 1 28 28 CYS N N 15 118.271 . . 1 . . . . 320 C N . 11453 1 91 . 1 1 29 29 GLY H H 1 8.283 . . 1 . . . . 321 G HN . 11453 1 92 . 1 1 29 29 GLY CA C 13 59.058 . . 1 . . . . 321 G CA . 11453 1 93 . 1 1 29 29 GLY N N 15 118.613 . . 1 . . . . 321 G N . 11453 1 94 . 1 1 30 30 GLY H H 1 8.557 . . 1 . . . . 322 G HN . 11453 1 95 . 1 1 30 30 GLY CA C 13 45.833 . . 1 . . . . 322 G CA . 11453 1 96 . 1 1 30 30 GLY N N 15 116.117 . . 1 . . . . 322 G N . 11453 1 97 . 1 1 31 31 ARG H H 1 9.543 . . 1 . . . . 323 R HN . 11453 1 98 . 1 1 31 31 ARG CA C 13 45.129 . . 1 . . . . 323 R CA . 11453 1 99 . 1 1 31 31 ARG N N 15 111.567 . . 1 . . . . 323 R N . 11453 1 100 . 1 1 32 32 GLN H H 1 8.754 . . 1 . . . . 324 Q HN . 11453 1 101 . 1 1 32 32 GLN CA C 13 55.678 . . 1 . . . . 324 Q CA . 11453 1 102 . 1 1 32 32 GLN CB C 13 31.354 . . 1 . . . . 324 Q CB . 11453 1 103 . 1 1 32 32 GLN N N 15 118.924 . . 1 . . . . 324 Q N . 11453 1 104 . 1 1 33 33 ASP H H 1 9.535 . . 1 . . . . 325 D HN . 11453 1 105 . 1 1 33 33 ASP CA C 13 55.889 . . 1 . . . . 325 D CA . 11453 1 106 . 1 1 33 33 ASP CB C 13 28.088 . . 1 . . . . 325 D CB . 11453 1 107 . 1 1 33 33 ASP N N 15 121.201 . . 1 . . . . 325 D N . 11453 1 108 . 1 1 34 34 PRO H2 H 1 9.673 . . 1 . . . . 326 P HN . 11453 1 109 . 1 1 34 34 PRO CA C 13 55.795 . . 1 . . . . 326 P CA . 11453 1 110 . 1 1 34 34 PRO CB C 13 41.181 . . 1 . . . . 326 P CB . 11453 1 111 . 1 1 34 34 PRO N N 15 118.190 . . 1 . . . . 326 P N . 11453 1 112 . 1 1 36 36 LYS H H 1 9.186 . . 1 . . . . 328 K HN . 11453 1 113 . 1 1 36 36 LYS CA C 13 54.930 . . 1 . . . . 328 K CA . 11453 1 114 . 1 1 36 36 LYS CB C 13 39.097 . . 1 . . . . 328 K CB . 11453 1 115 . 1 1 36 36 LYS N N 15 115.004 . . 1 . . . . 328 K N . 11453 1 116 . 1 1 37 37 GLN H H 1 8.099 . . 1 . . . . 329 Q HN . 11453 1 117 . 1 1 37 37 GLN CA C 13 54.919 . . 1 . . . . 329 Q CA . 11453 1 118 . 1 1 37 37 GLN CB C 13 34.231 . . 1 . . . . 329 Q CB . 11453 1 119 . 1 1 37 37 GLN N N 15 117.259 . . 1 . . . . 329 Q N . 11453 1 120 . 1 1 38 38 LEU H H 1 7.089 . . 1 . . . . 330 L HN . 11453 1 121 . 1 1 38 38 LEU CA C 13 54.998 . . 1 . . . . 330 L CA . 11453 1 122 . 1 1 38 38 LEU CB C 13 29.179 . . 1 . . . . 330 L CB . 11453 1 123 . 1 1 38 38 LEU N N 15 120.226 . . 1 . . . . 330 L N . 11453 1 124 . 1 1 39 39 MET H H 1 8.147 . . 1 . . . . 331 M HN . 11453 1 125 . 1 1 39 39 MET CA C 13 54.337 . . 1 . . . . 331 M CA . 11453 1 126 . 1 1 39 39 MET CB C 13 44.320 . . 1 . . . . 331 M CB . 11453 1 127 . 1 1 39 39 MET N N 15 125.424 . . 1 . . . . 331 M N . 11453 1 128 . 1 1 40 40 CYS H H 1 7.944 . . 1 . . . . 332 C HN . 11453 1 129 . 1 1 40 40 CYS CA C 13 52.896 . . 1 . . . . 332 C CA . 11453 1 130 . 1 1 40 40 CYS CB C 13 32.902 . . 1 . . . . 332 C CB . 11453 1 131 . 1 1 40 40 CYS N N 15 119.586 . . 1 . . . . 332 C N . 11453 1 132 . 1 1 41 41 ASP H H 1 9.036 . . 1 . . . . 333 D HN . 11453 1 133 . 1 1 41 41 ASP CA C 13 59.984 . . 1 . . . . 333 D CA . 11453 1 134 . 1 1 41 41 ASP CB C 13 32.637 . . 1 . . . . 333 D CB . 11453 1 135 . 1 1 41 41 ASP N N 15 124.718 . . 1 . . . . 333 D N . 11453 1 136 . 1 1 42 42 GLU H H 1 9.125 . . 1 . . . . 334 E HN . 11453 1 137 . 1 1 42 42 GLU CA C 13 57.981 . . 1 . . . . 334 E CA . 11453 1 138 . 1 1 42 42 GLU CB C 13 41.035 . . 1 . . . . 334 E CB . 11453 1 139 . 1 1 42 42 GLU N N 15 129.460 . . 1 . . . . 334 E N . 11453 1 140 . 1 1 43 43 CYS H H 1 9.612 . . 1 . . . . 335 C HN . 11453 1 141 . 1 1 43 43 CYS CA C 13 58.636 . . 1 . . . . 335 C CA . 11453 1 142 . 1 1 43 43 CYS CB C 13 30.517 . . 1 . . . . 335 C CB . 11453 1 143 . 1 1 43 43 CYS N N 15 124.543 . . 1 . . . . 335 C N . 11453 1 144 . 1 1 44 44 ASP H H 1 8.518 . . 1 . . . . 336 D HN . 11453 1 145 . 1 1 44 44 ASP CA C 13 60.155 . . 1 . . . . 336 D CA . 11453 1 146 . 1 1 44 44 ASP CB C 13 32.492 . . 1 . . . . 336 D CB . 11453 1 147 . 1 1 44 44 ASP N N 15 119.444 . . 1 . . . . 336 D N . 11453 1 148 . 1 1 45 45 MET H H 1 8.005 . . 1 . . . . 337 M HN . 11453 1 149 . 1 1 45 45 MET CA C 13 56.570 . . 1 . . . . 337 M CA . 11453 1 150 . 1 1 45 45 MET CB C 13 41.759 . . 1 . . . . 337 M CB . 11453 1 151 . 1 1 45 45 MET N N 15 120.740 . . 1 . . . . 337 M N . 11453 1 152 . 1 1 46 46 ALA H H 1 8.151 . . 1 . . . . 338 A HN . 11453 1 153 . 1 1 46 46 ALA CA C 13 54.904 . . 1 . . . . 338 A CA . 11453 1 154 . 1 1 46 46 ALA CB C 13 34.781 . . 1 . . . . 338 A CB . 11453 1 155 . 1 1 46 46 ALA N N 15 117.074 . . 1 . . . . 338 A N . 11453 1 156 . 1 1 47 47 PHE H H 1 8.451 . . 1 . . . . 339 F HN . 11453 1 157 . 1 1 47 47 PHE CA C 13 49.925 . . 1 . . . . 339 F CA . 11453 1 158 . 1 1 47 47 PHE CB C 13 22.476 . . 1 . . . . 339 F CB . 11453 1 159 . 1 1 47 47 PHE N N 15 123.145 . . 1 . . . . 339 F N . 11453 1 160 . 1 1 48 48 HIS H H 1 9.157 . . 1 . . . . 340 H HN . 11453 1 161 . 1 1 48 48 HIS CA C 13 56.563 . . 1 . . . . 340 H CA . 11453 1 162 . 1 1 48 48 HIS CB C 13 43.017 . . 1 . . . . 340 H CB . 11453 1 163 . 1 1 48 48 HIS N N 15 116.464 . . 1 . . . . 340 H N . 11453 1 164 . 1 1 49 49 ILE H H 1 9.397 . . 1 . . . . 341 I HN . 11453 1 165 . 1 1 49 49 ILE CA C 13 59.087 . . 1 . . . . 341 I CA . 11453 1 166 . 1 1 49 49 ILE CB C 13 31.270 . . 1 . . . . 341 I CB . 11453 1 167 . 1 1 49 49 ILE N N 15 124.460 . . 1 . . . . 341 I N . 11453 1 168 . 1 1 50 50 TYR H H 1 8.519 . . 1 . . . . 342 Y HN . 11453 1 169 . 1 1 50 50 TYR CA C 13 65.924 . . 1 . . . . 342 Y CA . 11453 1 170 . 1 1 50 50 TYR CB C 13 36.280 . . 1 . . . . 342 Y CB . 11453 1 171 . 1 1 50 50 TYR N N 15 115.199 . . 1 . . . . 342 Y N . 11453 1 172 . 1 1 51 51 CYS H H 1 6.065 . . 1 . . . . 343 C HN . 11453 1 173 . 1 1 51 51 CYS CA C 13 55.239 . . 1 . . . . 343 C CA . 11453 1 174 . 1 1 51 51 CYS CB C 13 36.862 . . 1 . . . . 343 C CB . 11453 1 175 . 1 1 51 51 CYS N N 15 110.920 . . 1 . . . . 343 C N . 11453 1 176 . 1 1 52 52 LEU H H 1 7.579 . . 1 . . . . 344 L HN . 11453 1 177 . 1 1 52 52 LEU CA C 13 62.425 . . 1 . . . . 344 L CA . 11453 1 178 . 1 1 52 52 LEU CB C 13 31.192 . . 1 . . . . 344 L CB . 11453 1 179 . 1 1 52 52 LEU N N 15 121.713 . . 1 . . . . 344 L N . 11453 1 180 . 1 1 53 53 ASP H H 1 6.365 . . 1 . . . . 345 D HN . 11453 1 181 . 1 1 53 53 ASP CA C 13 55.615 . . 1 . . . . 345 D CA . 11453 1 182 . 1 1 53 53 ASP CB C 13 44.165 . . 1 . . . . 345 D CB . 11453 1 183 . 1 1 53 53 ASP N N 15 119.322 . . 1 . . . . 345 D N . 11453 1 184 . 1 1 54 54 PRO H2 H 1 8.070 . . 1 . . . . 346 P HN . 11453 1 185 . 1 1 54 54 PRO CB C 13 43.689 . . 1 . . . . 346 P CB . 11453 1 186 . 1 1 54 54 PRO N N 15 117.075 . . 1 . . . . 346 P N . 11453 1 187 . 1 1 57 57 SER H H 1 7.785 . . 1 . . . . 349 S HN . 11453 1 188 . 1 1 57 57 SER CA C 13 53.491 . . 1 . . . . 349 S CA . 11453 1 189 . 1 1 57 57 SER CB C 13 44.023 . . 1 . . . . 349 S CB . 11453 1 190 . 1 1 57 57 SER N N 15 121.115 . . 1 . . . . 349 S N . 11453 1 191 . 1 1 58 58 SER H H 1 8.850 . . 1 . . . . 350 S HN . 11453 1 192 . 1 1 58 58 SER CA C 13 59.564 . . 1 . . . . 350 S CA . 11453 1 193 . 1 1 58 58 SER CB C 13 64.001 . . 1 . . . . 350 S CB . 11453 1 194 . 1 1 58 58 SER N N 15 115.519 . . 1 . . . . 350 S N . 11453 1 195 . 1 1 59 59 VAL H H 1 7.428 . . 1 . . . . 351 V HN . 11453 1 196 . 1 1 59 59 VAL CA C 13 56.756 . . 1 . . . . 351 V CA . 11453 1 197 . 1 1 59 59 VAL CB C 13 65.320 . . 1 . . . . 351 V CB . 11453 1 198 . 1 1 59 59 VAL N N 15 112.933 . . 1 . . . . 351 V N . 11453 1 199 . 1 1 60 60 PRO H2 H 1 8.663 . . 1 . . . . 352 P HN . 11453 1 200 . 1 1 60 60 PRO CA C 13 61.806 . . 1 . . . . 352 P CA . 11453 1 201 . 1 1 60 60 PRO CB C 13 32.445 . . 1 . . . . 352 P CB . 11453 1 202 . 1 1 60 60 PRO N N 15 123.661 . . 1 . . . . 352 P N . 11453 1 203 . 1 1 62 62 GLU H H 1 8.601 . . 1 . . . . 354 E HN . 11453 1 204 . 1 1 62 62 GLU CA C 13 59.263 . . 1 . . . . 354 E CA . 11453 1 205 . 1 1 62 62 GLU CB C 13 64.082 . . 1 . . . . 354 E CB . 11453 1 206 . 1 1 62 62 GLU N N 15 116.297 . . 1 . . . . 354 E N . 11453 1 207 . 1 1 63 63 ASP H H 1 8.225 . . 1 . . . . 355 D HN . 11453 1 208 . 1 1 63 63 ASP CA C 13 58.033 . . 1 . . . . 355 D CA . 11453 1 209 . 1 1 63 63 ASP CB C 13 30.193 . . 1 . . . . 355 D CB . 11453 1 210 . 1 1 63 63 ASP N N 15 122.227 . . 1 . . . . 355 D N . 11453 1 211 . 1 1 64 64 GLU H H 1 8.609 . . 1 . . . . 356 E HN . 11453 1 212 . 1 1 64 64 GLU CA C 13 57.779 . . 1 . . . . 356 E CA . 11453 1 213 . 1 1 64 64 GLU CB C 13 41.587 . . 1 . . . . 356 E CB . 11453 1 214 . 1 1 64 64 GLU N N 15 120.943 . . 1 . . . . 356 E N . 11453 1 215 . 1 1 65 65 TRP H H 1 7.750 . . 1 . . . . 357 W HN . 11453 1 216 . 1 1 65 65 TRP CA C 13 54.428 . . 1 . . . . 357 W CA . 11453 1 217 . 1 1 65 65 TRP CB C 13 33.427 . . 1 . . . . 357 W CB . 11453 1 218 . 1 1 65 65 TRP N N 15 115.588 . . 1 . . . . 357 W N . 11453 1 219 . 1 1 66 66 TYR H H 1 9.189 . . 1 . . . . 358 Y HN . 11453 1 220 . 1 1 66 66 TYR CA C 13 59.719 . . 1 . . . . 358 Y CA . 11453 1 221 . 1 1 66 66 TYR CB C 13 31.534 . . 1 . . . . 358 Y CB . 11453 1 222 . 1 1 66 66 TYR N N 15 123.986 . . 1 . . . . 358 Y N . 11453 1 223 . 1 1 67 67 CYS H H 1 6.849 . . 1 . . . . 359 C HN . 11453 1 224 . 1 1 67 67 CYS CA C 13 55.036 . . 1 . . . . 359 C CA . 11453 1 225 . 1 1 67 67 CYS CB C 13 41.718 . . 1 . . . . 359 C CB . 11453 1 226 . 1 1 67 67 CYS N N 15 123.103 . . 1 . . . . 359 C N . 11453 1 227 . 1 1 68 68 PRO H2 H 1 9.272 . . 1 . . . . 360 P HN . 11453 1 228 . 1 1 68 68 PRO CA C 13 57.572 . . 1 . . . . 360 P CA . 11453 1 229 . 1 1 68 68 PRO CB C 13 30.584 . . 1 . . . . 360 P CB . 11453 1 230 . 1 1 68 68 PRO N N 15 127.746 . . 1 . . . . 360 P N . 11453 1 231 . 1 1 70 70 CYS H H 1 8.078 . . 1 . . . . 362 C HN . 11453 1 232 . 1 1 70 70 CYS CA C 13 58.819 . . 1 . . . . 362 C CA . 11453 1 233 . 1 1 70 70 CYS CB C 13 30.937 . . 1 . . . . 362 C CB . 11453 1 234 . 1 1 70 70 CYS N N 15 117.474 . . 1 . . . . 362 C N . 11453 1 235 . 1 1 71 71 ARG H H 1 8.124 . . 1 . . . . 363 R HN . 11453 1 236 . 1 1 71 71 ARG CA C 13 63.051 . . 1 . . . . 363 R CA . 11453 1 237 . 1 1 71 71 ARG CB C 13 31.040 . . 1 . . . . 363 R CB . 11453 1 238 . 1 1 71 71 ARG N N 15 123.117 . . 1 . . . . 363 R N . 11453 1 239 . 1 1 72 72 ASN H H 1 7.915 . . 1 . . . . 364 N HN . 11453 1 240 . 1 1 72 72 ASN CA C 13 56.844 . . 1 . . . . 364 N CA . 11453 1 241 . 1 1 72 72 ASN CB C 13 30.588 . . 1 . . . . 364 N CB . 11453 1 242 . 1 1 72 72 ASN N N 15 117.756 . . 1 . . . . 364 N N . 11453 1 243 . 1 1 73 73 ASP H H 1 8.034 . . 1 . . . . 365 D HN . 11453 1 244 . 1 1 73 73 ASP CA C 13 53.631 . . 1 . . . . 365 D CA . 11453 1 245 . 1 1 73 73 ASP CB C 13 39.230 . . 1 . . . . 365 D CB . 11453 1 246 . 1 1 73 73 ASP N N 15 119.141 . . 1 . . . . 365 D N . 11453 1 247 . 1 1 74 74 ALA H H 1 8.182 . . 1 . . . . 366 A HN . 11453 1 248 . 1 1 74 74 ALA CA C 13 54.359 . . 1 . . . . 366 A CA . 11453 1 249 . 1 1 74 74 ALA CB C 13 41.352 . . 1 . . . . 366 A CB . 11453 1 250 . 1 1 74 74 ALA N N 15 121.185 . . 1 . . . . 366 A N . 11453 1 stop_ save_