data_25683 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25683 _Entry.Title ; FBP28 WW T456Y ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-01 _Entry.Accession_date 2015-07-01 _Entry.Last_release_date 2015-10-19 _Entry.Original_release_date 2015-10-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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 Jordi Medina . . . . 25683 2 Maria Macias . J. . . 25683 3 Pau Martin-Malpartida . . . . 25683 4 Harold Scheraga . A. . . 25683 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25683 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 25683 Variants . 25683 'WW domain' . 25683 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25683 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 246 25683 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 . . 2016-08-12 2015-07-01 update BMRB 'update entry citation' 25683 1 . . 2015-10-19 2015-07-01 original author 'original release' 25683 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25678 L453D 25683 BMRB 25679 L453E 25683 BMRB 25680 L453W 25683 BMRB 25681 E454Y 25683 BMRB 25682 T456D 25683 PDB 2N4W 'BMRB Entry Tracking System' 25683 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25683 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26483482 _Citation.Full_citation . _Citation.Title ; Preventing fibril formation of a protein by selective mutation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 44 _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 13549 _Citation.Page_last 13554 _Citation.Year 2015 _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 Gia Maisuradze . G. . . 25683 1 2 Jordi Medina . . . . 25683 1 3 Khatuna Kachlishvili . . . . 25683 1 4 Pawel Krupa . . . . 25683 1 5 Magdalena Mozolewska . . . . 25683 1 6 Pau Martin-Malpartida . . . . 25683 1 7 Luka Maisuradze . . . . 25683 1 8 Maria Macias . J. . . 25683 1 9 Harold Scheraga . A. . . 25683 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25683 _Assembly.ID 1 _Assembly.Name T456Y _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25683 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25683 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GATAVSEWTEYKTADGKTYY YNNRTLESYWEKPQELK ; _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4426.829 _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 1 428 GLY . 25683 1 2 429 ALA . 25683 1 3 430 THR . 25683 1 4 431 ALA . 25683 1 5 432 VAL . 25683 1 6 433 SER . 25683 1 7 434 GLU . 25683 1 8 435 TRP . 25683 1 9 436 THR . 25683 1 10 437 GLU . 25683 1 11 438 TYR . 25683 1 12 439 LYS . 25683 1 13 440 THR . 25683 1 14 441 ALA . 25683 1 15 442 ASP . 25683 1 16 443 GLY . 25683 1 17 444 LYS . 25683 1 18 445 THR . 25683 1 19 446 TYR . 25683 1 20 447 TYR . 25683 1 21 448 TYR . 25683 1 22 449 ASN . 25683 1 23 450 ASN . 25683 1 24 451 ARG . 25683 1 25 452 THR . 25683 1 26 453 LEU . 25683 1 27 454 GLU . 25683 1 28 455 SER . 25683 1 29 456 TYR . 25683 1 30 457 TRP . 25683 1 31 458 GLU . 25683 1 32 459 LYS . 25683 1 33 460 PRO . 25683 1 34 461 GLN . 25683 1 35 462 GLU . 25683 1 36 463 LEU . 25683 1 37 464 LYS . 25683 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 25683 1 . ALA 2 2 25683 1 . THR 3 3 25683 1 . ALA 4 4 25683 1 . VAL 5 5 25683 1 . SER 6 6 25683 1 . GLU 7 7 25683 1 . TRP 8 8 25683 1 . THR 9 9 25683 1 . GLU 10 10 25683 1 . TYR 11 11 25683 1 . LYS 12 12 25683 1 . THR 13 13 25683 1 . ALA 14 14 25683 1 . ASP 15 15 25683 1 . GLY 16 16 25683 1 . LYS 17 17 25683 1 . THR 18 18 25683 1 . TYR 19 19 25683 1 . TYR 20 20 25683 1 . TYR 21 21 25683 1 . ASN 22 22 25683 1 . ASN 23 23 25683 1 . ARG 24 24 25683 1 . THR 25 25 25683 1 . LEU 26 26 25683 1 . GLU 27 27 25683 1 . SER 28 28 25683 1 . TYR 29 29 25683 1 . TRP 30 30 25683 1 . GLU 31 31 25683 1 . LYS 32 32 25683 1 . PRO 33 33 25683 1 . GLN 34 34 25683 1 . GLU 35 35 25683 1 . LEU 36 36 25683 1 . LYS 37 37 25683 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 25683 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25683 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 25683 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGAT2 . . . 25683 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25683 _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 entity 'natural abundance' . . 1 $entity . . . 500 1000 uM . . . . 25683 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25683 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25683 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25683 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25683 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 25683 _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 pH 5.8 . pH 25683 1 pressure 1 . atm 25683 1 temperature 285 . K 25683 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25683 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25683 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25683 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25683 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25683 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25683 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25683 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25683 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25683 3 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 25683 _Software.ID 4 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25683 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25683 4 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 25683 _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 25683 _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 . . . 25683 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 25683 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25683 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25683 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 25683 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25683 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 25683 _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-1H NOESY' . . . 25683 1 2 '2D 1H-1H TOCSY' . . . 25683 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 1 1 GLY HA2 H 1 3.720 0.010 . 2 . . . A 1 GLY HA2 . 25683 1 2 . 1 1 1 1 GLY HA3 H 1 3.605 0.010 . 2 . . . A 1 GLY HA3 . 25683 1 3 . 1 1 2 2 ALA H H 1 8.084 0.010 . 1 . . . A 2 ALA H . 25683 1 4 . 1 1 2 2 ALA HA H 1 4.151 0.010 . 1 . . . A 2 ALA HA . 25683 1 5 . 1 1 2 2 ALA HB1 H 1 1.177 0.010 . 1 . . . A 2 ALA MB . 25683 1 6 . 1 1 2 2 ALA HB2 H 1 1.177 0.010 . 1 . . . A 2 ALA MB . 25683 1 7 . 1 1 2 2 ALA HB3 H 1 1.177 0.010 . 1 . . . A 2 ALA MB . 25683 1 8 . 1 1 3 3 THR H H 1 8.025 0.010 . 1 . . . A 3 THR H . 25683 1 9 . 1 1 3 3 THR HA H 1 4.104 0.010 . 1 . . . A 3 THR HA . 25683 1 10 . 1 1 3 3 THR HB H 1 3.992 0.010 . 1 . . . A 3 THR HB . 25683 1 11 . 1 1 3 3 THR HG21 H 1 1.000 0.010 . 1 . . . A 3 THR MG . 25683 1 12 . 1 1 3 3 THR HG22 H 1 1.000 0.010 . 1 . . . A 3 THR MG . 25683 1 13 . 1 1 3 3 THR HG23 H 1 1.000 0.010 . 1 . . . A 3 THR MG . 25683 1 14 . 1 1 4 4 ALA H H 1 8.168 0.010 . 1 . . . A 4 ALA H . 25683 1 15 . 1 1 4 4 ALA HA H 1 4.150 0.010 . 1 . . . A 4 ALA HA . 25683 1 16 . 1 1 4 4 ALA HB1 H 1 1.175 0.010 . 1 . . . A 4 ALA MB . 25683 1 17 . 1 1 4 4 ALA HB2 H 1 1.175 0.010 . 1 . . . A 4 ALA MB . 25683 1 18 . 1 1 4 4 ALA HB3 H 1 1.175 0.010 . 1 . . . A 4 ALA MB . 25683 1 19 . 1 1 5 5 VAL H H 1 8.028 0.010 . 1 . . . A 5 VAL H . 25683 1 20 . 1 1 5 5 VAL HA H 1 3.896 0.010 . 1 . . . A 5 VAL HA . 25683 1 21 . 1 1 5 5 VAL HB H 1 1.858 0.010 . 1 . . . A 5 VAL HB . 25683 1 22 . 1 1 5 5 VAL HG11 H 1 0.747 0.010 . 2 . . . A 5 VAL MG1 . 25683 1 23 . 1 1 5 5 VAL HG12 H 1 0.747 0.010 . 2 . . . A 5 VAL MG1 . 25683 1 24 . 1 1 5 5 VAL HG13 H 1 0.747 0.010 . 2 . . . A 5 VAL MG1 . 25683 1 25 . 1 1 5 5 VAL HG21 H 1 0.732 0.010 . 2 . . . A 5 VAL MG2 . 25683 1 26 . 1 1 5 5 VAL HG22 H 1 0.732 0.010 . 2 . . . A 5 VAL MG2 . 25683 1 27 . 1 1 5 5 VAL HG23 H 1 0.732 0.010 . 2 . . . A 5 VAL MG2 . 25683 1 28 . 1 1 6 6 SER H H 1 8.212 0.010 . 1 . . . A 6 SER H . 25683 1 29 . 1 1 6 6 SER HA H 1 4.294 0.010 . 1 . . . A 6 SER HA . 25683 1 30 . 1 1 6 6 SER HB2 H 1 3.820 0.001 . 2 . . . A 6 SER HB2 . 25683 1 31 . 1 1 6 6 SER HB3 H 1 3.706 0.001 . 2 . . . A 6 SER HB3 . 25683 1 32 . 1 1 7 7 GLU H H 1 8.569 0.010 . 1 . . . A 7 GLU H . 25683 1 33 . 1 1 7 7 GLU HA H 1 3.918 0.010 . 1 . . . A 7 GLU HA . 25683 1 34 . 1 1 7 7 GLU HB2 H 1 1.639 0.003 . 2 . . . A 7 GLU HB2 . 25683 1 35 . 1 1 7 7 GLU HB3 H 1 1.628 0.010 . 2 . . . A 7 GLU HB3 . 25683 1 36 . 1 1 7 7 GLU HG2 H 1 1.687 0.010 . 2 . . . A 7 GLU HG2 . 25683 1 37 . 1 1 7 7 GLU HG3 H 1 1.676 0.010 . 2 . . . A 7 GLU HG3 . 25683 1 38 . 1 1 8 8 TRP H H 1 7.924 0.010 . 1 . . . A 8 TRP H . 25683 1 39 . 1 1 8 8 TRP HA H 1 5.252 0.010 . 1 . . . A 8 TRP HA . 25683 1 40 . 1 1 8 8 TRP HB2 H 1 2.907 0.010 . 2 . . . A 8 TRP HB2 . 25683 1 41 . 1 1 8 8 TRP HB3 H 1 2.835 0.003 . 2 . . . A 8 TRP HB3 . 25683 1 42 . 1 1 8 8 TRP HD1 H 1 7.064 0.010 . 1 . . . A 8 TRP HD1 . 25683 1 43 . 1 1 8 8 TRP HE1 H 1 10.088 0.010 . 1 . . . A 8 TRP HE1 . 25683 1 44 . 1 1 8 8 TRP HE3 H 1 7.092 0.010 . 1 . . . A 8 TRP HE3 . 25683 1 45 . 1 1 8 8 TRP HZ2 H 1 7.217 0.010 . 1 . . . A 8 TRP HZ2 . 25683 1 46 . 1 1 8 8 TRP HZ3 H 1 6.618 0.010 . 1 . . . A 8 TRP HZ3 . 25683 1 47 . 1 1 8 8 TRP HH2 H 1 6.858 0.002 . 1 . . . A 8 TRP HH2 . 25683 1 48 . 1 1 9 9 THR H H 1 9.391 0.002 . 1 . . . A 9 THR H . 25683 1 49 . 1 1 9 9 THR HA H 1 4.330 0.010 . 1 . . . A 9 THR HA . 25683 1 50 . 1 1 9 9 THR HB H 1 3.686 0.001 . 1 . . . A 9 THR HB . 25683 1 51 . 1 1 9 9 THR HG21 H 1 0.632 0.010 . 1 . . . A 9 THR MG . 25683 1 52 . 1 1 9 9 THR HG22 H 1 0.632 0.010 . 1 . . . A 9 THR MG . 25683 1 53 . 1 1 9 9 THR HG23 H 1 0.632 0.010 . 1 . . . A 9 THR MG . 25683 1 54 . 1 1 10 10 GLU H H 1 8.381 0.010 . 1 . . . A 10 GLU H . 25683 1 55 . 1 1 10 10 GLU HA H 1 4.263 0.010 . 1 . . . A 10 GLU HA . 25683 1 56 . 1 1 10 10 GLU HB2 H 1 1.625 0.010 . 2 . . . A 10 GLU HB2 . 25683 1 57 . 1 1 10 10 GLU HB3 H 1 1.611 0.010 . 2 . . . A 10 GLU HB3 . 25683 1 58 . 1 1 10 10 GLU HG2 H 1 1.578 0.010 . 2 . . . A 10 GLU HG2 . 25683 1 59 . 1 1 11 11 TYR H H 1 8.311 0.010 . 1 . . . A 11 TYR H . 25683 1 60 . 1 1 11 11 TYR HA H 1 4.356 0.010 . 1 . . . A 11 TYR HA . 25683 1 61 . 1 1 11 11 TYR HB2 H 1 2.311 0.010 . 2 . . . A 11 TYR HB2 . 25683 1 62 . 1 1 11 11 TYR HB3 H 1 0.958 0.010 . 2 . . . A 11 TYR HB3 . 25683 1 63 . 1 1 11 11 TYR HD1 H 1 6.624 0.010 . 3 . . . A 11 TYR HD1 . 25683 1 64 . 1 1 11 11 TYR HE1 H 1 6.341 0.010 . 3 . . . A 11 TYR HE1 . 25683 1 65 . 1 1 12 12 LYS H H 1 8.003 0.002 . 1 . . . A 12 LYS H . 25683 1 66 . 1 1 12 12 LYS HA H 1 5.275 0.010 . 1 . . . A 12 LYS HA . 25683 1 67 . 1 1 12 12 LYS HB2 H 1 1.429 0.010 . 2 . . . A 12 LYS HB2 . 25683 1 68 . 1 1 12 12 LYS HB3 H 1 1.151 0.010 . 2 . . . A 12 LYS HB3 . 25683 1 69 . 1 1 12 12 LYS HG2 H 1 1.489 0.010 . 2 . . . A 12 LYS HG2 . 25683 1 70 . 1 1 12 12 LYS HG3 H 1 1.348 0.010 . 2 . . . A 12 LYS HG3 . 25683 1 71 . 1 1 12 12 LYS HD2 H 1 1.299 0.010 . 2 . . . A 12 LYS HD2 . 25683 1 72 . 1 1 12 12 LYS HD3 H 1 1.284 0.010 . 2 . . . A 12 LYS HD3 . 25683 1 73 . 1 1 12 12 LYS HE2 H 1 2.676 0.010 . 2 . . . A 12 LYS HE2 . 25683 1 74 . 1 1 13 13 THR H H 1 9.101 0.010 . 1 . . . A 13 THR H . 25683 1 75 . 1 1 13 13 THR HA H 1 4.465 0.001 . 1 . . . A 13 THR HA . 25683 1 76 . 1 1 13 13 THR HB H 1 4.447 0.010 . 1 . . . A 13 THR HB . 25683 1 77 . 1 1 13 13 THR HG21 H 1 1.344 0.002 . 1 . . . A 13 THR MG . 25683 1 78 . 1 1 13 13 THR HG22 H 1 1.344 0.002 . 1 . . . A 13 THR MG . 25683 1 79 . 1 1 13 13 THR HG23 H 1 1.344 0.002 . 1 . . . A 13 THR MG . 25683 1 80 . 1 1 14 14 ALA H H 1 7.822 0.010 . 1 . . . A 14 ALA H . 25683 1 81 . 1 1 14 14 ALA HA H 1 3.977 0.010 . 1 . . . A 14 ALA HA . 25683 1 82 . 1 1 14 14 ALA HB1 H 1 1.264 0.010 . 1 . . . A 14 ALA MB . 25683 1 83 . 1 1 14 14 ALA HB2 H 1 1.264 0.010 . 1 . . . A 14 ALA MB . 25683 1 84 . 1 1 14 14 ALA HB3 H 1 1.264 0.010 . 1 . . . A 14 ALA MB . 25683 1 85 . 1 1 15 15 ASP H H 1 7.910 0.010 . 1 . . . A 15 ASP H . 25683 1 86 . 1 1 15 15 ASP HA H 1 4.475 0.010 . 1 . . . A 15 ASP HA . 25683 1 87 . 1 1 15 15 ASP HB2 H 1 2.659 0.010 . 2 . . . A 15 ASP HB2 . 25683 1 88 . 1 1 15 15 ASP HB3 H 1 2.466 0.010 . 2 . . . A 15 ASP HB3 . 25683 1 89 . 1 1 16 16 GLY H H 1 7.817 0.010 . 1 . . . A 16 GLY H . 25683 1 90 . 1 1 16 16 GLY HA2 H 1 3.444 0.010 . 2 . . . A 16 GLY HA2 . 25683 1 91 . 1 1 16 16 GLY HA3 H 1 3.977 0.010 . 2 . . . A 16 GLY HA3 . 25683 1 92 . 1 1 17 17 LYS H H 1 7.760 0.002 . 1 . . . A 17 LYS H . 25683 1 93 . 1 1 17 17 LYS HA H 1 4.363 0.001 . 1 . . . A 17 LYS HA . 25683 1 94 . 1 1 17 17 LYS HB2 H 1 1.792 0.010 . 2 . . . A 17 LYS HB2 . 25683 1 95 . 1 1 17 17 LYS HB3 H 1 1.784 0.010 . 2 . . . A 17 LYS HB3 . 25683 1 96 . 1 1 17 17 LYS HG2 H 1 1.158 0.010 . 2 . . . A 17 LYS HG2 . 25683 1 97 . 1 1 17 17 LYS HG3 H 1 1.139 0.010 . 2 . . . A 17 LYS HG3 . 25683 1 98 . 1 1 17 17 LYS HD2 H 1 1.315 0.001 . 2 . . . A 17 LYS HD2 . 25683 1 99 . 1 1 17 17 LYS HD3 H 1 1.214 0.010 . 2 . . . A 17 LYS HD3 . 25683 1 100 . 1 1 17 17 LYS HE2 H 1 2.513 0.010 . 2 . . . A 17 LYS HE2 . 25683 1 101 . 1 1 18 18 THR H H 1 8.531 0.010 . 1 . . . A 18 THR H . 25683 1 102 . 1 1 18 18 THR HA H 1 4.807 0.010 . 1 . . . A 18 THR HA . 25683 1 103 . 1 1 18 18 THR HB H 1 3.721 0.010 . 1 . . . A 18 THR HB . 25683 1 104 . 1 1 18 18 THR HG21 H 1 0.673 0.010 . 1 . . . A 18 THR MG . 25683 1 105 . 1 1 18 18 THR HG22 H 1 0.673 0.010 . 1 . . . A 18 THR MG . 25683 1 106 . 1 1 18 18 THR HG23 H 1 0.673 0.010 . 1 . . . A 18 THR MG . 25683 1 107 . 1 1 19 19 TYR H H 1 8.575 0.010 . 1 . . . A 19 TYR H . 25683 1 108 . 1 1 19 19 TYR HA H 1 4.616 0.003 . 1 . . . A 19 TYR HA . 25683 1 109 . 1 1 19 19 TYR HB2 H 1 2.260 0.010 . 2 . . . A 19 TYR HB2 . 25683 1 110 . 1 1 19 19 TYR HB3 H 1 2.121 0.010 . 2 . . . A 19 TYR HB3 . 25683 1 111 . 1 1 19 19 TYR HD2 H 1 6.526 0.010 . 3 . . . A 19 TYR HD2 . 25683 1 112 . 1 1 19 19 TYR HE2 H 1 6.143 0.001 . 3 . . . A 19 TYR HE2 . 25683 1 113 . 1 1 20 20 TYR H H 1 8.820 0.001 . 1 . . . A 20 TYR H . 25683 1 114 . 1 1 20 20 TYR HA H 1 4.836 0.010 . 1 . . . A 20 TYR HA . 25683 1 115 . 1 1 20 20 TYR HB2 H 1 2.622 0.010 . 2 . . . A 20 TYR HB2 . 25683 1 116 . 1 1 20 20 TYR HB3 H 1 2.454 0.010 . 2 . . . A 20 TYR HB3 . 25683 1 117 . 1 1 20 20 TYR HD1 H 1 7.219 0.010 . 3 . . . A 20 TYR HD1 . 25683 1 118 . 1 1 20 20 TYR HE1 H 1 6.530 0.010 . 3 . . . A 20 TYR HE1 . 25683 1 119 . 1 1 21 21 TYR H H 1 9.355 0.010 . 1 . . . A 21 TYR H . 25683 1 120 . 1 1 21 21 TYR HA H 1 5.294 0.010 . 1 . . . A 21 TYR HA . 25683 1 121 . 1 1 21 21 TYR HB2 H 1 2.886 0.002 . 2 . . . A 21 TYR HB2 . 25683 1 122 . 1 1 21 21 TYR HB3 H 1 2.716 0.010 . 2 . . . A 21 TYR HB3 . 25683 1 123 . 1 1 21 21 TYR HD2 H 1 6.849 0.010 . 3 . . . A 21 TYR HD2 . 25683 1 124 . 1 1 21 21 TYR HE2 H 1 6.434 0.001 . 3 . . . A 21 TYR HE2 . 25683 1 125 . 1 1 22 22 ASN H H 1 8.224 0.010 . 1 . . . A 22 ASN H . 25683 1 126 . 1 1 22 22 ASN HA H 1 4.179 0.010 . 1 . . . A 22 ASN HA . 25683 1 127 . 1 1 22 22 ASN HB2 H 1 2.493 0.010 . 2 . . . A 22 ASN HB2 . 25683 1 128 . 1 1 22 22 ASN HB3 H 1 0.812 0.010 . 2 . . . A 22 ASN HB3 . 25683 1 129 . 1 1 22 22 ASN HD21 H 1 7.216 0.010 . 2 . . . A 22 ASN HD21 . 25683 1 130 . 1 1 22 22 ASN HD22 H 1 7.091 0.010 . 2 . . . A 22 ASN HD22 . 25683 1 131 . 1 1 23 23 ASN H H 1 8.494 0.001 . 1 . . . A 23 ASN H . 25683 1 132 . 1 1 23 23 ASN HA H 1 4.014 0.002 . 1 . . . A 23 ASN HA . 25683 1 133 . 1 1 23 23 ASN HB2 H 1 2.530 0.010 . 2 . . . A 23 ASN HB2 . 25683 1 134 . 1 1 23 23 ASN HB3 H 1 2.498 0.010 . 2 . . . A 23 ASN HB3 . 25683 1 135 . 1 1 23 23 ASN HD21 H 1 7.128 0.010 . 2 . . . A 23 ASN HD21 . 25683 1 136 . 1 1 23 23 ASN HD22 H 1 7.084 0.010 . 2 . . . A 23 ASN HD22 . 25683 1 137 . 1 1 24 24 ARG H H 1 8.352 0.010 . 1 . . . A 24 ARG H . 25683 1 138 . 1 1 24 24 ARG HA H 1 4.106 0.010 . 1 . . . A 24 ARG HA . 25683 1 139 . 1 1 24 24 ARG HB2 H 1 1.759 0.002 . 2 . . . A 24 ARG HB2 . 25683 1 140 . 1 1 24 24 ARG HB3 H 1 1.257 0.010 . 2 . . . A 24 ARG HB3 . 25683 1 141 . 1 1 24 24 ARG HG2 H 1 1.456 0.010 . 2 . . . A 24 ARG HG2 . 25683 1 142 . 1 1 24 24 ARG HG3 H 1 1.100 0.010 . 2 . . . A 24 ARG HG3 . 25683 1 143 . 1 1 24 24 ARG HD2 H 1 3.042 0.010 . 2 . . . A 24 ARG HD2 . 25683 1 144 . 1 1 24 24 ARG HD3 H 1 2.805 0.010 . 2 . . . A 24 ARG HD3 . 25683 1 145 . 1 1 24 24 ARG HE H 1 7.721 0.010 . 1 . . . A 24 ARG HE . 25683 1 146 . 1 1 25 25 THR H H 1 7.881 0.010 . 1 . . . A 25 THR H . 25683 1 147 . 1 1 25 25 THR HA H 1 3.851 0.004 . 1 . . . A 25 THR HA . 25683 1 148 . 1 1 25 25 THR HB H 1 4.040 0.010 . 1 . . . A 25 THR HB . 25683 1 149 . 1 1 25 25 THR HG21 H 1 0.760 0.010 . 1 . . . A 25 THR MG . 25683 1 150 . 1 1 25 25 THR HG22 H 1 0.760 0.010 . 1 . . . A 25 THR MG . 25683 1 151 . 1 1 25 25 THR HG23 H 1 0.760 0.010 . 1 . . . A 25 THR MG . 25683 1 152 . 1 1 26 26 LEU H H 1 7.764 0.010 . 1 . . . A 26 LEU H . 25683 1 153 . 1 1 26 26 LEU HA H 1 3.572 0.003 . 1 . . . A 26 LEU HA . 25683 1 154 . 1 1 26 26 LEU HB2 H 1 1.895 0.010 . 2 . . . A 26 LEU HB2 . 25683 1 155 . 1 1 26 26 LEU HB3 H 1 1.476 0.010 . 2 . . . A 26 LEU HB3 . 25683 1 156 . 1 1 26 26 LEU HG H 1 1.102 0.002 . 1 . . . A 26 LEU HG . 25683 1 157 . 1 1 26 26 LEU HD11 H 1 0.646 0.004 . 2 . . . A 26 LEU MD1 . 25683 1 158 . 1 1 26 26 LEU HD12 H 1 0.646 0.004 . 2 . . . A 26 LEU MD1 . 25683 1 159 . 1 1 26 26 LEU HD13 H 1 0.646 0.004 . 2 . . . A 26 LEU MD1 . 25683 1 160 . 1 1 26 26 LEU HD21 H 1 0.595 0.010 . 2 . . . A 26 LEU MD2 . 25683 1 161 . 1 1 26 26 LEU HD22 H 1 0.595 0.010 . 2 . . . A 26 LEU MD2 . 25683 1 162 . 1 1 26 26 LEU HD23 H 1 0.595 0.010 . 2 . . . A 26 LEU MD2 . 25683 1 163 . 1 1 27 27 GLU H H 1 6.840 0.001 . 1 . . . A 27 GLU H . 25683 1 164 . 1 1 27 27 GLU HA H 1 4.132 0.002 . 1 . . . A 27 GLU HA . 25683 1 165 . 1 1 27 27 GLU HB2 H 1 1.666 0.004 . 2 . . . A 27 GLU HB2 . 25683 1 166 . 1 1 27 27 GLU HB3 H 1 1.533 0.010 . 2 . . . A 27 GLU HB3 . 25683 1 167 . 1 1 27 27 GLU HG2 H 1 2.007 0.001 . 2 . . . A 27 GLU HG2 . 25683 1 168 . 1 1 27 27 GLU HG3 H 1 1.912 0.002 . 2 . . . A 27 GLU HG3 . 25683 1 169 . 1 1 28 28 SER H H 1 7.943 0.001 . 1 . . . A 28 SER H . 25683 1 170 . 1 1 28 28 SER HA H 1 5.562 0.010 . 1 . . . A 28 SER HA . 25683 1 171 . 1 1 28 28 SER HB2 H 1 3.378 0.010 . 2 . . . A 28 SER HB2 . 25683 1 172 . 1 1 28 28 SER HB3 H 1 3.348 0.010 . 2 . . . A 28 SER HB3 . 25683 1 173 . 1 1 29 29 TYR H H 1 9.218 0.010 . 1 . . . A 29 TYR H . 25683 1 174 . 1 1 29 29 TYR HA H 1 4.627 0.001 . 1 . . . A 29 TYR HA . 25683 1 175 . 1 1 29 29 TYR HB2 H 1 3.179 0.010 . 2 . . . A 29 TYR HB2 . 25683 1 176 . 1 1 29 29 TYR HB3 H 1 2.580 0.010 . 2 . . . A 29 TYR HB3 . 25683 1 177 . 1 1 29 29 TYR HD2 H 1 7.094 0.001 . 3 . . . A 29 TYR HD2 . 25683 1 178 . 1 1 29 29 TYR HE2 H 1 6.605 0.003 . 3 . . . A 29 TYR HE2 . 25683 1 179 . 1 1 30 30 TRP H H 1 8.718 0.010 . 1 . . . A 30 TRP H . 25683 1 180 . 1 1 30 30 TRP HA H 1 4.794 0.010 . 1 . . . A 30 TRP HA . 25683 1 181 . 1 1 30 30 TRP HB2 H 1 3.390 0.010 . 2 . . . A 30 TRP HB2 . 25683 1 182 . 1 1 30 30 TRP HB3 H 1 2.982 0.010 . 2 . . . A 30 TRP HB3 . 25683 1 183 . 1 1 30 30 TRP HD1 H 1 7.176 0.010 . 1 . . . A 30 TRP HD1 . 25683 1 184 . 1 1 30 30 TRP HE1 H 1 9.951 0.010 . 1 . . . A 30 TRP HE1 . 25683 1 185 . 1 1 30 30 TRP HE3 H 1 7.826 0.010 . 1 . . . A 30 TRP HE3 . 25683 1 186 . 1 1 30 30 TRP HZ2 H 1 7.118 0.010 . 1 . . . A 30 TRP HZ2 . 25683 1 187 . 1 1 30 30 TRP HZ3 H 1 6.666 0.010 . 1 . . . A 30 TRP HZ3 . 25683 1 188 . 1 1 30 30 TRP HH2 H 1 6.835 0.001 . 1 . . . A 30 TRP HH2 . 25683 1 189 . 1 1 31 31 GLU H H 1 7.604 0.010 . 1 . . . A 31 GLU H . 25683 1 190 . 1 1 31 31 GLU HA H 1 4.304 0.010 . 1 . . . A 31 GLU HA . 25683 1 191 . 1 1 31 31 GLU HB2 H 1 1.696 0.010 . 2 . . . A 31 GLU HB2 . 25683 1 192 . 1 1 31 31 GLU HB3 H 1 1.648 0.010 . 2 . . . A 31 GLU HB3 . 25683 1 193 . 1 1 31 31 GLU HG2 H 1 2.019 0.010 . 2 . . . A 31 GLU HG2 . 25683 1 194 . 1 1 31 31 GLU HG3 H 1 2.003 0.010 . 2 . . . A 31 GLU HG3 . 25683 1 195 . 1 1 32 32 LYS H H 1 8.167 0.010 . 1 . . . A 32 LYS H . 25683 1 196 . 1 1 32 32 LYS HA H 1 2.839 0.002 . 1 . . . A 32 LYS HA . 25683 1 197 . 1 1 32 32 LYS HB2 H 1 0.973 0.010 . 2 . . . A 32 LYS HB2 . 25683 1 198 . 1 1 32 32 LYS HB3 H 1 0.857 0.010 . 2 . . . A 32 LYS HB3 . 25683 1 199 . 1 1 32 32 LYS HG2 H 1 0.400 0.010 . 2 . . . A 32 LYS HG2 . 25683 1 200 . 1 1 32 32 LYS HG3 H 1 0.111 0.010 . 2 . . . A 32 LYS HG3 . 25683 1 201 . 1 1 32 32 LYS HE2 H 1 2.768 0.010 . 2 . . . A 32 LYS HE2 . 25683 1 202 . 1 1 32 32 LYS HZ1 H 1 6.510 0.002 . 1 . . . A 32 LYS QZ . 25683 1 203 . 1 1 32 32 LYS HZ2 H 1 6.510 0.002 . 1 . . . A 32 LYS QZ . 25683 1 204 . 1 1 32 32 LYS HZ3 H 1 6.510 0.002 . 1 . . . A 32 LYS QZ . 25683 1 205 . 1 1 33 33 PRO HA H 1 3.809 0.010 . 1 . . . A 33 PRO HA . 25683 1 206 . 1 1 33 33 PRO HB2 H 1 1.464 0.010 . 2 . . . A 33 PRO HB2 . 25683 1 207 . 1 1 33 33 PRO HB3 H 1 1.067 0.010 . 2 . . . A 33 PRO HB3 . 25683 1 208 . 1 1 33 33 PRO HG2 H 1 0.477 0.001 . 2 . . . A 33 PRO HG2 . 25683 1 209 . 1 1 33 33 PRO HG3 H 1 0.120 0.010 . 2 . . . A 33 PRO HG3 . 25683 1 210 . 1 1 33 33 PRO HD2 H 1 2.751 0.010 . 2 . . . A 33 PRO HD2 . 25683 1 211 . 1 1 33 33 PRO HD3 H 1 2.244 0.010 . 2 . . . A 33 PRO HD3 . 25683 1 212 . 1 1 34 34 GLN H H 1 8.329 0.010 . 1 . . . A 34 GLN H . 25683 1 213 . 1 1 34 34 GLN HA H 1 3.650 0.010 . 1 . . . A 34 GLN HA . 25683 1 214 . 1 1 34 34 GLN HB2 H 1 1.750 0.010 . 2 . . . A 34 GLN HB2 . 25683 1 215 . 1 1 34 34 GLN HB3 H 1 1.702 0.010 . 2 . . . A 34 GLN HB3 . 25683 1 216 . 1 1 34 34 GLN HG2 H 1 2.117 0.010 . 2 . . . A 34 GLN HG2 . 25683 1 217 . 1 1 34 34 GLN HE21 H 1 7.405 0.010 . 2 . . . A 34 GLN HE21 . 25683 1 218 . 1 1 34 34 GLN HE22 H 1 6.690 0.003 . 2 . . . A 34 GLN HE22 . 25683 1 219 . 1 1 35 35 GLU H H 1 8.711 0.010 . 1 . . . A 35 GLU H . 25683 1 220 . 1 1 35 35 GLU HA H 1 3.941 0.010 . 1 . . . A 35 GLU HA . 25683 1 221 . 1 1 35 35 GLU HB2 H 1 1.792 0.010 . 2 . . . A 35 GLU HB2 . 25683 1 222 . 1 1 35 35 GLU HB3 H 1 1.694 0.010 . 2 . . . A 35 GLU HB3 . 25683 1 223 . 1 1 35 35 GLU HG2 H 1 2.031 0.010 . 2 . . . A 35 GLU HG2 . 25683 1 224 . 1 1 35 35 GLU HG3 H 1 2.016 0.010 . 2 . . . A 35 GLU HG3 . 25683 1 225 . 1 1 36 36 LEU H H 1 7.602 0.010 . 1 . . . A 36 LEU H . 25683 1 226 . 1 1 36 36 LEU HA H 1 4.129 0.010 . 1 . . . A 36 LEU HA . 25683 1 227 . 1 1 36 36 LEU HB2 H 1 1.307 0.010 . 2 . . . A 36 LEU HB2 . 25683 1 228 . 1 1 36 36 LEU HB3 H 1 1.053 0.010 . 2 . . . A 36 LEU HB3 . 25683 1 229 . 1 1 36 36 LEU HG H 1 1.080 0.010 . 1 . . . A 36 LEU HG . 25683 1 230 . 1 1 36 36 LEU HD11 H 1 0.564 0.010 . 2 . . . A 36 LEU MD1 . 25683 1 231 . 1 1 36 36 LEU HD12 H 1 0.564 0.010 . 2 . . . A 36 LEU MD1 . 25683 1 232 . 1 1 36 36 LEU HD13 H 1 0.564 0.010 . 2 . . . A 36 LEU MD1 . 25683 1 233 . 1 1 36 36 LEU HD21 H 1 0.480 0.010 . 2 . . . A 36 LEU MD2 . 25683 1 234 . 1 1 36 36 LEU HD22 H 1 0.480 0.010 . 2 . . . A 36 LEU MD2 . 25683 1 235 . 1 1 36 36 LEU HD23 H 1 0.480 0.010 . 2 . . . A 36 LEU MD2 . 25683 1 236 . 1 1 37 37 LYS H H 1 7.502 0.010 . 1 . . . A 37 LYS H . 25683 1 237 . 1 1 37 37 LYS HA H 1 3.786 0.010 . 1 . . . A 37 LYS HA . 25683 1 238 . 1 1 37 37 LYS HB2 H 1 1.569 0.010 . 2 . . . A 37 LYS HB2 . 25683 1 239 . 1 1 37 37 LYS HB3 H 1 1.465 0.010 . 2 . . . A 37 LYS HB3 . 25683 1 240 . 1 1 37 37 LYS HG2 H 1 1.142 0.010 . 2 . . . A 37 LYS HG2 . 25683 1 241 . 1 1 37 37 LYS HG3 H 1 1.037 0.010 . 2 . . . A 37 LYS HG3 . 25683 1 242 . 1 1 37 37 LYS HD2 H 1 1.385 0.002 . 2 . . . A 37 LYS HD2 . 25683 1 243 . 1 1 37 37 LYS HE2 H 1 2.939 0.473 . 2 . . . A 37 LYS HE2 . 25683 1 244 . 1 1 37 37 LYS HZ1 H 1 7.436 0.010 . 1 . . . A 37 LYS QZ . 25683 1 245 . 1 1 37 37 LYS HZ2 H 1 7.436 0.010 . 1 . . . A 37 LYS QZ . 25683 1 246 . 1 1 37 37 LYS HZ3 H 1 7.436 0.010 . 1 . . . A 37 LYS QZ . 25683 1 stop_ save_