data_31073 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31073 _Entry.Title ; Reelin C-Terminal Region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-03 _Entry.Accession_date 2023-02-03 _Entry.Last_release_date 2023-03-06 _Entry.Original_release_date 2023-03-06 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Chandrahas A. . . . 31073 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alzheimers disease' . 31073 'GAG interaction' . 31073 'SUGAR BINDING PROTEIN' . 31073 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31073 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 92 31073 '15N chemical shifts' 33 31073 '1H chemical shifts' 216 31073 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 . . 2023-05-23 . original BMRB . 31073 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8G21 'BMRB Entry Tracking System' 31073 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31073 _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 ; Reelin C-Terminal Region ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 A. Chandrahas A. . . . 31073 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31073 _Assembly.ID 1 _Assembly.Name 'Reelin (E.C.3.4.21.-)' _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 unit_1 1 $entity_1 A A yes . . . . . . 31073 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31073 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STRKQNYMMNFSRQHGLRHF YNRRRRSLRRYP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal residues 3429-3460' _Entity.Mutation . _Entity.EC_number 3.4.21.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4225.879 _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 . SER . 31073 1 2 . THR . 31073 1 3 . ARG . 31073 1 4 . LYS . 31073 1 5 . GLN . 31073 1 6 . ASN . 31073 1 7 . TYR . 31073 1 8 . MET . 31073 1 9 . MET . 31073 1 10 . ASN . 31073 1 11 . PHE . 31073 1 12 . SER . 31073 1 13 . ARG . 31073 1 14 . GLN . 31073 1 15 . HIS . 31073 1 16 . GLY . 31073 1 17 . LEU . 31073 1 18 . ARG . 31073 1 19 . HIS . 31073 1 20 . PHE . 31073 1 21 . TYR . 31073 1 22 . ASN . 31073 1 23 . ARG . 31073 1 24 . ARG . 31073 1 25 . ARG . 31073 1 26 . ARG . 31073 1 27 . SER . 31073 1 28 . LEU . 31073 1 29 . ARG . 31073 1 30 . ARG . 31073 1 31 . TYR . 31073 1 32 . PRO . 31073 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 . SER 1 1 31073 1 . THR 2 2 31073 1 . ARG 3 3 31073 1 . LYS 4 4 31073 1 . GLN 5 5 31073 1 . ASN 6 6 31073 1 . TYR 7 7 31073 1 . MET 8 8 31073 1 . MET 9 9 31073 1 . ASN 10 10 31073 1 . PHE 11 11 31073 1 . SER 12 12 31073 1 . ARG 13 13 31073 1 . GLN 14 14 31073 1 . HIS 15 15 31073 1 . GLY 16 16 31073 1 . LEU 17 17 31073 1 . ARG 18 18 31073 1 . HIS 19 19 31073 1 . PHE 20 20 31073 1 . TYR 21 21 31073 1 . ASN 22 22 31073 1 . ARG 23 23 31073 1 . ARG 24 24 31073 1 . ARG 25 25 31073 1 . ARG 26 26 31073 1 . SER 27 27 31073 1 . LEU 28 28 31073 1 . ARG 29 29 31073 1 . ARG 30 30 31073 1 . TYR 31 31 31073 1 . PRO 32 32 31073 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 31073 _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 . . . . . . . . . . . RELN . 31073 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 31073 _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' . . 562 Escherichia coli . . . . . . pET28a . . . 31073 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31073 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 3.3 mM [U-98% 15N] Reelin CTR, 50 % v/v THF (CF3-CD2-OH), 0.25 mM DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid), 50% H2O/50% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% H2O/50% 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 'Reelin CTR' '[U-98% 15N]' . . 1 $entity_1 . . 3.3 . . mM . . . . 31073 1 2 'THF (CF3-CD2-OH)' 'natural abundance' . . . . . . 50 . . '% v/v' . . . . 31073 1 3 'DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid)' 'natural abundance' . . . . . . 0.25 . . mM . . . . 31073 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 31073 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 7.4 . pH 31073 1 temperature 298.15 . K 31073 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31073 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 31073 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31073 1 'structure calculation' . 31073 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31073 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 31073 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31073 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31073 _Software.ID 3 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 31073 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31073 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31073 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31073 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31073 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31073 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31073 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31073 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31073 _Software.ID 6 _Software.Type . _Software.Name PyMOL _Software.Version 2.5.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schrodinger and DeLano' . . 31073 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31073 6 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 31073 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'Direct Drive' _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 31073 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Agilent 'Direct Drive' . 600 . . . 31073 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 31073 _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 '1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 1 2 '1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 1 3 '2D 1H-15N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 1 4 '2D 1H-13C' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 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 31073 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.10139 . . . . . 31073 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 31073 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '1H TOCSY' . . . 31073 1 2 '1H NOESY' . . . 31073 1 3 '2D 1H-15N' . . . 31073 1 4 '2D 1H-13C' . . . 31073 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 SER HA H 1 4.242 0.001 . 1 . . 140 . A 1 SER HA . 31073 1 2 . 1 . 1 1 1 SER HB2 H 1 4.036 0.003 . 2 . . 139 . A 1 SER HB2 . 31073 1 3 . 1 . 1 1 1 SER HB3 H 1 4.084 0.001 . 2 . . 137 . A 1 SER HB3 . 31073 1 4 . 1 . 1 1 1 SER CA C 13 57.488 . . 1 . . 141 . A 1 SER CA . 31073 1 5 . 1 . 1 1 1 SER CB C 13 64.091 0.021 . 1 . . 138 . A 1 SER CB . 31073 1 6 . 1 . 1 2 2 THR HA H 1 4.542 . . 1 . . 205 . A 2 THR HA . 31073 1 7 . 1 . 1 2 2 THR HB H 1 4.534 . . 1 . . 203 . A 2 THR HB . 31073 1 8 . 1 . 1 2 2 THR HG21 H 1 1.344 0.0 . 1 . . 109 . A 2 THR HG21 . 31073 1 9 . 1 . 1 2 2 THR HG22 H 1 1.344 0.0 . 1 . . 109 . A 2 THR HG22 . 31073 1 10 . 1 . 1 2 2 THR HG23 H 1 1.344 0.0 . 1 . . 109 . A 2 THR HG23 . 31073 1 11 . 1 . 1 2 2 THR CA C 13 62.046 . . 1 . . 206 . A 2 THR CA . 31073 1 12 . 1 . 1 2 2 THR CB C 13 70.429 . . 1 . . 204 . A 2 THR CB . 31073 1 13 . 1 . 1 2 2 THR CG2 C 13 21.527 0.0 . 1 . . 110 . A 2 THR CG2 . 31073 1 14 . 1 . 1 3 3 ARG H H 1 8.616 0.0 . 1 . . 62 . A 3 ARG H . 31073 1 15 . 1 . 1 3 3 ARG HA H 1 4.230 0.002 . 1 . . 114 . A 3 ARG HA . 31073 1 16 . 1 . 1 3 3 ARG HB3 H 1 1.919 0.002 . 1 . . 288 . A 3 ARG HB3 . 31073 1 17 . 1 . 1 3 3 ARG HG2 H 1 1.695 . . 2 . . 290 . A 3 ARG HG2 . 31073 1 18 . 1 . 1 3 3 ARG HG3 H 1 1.812 0.001 . 2 . . 289 . A 3 ARG HG3 . 31073 1 19 . 1 . 1 3 3 ARG HD3 H 1 3.268 0.001 . 1 . . 287 . A 3 ARG HD3 . 31073 1 20 . 1 . 1 3 3 ARG HE H 1 7.255 . . 1 . . 352 . A 3 ARG HE . 31073 1 21 . 1 . 1 3 3 ARG CA C 13 58.900 . . 1 . . 359 . A 3 ARG CA . 31073 1 22 . 1 . 1 3 3 ARG N N 15 122.061 . . 1 . . 63 . A 3 ARG N . 31073 1 23 . 1 . 1 4 4 LYS H H 1 8.213 0.001 . 1 . . 19 . A 4 LYS H . 31073 1 24 . 1 . 1 4 4 LYS HA H 1 4.167 0.003 . 1 . . 209 . A 4 LYS HA . 31073 1 25 . 1 . 1 4 4 LYS HB3 H 1 1.898 0.003 . 1 . . 258 . A 4 LYS HB3 . 31073 1 26 . 1 . 1 4 4 LYS HG2 H 1 1.562 0.004 . 2 . . 257 . A 4 LYS HG2 . 31073 1 27 . 1 . 1 4 4 LYS HG3 H 1 1.485 0.004 . 2 . . 255 . A 4 LYS HG3 . 31073 1 28 . 1 . 1 4 4 LYS HD3 H 1 1.764 0.003 . 1 . . 260 . A 4 LYS HD3 . 31073 1 29 . 1 . 1 4 4 LYS HE3 H 1 3.025 0.001 . 1 . . 253 . A 4 LYS HE3 . 31073 1 30 . 1 . 1 4 4 LYS CA C 13 59.126 . . 1 . . 252 . A 4 LYS CA . 31073 1 31 . 1 . 1 4 4 LYS CB C 13 32.638 . . 1 . . 259 . A 4 LYS CB . 31073 1 32 . 1 . 1 4 4 LYS CG C 13 25.211 0.01 . 1 . . 256 . A 4 LYS CG . 31073 1 33 . 1 . 1 4 4 LYS CD C 13 29.428 . . 1 . . 261 . A 4 LYS CD . 31073 1 34 . 1 . 1 4 4 LYS CE C 13 42.156 . . 1 . . 254 . A 4 LYS CE . 31073 1 35 . 1 . 1 4 4 LYS N N 15 122.114 . . 1 . . 20 . A 4 LYS N . 31073 1 36 . 1 . 1 5 5 GLN H H 1 8.133 0.001 . 1 . . 41 . A 5 GLN H . 31073 1 37 . 1 . 1 5 5 GLN HA H 1 4.145 . . 1 . . 147 . A 5 GLN HA . 31073 1 38 . 1 . 1 5 5 GLN HB2 H 1 2.127 0.003 . 2 . . 146 . A 5 GLN HB2 . 31073 1 39 . 1 . 1 5 5 GLN HB3 H 1 2.229 0.0 . 2 . . 144 . A 5 GLN HB3 . 31073 1 40 . 1 . 1 5 5 GLN HG3 H 1 2.469 0.0 . 1 . . 142 . A 5 GLN HG3 . 31073 1 41 . 1 . 1 5 5 GLN HE21 H 1 7.280 0.001 . 1 . . 149 . A 5 GLN HE21 . 31073 1 42 . 1 . 1 5 5 GLN HE22 H 1 6.740 0.001 . 1 . . 151 . A 5 GLN HE22 . 31073 1 43 . 1 . 1 5 5 GLN CA C 13 58.970 . . 1 . . 148 . A 5 GLN CA . 31073 1 44 . 1 . 1 5 5 GLN CB C 13 28.720 0.003 . 1 . . 145 . A 5 GLN CB . 31073 1 45 . 1 . 1 5 5 GLN CG C 13 34.070 . . 1 . . 143 . A 5 GLN CG . 31073 1 46 . 1 . 1 5 5 GLN N N 15 118.628 . . 1 . . 42 . A 5 GLN N . 31073 1 47 . 1 . 1 5 5 GLN NE2 N 15 109.727 0.004 . 1 . . 150 . A 5 GLN NE2 . 31073 1 48 . 1 . 1 6 6 ASN H H 1 8.343 0.001 . 1 . . 3 . A 6 ASN H . 31073 1 49 . 1 . 1 6 6 ASN HA H 1 4.555 0.002 . 1 . . 121 . A 6 ASN HA . 31073 1 50 . 1 . 1 6 6 ASN HB2 H 1 2.940 0.001 . 2 . . 123 . A 6 ASN HB2 . 31073 1 51 . 1 . 1 6 6 ASN HB3 H 1 2.860 0.002 . 2 . . 122 . A 6 ASN HB3 . 31073 1 52 . 1 . 1 6 6 ASN HD21 H 1 7.430 0.002 . 1 . . 166 . A 6 ASN HD21 . 31073 1 53 . 1 . 1 6 6 ASN HD22 H 1 6.816 0.002 . 1 . . 168 . A 6 ASN HD22 . 31073 1 54 . 1 . 1 6 6 ASN CA C 13 56.110 . . 1 . . 231 . A 6 ASN CA . 31073 1 55 . 1 . 1 6 6 ASN CB C 13 38.581 0.002 . 1 . . 230 . A 6 ASN CB . 31073 1 56 . 1 . 1 6 6 ASN N N 15 117.996 . . 1 . . 4 . A 6 ASN N . 31073 1 57 . 1 . 1 6 6 ASN ND2 N 15 110.607 0.005 . 1 . . 167 . A 6 ASN ND2 . 31073 1 58 . 1 . 1 7 7 TYR H H 1 8.348 0.001 . 1 . . 11 . A 7 TYR H . 31073 1 59 . 1 . 1 7 7 TYR HA H 1 4.333 0.002 . 1 . . 120 . A 7 TYR HA . 31073 1 60 . 1 . 1 7 7 TYR HB2 H 1 3.230 . . 1 . . 228 . A 7 TYR HB2 . 31073 1 61 . 1 . 1 7 7 TYR HD1 H 1 7.134 0.001 . 1 . . 244 . A 7 TYR HD1 . 31073 1 62 . 1 . 1 7 7 TYR HD2 H 1 7.134 0.001 . 1 . . 244 . A 7 TYR HD2 . 31073 1 63 . 1 . 1 7 7 TYR HE1 H 1 6.809 0.002 . 1 . . 246 . A 7 TYR HE1 . 31073 1 64 . 1 . 1 7 7 TYR HE2 H 1 6.809 0.002 . 1 . . 246 . A 7 TYR HE2 . 31073 1 65 . 1 . 1 7 7 TYR CA C 13 61.413 . . 1 . . 227 . A 7 TYR CA . 31073 1 66 . 1 . 1 7 7 TYR CD1 C 13 133.049 . . 1 . . 245 . A 7 TYR CD1 . 31073 1 67 . 1 . 1 7 7 TYR CD2 C 13 133.049 . . 1 . . 245 . A 7 TYR CD2 . 31073 1 68 . 1 . 1 7 7 TYR CE1 C 13 117.991 . . 1 . . 247 . A 7 TYR CE1 . 31073 1 69 . 1 . 1 7 7 TYR CE2 C 13 117.991 . . 1 . . 247 . A 7 TYR CE2 . 31073 1 70 . 1 . 1 7 7 TYR N N 15 121.257 . . 1 . . 12 . A 7 TYR N . 31073 1 71 . 1 . 1 8 8 MET H H 1 8.466 0.001 . 1 . . 52 . A 8 MET H . 31073 1 72 . 1 . 1 8 8 MET HA H 1 4.360 . . 1 . . 224 . A 8 MET HA . 31073 1 73 . 1 . 1 8 8 MET HB2 H 1 2.287 . . 2 . . 176 . A 8 MET HB2 . 31073 1 74 . 1 . 1 8 8 MET HB3 H 1 2.260 0.0 . 2 . . 174 . A 8 MET HB3 . 31073 1 75 . 1 . 1 8 8 MET HG2 H 1 2.824 0.004 . 2 . . 179 . A 8 MET HG2 . 31073 1 76 . 1 . 1 8 8 MET HG3 H 1 2.691 0.004 . 2 . . 178 . A 8 MET HG3 . 31073 1 77 . 1 . 1 8 8 MET HE1 H 1 2.097 . . 1 . . 220 . A 8 MET HE1 . 31073 1 78 . 1 . 1 8 8 MET HE2 H 1 2.097 . . 1 . . 220 . A 8 MET HE2 . 31073 1 79 . 1 . 1 8 8 MET HE3 H 1 2.097 . . 1 . . 220 . A 8 MET HE3 . 31073 1 80 . 1 . 1 8 8 MET CA C 13 58.181 . . 1 . . 225 . A 8 MET CA . 31073 1 81 . 1 . 1 8 8 MET CB C 13 31.921 0.007 . 1 . . 175 . A 8 MET CB . 31073 1 82 . 1 . 1 8 8 MET CG C 13 32.090 0.008 . 1 . . 180 . A 8 MET CG . 31073 1 83 . 1 . 1 8 8 MET CE C 13 15.837 . . 1 . . 221 . A 8 MET CE . 31073 1 84 . 1 . 1 8 8 MET N N 15 118.514 . . 1 . . 53 . A 8 MET N . 31073 1 85 . 1 . 1 9 9 MET H H 1 8.532 0.0 . 1 . . 31 . A 9 MET H . 31073 1 86 . 1 . 1 9 9 MET HA H 1 4.294 0.001 . 1 . . 115 . A 9 MET HA . 31073 1 87 . 1 . 1 9 9 MET HB2 H 1 2.283 0.004 . 2 . . 117 . A 9 MET HB2 . 31073 1 88 . 1 . 1 9 9 MET HB3 H 1 2.215 0.002 . 2 . . 116 . A 9 MET HB3 . 31073 1 89 . 1 . 1 9 9 MET HG2 H 1 2.788 0.0 . 2 . . 119 . A 9 MET HG2 . 31073 1 90 . 1 . 1 9 9 MET HG3 H 1 2.629 0.002 . 2 . . 118 . A 9 MET HG3 . 31073 1 91 . 1 . 1 9 9 MET HE1 H 1 2.144 . . 1 . . 222 . A 9 MET HE1 . 31073 1 92 . 1 . 1 9 9 MET HE2 H 1 2.144 . . 1 . . 222 . A 9 MET HE2 . 31073 1 93 . 1 . 1 9 9 MET HE3 H 1 2.144 . . 1 . . 222 . A 9 MET HE3 . 31073 1 94 . 1 . 1 9 9 MET CA C 13 58.717 . . 1 . . 226 . A 9 MET CA . 31073 1 95 . 1 . 1 9 9 MET CB C 13 32.310 0.01 . 1 . . 173 . A 9 MET CB . 31073 1 96 . 1 . 1 9 9 MET CG C 13 32.152 0.001 . 1 . . 177 . A 9 MET CG . 31073 1 97 . 1 . 1 9 9 MET CE C 13 16.483 . . 1 . . 223 . A 9 MET CE . 31073 1 98 . 1 . 1 9 9 MET N N 15 120.027 . . 1 . . 32 . A 9 MET N . 31073 1 99 . 1 . 1 10 10 ASN H H 1 8.097 0.0 . 1 . . 37 . A 10 ASN H . 31073 1 100 . 1 . 1 10 10 ASN HA H 1 4.536 0.0 . 1 . . 106 . A 10 ASN HA . 31073 1 101 . 1 . 1 10 10 ASN HB2 H 1 2.880 0.001 . 2 . . 164 . A 10 ASN HB2 . 31073 1 102 . 1 . 1 10 10 ASN HB3 H 1 2.763 0.001 . 2 . . 162 . A 10 ASN HB3 . 31073 1 103 . 1 . 1 10 10 ASN HD21 H 1 7.416 . . 1 . . 161 . A 10 ASN HD21 . 31073 1 104 . 1 . 1 10 10 ASN HD22 H 1 6.809 . . 1 . . 163 . A 10 ASN HD22 . 31073 1 105 . 1 . 1 10 10 ASN CA C 13 56.472 . . 1 . . 234 . A 10 ASN CA . 31073 1 106 . 1 . 1 10 10 ASN CB C 13 38.745 0.002 . 1 . . 233 . A 10 ASN CB . 31073 1 107 . 1 . 1 10 10 ASN N N 15 118.201 . . 1 . . 38 . A 10 ASN N . 31073 1 108 . 1 . 1 10 10 ASN ND2 N 15 112.008 0.003 . 1 . . 165 . A 10 ASN ND2 . 31073 1 109 . 1 . 1 11 11 PHE H H 1 8.729 0.001 . 1 . . 43 . A 11 PHE H . 31073 1 110 . 1 . 1 11 11 PHE HA H 1 4.271 0.003 . 1 . . 136 . A 11 PHE HA . 31073 1 111 . 1 . 1 11 11 PHE HB2 H 1 3.213 0.001 . 2 . . 135 . A 11 PHE HB2 . 31073 1 112 . 1 . 1 11 11 PHE HB3 H 1 3.043 0.001 . 2 . . 134 . A 11 PHE HB3 . 31073 1 113 . 1 . 1 11 11 PHE HD1 H 1 7.237 . . 1 . . 291 . A 11 PHE HD1 . 31073 1 114 . 1 . 1 11 11 PHE HD2 H 1 7.237 . . 1 . . 291 . A 11 PHE HD2 . 31073 1 115 . 1 . 1 11 11 PHE HE1 H 1 7.285 . . 1 . . 300 . A 11 PHE HE1 . 31073 1 116 . 1 . 1 11 11 PHE HE2 H 1 7.285 . . 1 . . 300 . A 11 PHE HE2 . 31073 1 117 . 1 . 1 11 11 PHE HZ H 1 7.192 . . 1 . . 324 . A 11 PHE HZ . 31073 1 118 . 1 . 1 11 11 PHE CB C 13 39.267 0.01 . 1 . . 293 . A 11 PHE CB . 31073 1 119 . 1 . 1 11 11 PHE CD1 C 13 131.803 . . 1 . . 292 . A 11 PHE CD1 . 31073 1 120 . 1 . 1 11 11 PHE CD2 C 13 131.803 . . 1 . . 292 . A 11 PHE CD2 . 31073 1 121 . 1 . 1 11 11 PHE CE1 C 13 131.103 . . 1 . . 301 . A 11 PHE CE1 . 31073 1 122 . 1 . 1 11 11 PHE CE2 C 13 131.103 . . 1 . . 301 . A 11 PHE CE2 . 31073 1 123 . 1 . 1 11 11 PHE CZ C 13 129.700 . . 1 . . 325 . A 11 PHE CZ . 31073 1 124 . 1 . 1 11 11 PHE N N 15 121.042 . . 1 . . 44 . A 11 PHE N . 31073 1 125 . 1 . 1 12 12 SER H H 1 8.482 0.001 . 1 . . 17 . A 12 SER H . 31073 1 126 . 1 . 1 12 12 SER HA H 1 4.236 0.001 . 1 . . 91 . A 12 SER HA . 31073 1 127 . 1 . 1 12 12 SER HB2 H 1 4.111 0.0 . 2 . . 92 . A 12 SER HB2 . 31073 1 128 . 1 . 1 12 12 SER HB3 H 1 4.180 0.002 . 2 . . 126 . A 12 SER HB2 . 31073 1 129 . 1 . 1 12 12 SER CA C 13 61.840 . . 1 . . 133 . A 12 SER CA . 31073 1 130 . 1 . 1 12 12 SER CB C 13 63.008 0.014 . 1 . . 127 . A 12 SER CB . 31073 1 131 . 1 . 1 12 12 SER N N 15 115.064 . . 1 . . 18 . A 12 SER N . 31073 1 132 . 1 . 1 13 13 ARG H H 1 8.147 0.0 . 1 . . 33 . A 13 ARG H . 31073 1 133 . 1 . 1 13 13 ARG HA H 1 4.216 0.0 . 1 . . 102 . A 13 ARG HA . 31073 1 134 . 1 . 1 13 13 ARG HB2 H 1 2.035 0.002 . 1 . . 284 . A 13 ARG HB2 . 31073 1 135 . 1 . 1 13 13 ARG HG2 H 1 1.710 0.004 . 1 . . 295 . A 13 ARG HG2 . 31073 1 136 . 1 . 1 13 13 ARG HD2 H 1 3.262 0.003 . 1 . . 283 . A 13 ARG HD2 . 31073 1 137 . 1 . 1 13 13 ARG HE H 1 7.177 . . 1 . . 282 . A 13 ARG HE . 31073 1 138 . 1 . 1 13 13 ARG CA C 13 59.106 . . 1 . . 358 . A 13 ARG CA . 31073 1 139 . 1 . 1 13 13 ARG CB C 13 30.226 . . 1 . . 294 . A 13 ARG CB . 31073 1 140 . 1 . 1 13 13 ARG N N 15 122.354 . . 1 . . 34 . A 13 ARG N . 31073 1 141 . 1 . 1 14 14 GLN H H 1 8.160 0.003 . 1 . . 7 . A 14 GLN H . 31073 1 142 . 1 . 1 14 14 GLN HA H 1 4.092 0.003 . 1 . . 152 . A 14 GLN HA . 31073 1 143 . 1 . 1 14 14 GLN HB3 H 1 2.085 0.004 . 1 . . 157 . A 14 GLN HB3 . 31073 1 144 . 1 . 1 14 14 GLN HG2 H 1 2.378 0.001 . 2 . . 156 . A 14 GLN HG2 . 31073 1 145 . 1 . 1 14 14 GLN HG3 H 1 2.496 . . 2 . . 154 . A 14 GLN HG3 . 31073 1 146 . 1 . 1 14 14 GLN HE21 H 1 7.168 . . 1 . . 159 . A 14 GLN HE21 . 31073 1 147 . 1 . 1 14 14 GLN HE22 H 1 6.537 . . 1 . . 160 . A 14 GLN HE22 . 31073 1 148 . 1 . 1 14 14 GLN CA C 13 58.204 . . 1 . . 153 . A 14 GLN CA . 31073 1 149 . 1 . 1 14 14 GLN CB C 13 28.411 . . 1 . . 158 . A 14 GLN CB . 31073 1 150 . 1 . 1 14 14 GLN CG C 13 33.822 0.001 . 1 . . 155 . A 14 GLN CG . 31073 1 151 . 1 . 1 14 14 GLN N N 15 117.259 . . 1 . . 8 . A 14 GLN N . 31073 1 152 . 1 . 1 15 15 HIS H H 1 8.193 0.0 . 1 . . 27 . A 15 HIS H . 31073 1 153 . 1 . 1 15 15 HIS HA H 1 4.328 0.002 . 1 . . 219 . A 15 HIS HA . 31073 1 154 . 1 . 1 15 15 HIS HB2 H 1 3.153 0.003 . 2 . . 192 . A 15 HIS HB2 . 31073 1 155 . 1 . 1 15 15 HIS HB3 H 1 2.939 0.004 . 2 . . 190 . A 15 HIS HB3 . 31073 1 156 . 1 . 1 15 15 HIS HD2 H 1 6.909 0.002 . 1 . . 193 . A 15 HIS HD2 . 31073 1 157 . 1 . 1 15 15 HIS HE1 H 1 7.810 0.001 . 1 . . 195 . A 15 HIS HE1 . 31073 1 158 . 1 . 1 15 15 HIS CA C 13 59.185 . . 1 . . 218 . A 15 HIS CA . 31073 1 159 . 1 . 1 15 15 HIS CB C 13 29.565 0.004 . 1 . . 191 . A 15 HIS CB . 31073 1 160 . 1 . 1 15 15 HIS CD2 C 13 119.788 . . 1 . . 194 . A 15 HIS CD2 . 31073 1 161 . 1 . 1 15 15 HIS CE1 C 13 137.172 . . 1 . . 196 . A 15 HIS CE1 . 31073 1 162 . 1 . 1 15 15 HIS N N 15 117.511 . . 1 . . 28 . A 15 HIS N . 31073 1 163 . 1 . 1 16 16 GLY H H 1 8.336 0.001 . 1 . . 50 . A 16 GLY H . 31073 1 164 . 1 . 1 16 16 GLY HA2 H 1 3.972 . . 2 . . 87 . A 16 GLY HA2 . 31073 1 165 . 1 . 1 16 16 GLY HA3 H 1 3.984 . . 2 . . 86 . A 16 GLY HA3 . 31073 1 166 . 1 . 1 16 16 GLY CA C 13 46.964 . . 1 . . 124 . A 16 GLY CA . 31073 1 167 . 1 . 1 16 16 GLY N N 15 107.763 . . 1 . . 51 . A 16 GLY N . 31073 1 168 . 1 . 1 17 17 LEU H H 1 8.212 0.001 . 1 . . 82 . A 17 LEU H . 31073 1 169 . 1 . 1 17 17 LEU HA H 1 4.316 0.003 . 1 . . 68 . A 17 LEU HA . 31073 1 170 . 1 . 1 17 17 LEU HB2 H 1 1.872 0.001 . 2 . . 77 . A 17 LEU HB2 . 31073 1 171 . 1 . 1 17 17 LEU HB3 H 1 1.700 0.001 . 2 . . 83 . A 17 LEU HB2 . 31073 1 172 . 1 . 1 17 17 LEU HG H 1 1.810 0.0 . 1 . . 84 . A 17 LEU HG . 31073 1 173 . 1 . 1 17 17 LEU HD11 H 1 0.976 0.001 . 2 . . 67 . A 17 LEU HD11 . 31073 1 174 . 1 . 1 17 17 LEU HD12 H 1 0.976 0.001 . 2 . . 67 . A 17 LEU HD12 . 31073 1 175 . 1 . 1 17 17 LEU HD13 H 1 0.976 0.001 . 2 . . 67 . A 17 LEU HD13 . 31073 1 176 . 1 . 1 17 17 LEU HD21 H 1 0.936 0.002 . 2 . . 69 . A 17 LEU HD21 . 31073 1 177 . 1 . 1 17 17 LEU HD22 H 1 0.936 0.002 . 2 . . 69 . A 17 LEU HD22 . 31073 1 178 . 1 . 1 17 17 LEU HD23 H 1 0.936 0.002 . 2 . . 69 . A 17 LEU HD23 . 31073 1 179 . 1 . 1 17 17 LEU CA C 13 57.715 . . 1 . . 130 . A 17 LEU CA . 31073 1 180 . 1 . 1 17 17 LEU CB C 13 41.982 0.007 . 1 . . 78 . A 17 LEU CB . 31073 1 181 . 1 . 1 17 17 LEU CG C 13 26.683 0.011 . 1 . . 85 . A 17 LEU CG . 31073 1 182 . 1 . 1 17 17 LEU CD1 C 13 24.307 0.001 . 2 . . 76 . A 17 LEU CD1 . 31073 1 183 . 1 . 1 17 17 LEU CD2 C 13 23.085 0.002 . 2 . . 75 . A 17 LEU CD2 . 31073 1 184 . 1 . 1 17 17 LEU N N 15 119.662 . . 1 . . 49 . A 17 LEU N . 31073 1 185 . 1 . 1 18 18 ARG H H 1 8.006 0.001 . 1 . . 13 . A 18 ARG H . 31073 1 186 . 1 . 1 18 18 ARG HA H 1 4.113 0.002 . 1 . . 281 . A 18 ARG HA . 31073 1 187 . 1 . 1 18 18 ARG HB2 H 1 1.906 . . 2 . . 296 . A 18 ARG HB2 . 31073 1 188 . 1 . 1 18 18 ARG HB3 H 1 1.790 . . 2 . . 328 . A 18 ARG HB2 . 31073 1 189 . 1 . 1 18 18 ARG HG2 H 1 1.667 0.001 . 1 . . 297 . A 18 ARG HG2 . 31073 1 190 . 1 . 1 18 18 ARG HD2 H 1 3.195 0.004 . 1 . . 285 . A 18 ARG HD2 . 31073 1 191 . 1 . 1 18 18 ARG HE H 1 7.308 . . 1 . . 354 . A 18 ARG HE . 31073 1 192 . 1 . 1 18 18 ARG N N 15 117.894 . . 1 . . 14 . A 18 ARG N . 31073 1 193 . 1 . 1 19 19 HIS H H 1 8.103 0.001 . 1 . . 45 . A 19 HIS H . 31073 1 194 . 1 . 1 19 19 HIS HA H 1 4.445 0.001 . 1 . . 108 . A 19 HIS HA . 31073 1 195 . 1 . 1 19 19 HIS HB2 H 1 3.245 0.004 . 2 . . 111 . A 19 HIS HB2 . 31073 1 196 . 1 . 1 19 19 HIS HB3 H 1 3.160 0.004 . 2 . . 198 . A 19 HIS HB2 . 31073 1 197 . 1 . 1 19 19 HIS HD2 H 1 6.894 0.0 . 1 . . 201 . A 19 HIS HD2 . 31073 1 198 . 1 . 1 19 19 HIS HE1 H 1 7.884 0.001 . 1 . . 199 . A 19 HIS HE1 . 31073 1 199 . 1 . 1 19 19 HIS CA C 13 59.381 . . 1 . . 316 . A 19 HIS CA . 31073 1 200 . 1 . 1 19 19 HIS CB C 13 29.709 0.003 . 1 . . 197 . A 19 HIS CB . 31073 1 201 . 1 . 1 19 19 HIS CD2 C 13 120.097 . . 1 . . 202 . A 19 HIS CD2 . 31073 1 202 . 1 . 1 19 19 HIS CE1 C 13 137.606 . . 1 . . 200 . A 19 HIS CE1 . 31073 1 203 . 1 . 1 19 19 HIS N N 15 118.043 . . 1 . . 46 . A 19 HIS N . 31073 1 204 . 1 . 1 20 20 PHE H H 1 8.267 0.0 . 1 . . 5 . A 20 PHE H . 31073 1 205 . 1 . 1 20 20 PHE HA H 1 4.292 0.0 . 1 . . 189 . A 20 PHE HA . 31073 1 206 . 1 . 1 20 20 PHE HB2 H 1 3.267 0.002 . 1 . . 248 . A 20 PHE HB2 . 31073 1 207 . 1 . 1 20 20 PHE HD1 H 1 7.164 0.002 . 1 . . 250 . A 20 PHE HD1 . 31073 1 208 . 1 . 1 20 20 PHE HD2 H 1 7.164 0.002 . 1 . . 250 . A 20 PHE HD2 . 31073 1 209 . 1 . 1 20 20 PHE HE1 H 1 7.307 0.0 . 1 . . 251 . A 20 PHE HE1 . 31073 1 210 . 1 . 1 20 20 PHE HE2 H 1 7.307 0.0 . 1 . . 251 . A 20 PHE HE2 . 31073 1 211 . 1 . 1 20 20 PHE HZ H 1 7.303 0.004 . 1 . . 326 . A 20 PHE HZ . 31073 1 212 . 1 . 1 20 20 PHE CA C 13 61.146 . . 1 . . 360 . A 20 PHE CA . 31073 1 213 . 1 . 1 20 20 PHE CB C 13 39.044 . . 1 . . 249 . A 20 PHE CB . 31073 1 214 . 1 . 1 20 20 PHE CD1 C 13 131.683 . . 1 . . 298 . A 20 PHE CD1 . 31073 1 215 . 1 . 1 20 20 PHE CD2 C 13 131.683 . . 1 . . 298 . A 20 PHE CD2 . 31073 1 216 . 1 . 1 20 20 PHE CE1 C 13 131.081 . . 1 . . 299 . A 20 PHE CE1 . 31073 1 217 . 1 . 1 20 20 PHE CE2 C 13 131.081 . . 1 . . 299 . A 20 PHE CE2 . 31073 1 218 . 1 . 1 20 20 PHE CZ C 13 129.683 . . 1 . . 327 . A 20 PHE CZ . 31073 1 219 . 1 . 1 20 20 PHE N N 15 120.098 . . 1 . . 6 . A 20 PHE N . 31073 1 220 . 1 . 1 21 21 TYR H H 1 8.640 0.0 . 1 . . 25 . A 21 TYR H . 31073 1 221 . 1 . 1 21 21 TYR HA H 1 4.182 . . 1 . . 235 . A 21 TYR HA . 31073 1 222 . 1 . 1 21 21 TYR HB2 H 1 3.172 0.002 . 1 . . 237 . A 21 TYR HB2 . 31073 1 223 . 1 . 1 21 21 TYR HD1 H 1 7.179 0.0 . 1 . . 239 . A 21 TYR HD1 . 31073 1 224 . 1 . 1 21 21 TYR HD2 H 1 7.179 0.0 . 1 . . 239 . A 21 TYR HD2 . 31073 1 225 . 1 . 1 21 21 TYR HE1 H 1 6.876 0.001 . 1 . . 241 . A 21 TYR HE1 . 31073 1 226 . 1 . 1 21 21 TYR HE2 H 1 6.876 0.001 . 1 . . 241 . A 21 TYR HE2 . 31073 1 227 . 1 . 1 21 21 TYR CA C 13 61.075 . . 1 . . 236 . A 21 TYR CA . 31073 1 228 . 1 . 1 21 21 TYR CB C 13 38.165 . . 1 . . 238 . A 21 TYR CB . 31073 1 229 . 1 . 1 21 21 TYR CD1 C 13 132.870 . . 1 . . 240 . A 21 TYR CD1 . 31073 1 230 . 1 . 1 21 21 TYR CD2 C 13 132.870 . . 1 . . 240 . A 21 TYR CD2 . 31073 1 231 . 1 . 1 21 21 TYR CE1 C 13 117.970 . . 1 . . 242 . A 21 TYR CE1 . 31073 1 232 . 1 . 1 21 21 TYR CE2 C 13 117.970 . . 1 . . 242 . A 21 TYR CE2 . 31073 1 233 . 1 . 1 21 21 TYR N N 15 119.579 . . 1 . . 26 . A 21 TYR N . 31073 1 234 . 1 . 1 22 22 ASN H H 1 8.295 0.0 . 1 . . 29 . A 22 ASN H . 31073 1 235 . 1 . 1 22 22 ASN HA H 1 4.490 0.001 . 1 . . 169 . A 22 ASN HA . 31073 1 236 . 1 . 1 22 22 ASN HB2 H 1 2.979 0.003 . 2 . . 208 . A 22 ASN HB2 . 31073 1 237 . 1 . 1 22 22 ASN HB3 H 1 2.839 0.004 . 2 . . 207 . A 22 ASN HB3 . 31073 1 238 . 1 . 1 22 22 ASN HD21 H 1 7.676 0.0 . 1 . . 170 . A 22 ASN HD21 . 31073 1 239 . 1 . 1 22 22 ASN HD22 H 1 6.779 0.001 . 1 . . 172 . A 22 ASN HD22 . 31073 1 240 . 1 . 1 22 22 ASN CA C 13 55.691 . . 1 . . 232 . A 22 ASN CA . 31073 1 241 . 1 . 1 22 22 ASN CB C 13 38.592 0.006 . 1 . . 243 . A 22 ASN CB . 31073 1 242 . 1 . 1 22 22 ASN N N 15 117.830 . . 1 . . 30 . A 22 ASN N . 31073 1 243 . 1 . 1 22 22 ASN ND2 N 15 110.831 0.012 . 1 . . 171 . A 22 ASN ND2 . 31073 1 244 . 1 . 1 23 23 ARG H H 1 8.090 0.001 . 1 . . 58 . A 23 ARG H . 31073 1 245 . 1 . 1 23 23 ARG HA H 1 4.095 0.006 . 1 . . 105 . A 23 ARG HA . 31073 1 246 . 1 . 1 23 23 ARG HB2 H 1 1.884 0.004 . 1 . . 279 . A 23 ARG HB2 . 31073 1 247 . 1 . 1 23 23 ARG HG2 H 1 1.628 . . 1 . . 280 . A 23 ARG HG2 . 31073 1 248 . 1 . 1 23 23 ARG HD2 H 1 3.155 0.001 . 1 . . 278 . A 23 ARG HD2 . 31073 1 249 . 1 . 1 23 23 ARG N N 15 119.770 . . 1 . . 59 . A 23 ARG N . 31073 1 250 . 1 . 1 24 24 ARG H H 1 8.167 0.001 . 1 . . 1 . A 24 ARG H . 31073 1 251 . 1 . 1 24 24 ARG HA H 1 4.088 0.005 . 1 . . 277 . A 24 ARG HA . 31073 1 252 . 1 . 1 24 24 ARG HB2 H 1 1.849 . . 2 . . 321 . A 24 ARG HB2 . 31073 1 253 . 1 . 1 24 24 ARG HB3 H 1 1.708 . . 2 . . 320 . A 24 ARG HB3 . 31073 1 254 . 1 . 1 24 24 ARG HG2 H 1 1.561 0.002 . 1 . . 103 . A 24 ARG HG2 . 31073 1 255 . 1 . 1 24 24 ARG HD2 H 1 3.078 0.003 . 2 . . 276 . A 24 ARG HD2 . 31073 1 256 . 1 . 1 24 24 ARG HD3 H 1 3.040 . . 2 . . 319 . A 24 ARG HD2 . 31073 1 257 . 1 . 1 24 24 ARG HE H 1 7.303 . . 1 . . 322 . A 24 ARG HE . 31073 1 258 . 1 . 1 24 24 ARG N N 15 119.957 . . 1 . . 2 . A 24 ARG N . 31073 1 259 . 1 . 1 25 25 ARG H H 1 8.126 0.001 . 1 . . 35 . A 25 ARG H . 31073 1 260 . 1 . 1 25 25 ARG HA H 1 4.099 0.002 . 1 . . 314 . A 25 ARG HA . 31073 1 261 . 1 . 1 25 25 ARG HB2 H 1 1.870 . . 1 . . 318 . A 25 ARG HB2 . 31073 1 262 . 1 . 1 25 25 ARG HG2 H 1 1.686 . . 1 . . 364 . A 25 ARG HG2 . 31073 1 263 . 1 . 1 25 25 ARG HD2 H 1 3.156 . . 1 . . 363 . A 25 ARG HD2 . 31073 1 264 . 1 . 1 25 25 ARG N N 15 119.233 . . 1 . . 36 . A 25 ARG N . 31073 1 265 . 1 . 1 26 26 ARG H H 1 7.984 0.001 . 1 . . 9 . A 26 ARG H . 31073 1 266 . 1 . 1 26 26 ARG HA H 1 4.277 . . 1 . . 272 . A 26 ARG HA . 31073 1 267 . 1 . 1 26 26 ARG HB2 H 1 1.989 . . 2 . . 274 . A 26 ARG HB2 . 31073 1 268 . 1 . 1 26 26 ARG HB3 H 1 1.897 . . 2 . . 361 . A 26 ARG HB2 . 31073 1 269 . 1 . 1 26 26 ARG HG2 H 1 1.719 . . 2 . . 275 . A 26 ARG HG2 . 31073 1 270 . 1 . 1 26 26 ARG HG3 H 1 1.793 . . 2 . . 362 . A 26 ARG HG2 . 31073 1 271 . 1 . 1 26 26 ARG HD2 H 1 3.214 . . 1 . . 273 . A 26 ARG HD2 . 31073 1 272 . 1 . 1 26 26 ARG N N 15 118.744 . . 1 . . 10 . A 26 ARG N . 31073 1 273 . 1 . 1 27 27 SER H H 1 7.957 0.001 . 1 . . 23 . A 27 SER H . 31073 1 274 . 1 . 1 27 27 SER HA H 1 4.467 0.005 . 1 . . 72 . A 27 SER HA . 31073 1 275 . 1 . 1 27 27 SER HB2 H 1 4.026 0.001 . 2 . . 71 . A 27 SER HB2 . 31073 1 276 . 1 . 1 27 27 SER HB3 H 1 3.965 0.001 . 2 . . 70 . A 27 SER HB3 . 31073 1 277 . 1 . 1 27 27 SER CA C 13 59.360 . . 1 . . 125 . A 27 SER CA . 31073 1 278 . 1 . 1 27 27 SER CB C 13 63.853 0.001 . 1 . . 132 . A 27 SER CB . 31073 1 279 . 1 . 1 27 27 SER N N 15 114.648 . . 1 . . 24 . A 27 SER N . 31073 1 280 . 1 . 1 28 28 LEU H H 1 7.795 0.0 . 1 . . 15 . A 28 LEU H . 31073 1 281 . 1 . 1 28 28 LEU HA H 1 4.394 0.002 . 1 . . 65 . A 28 LEU HA . 31073 1 282 . 1 . 1 28 28 LEU HB2 H 1 1.663 0.0 . 2 . . 81 . A 28 LEU HB2 . 31073 1 283 . 1 . 1 28 28 LEU HB3 H 1 1.752 0.0 . 2 . . 79 . A 28 LEU HB3 . 31073 1 284 . 1 . 1 28 28 LEU HG H 1 1.761 0.001 . 1 . . 128 . A 28 LEU HG . 31073 1 285 . 1 . 1 28 28 LEU HD11 H 1 0.951 0.001 . 2 . . 64 . A 28 LEU HD11 . 31073 1 286 . 1 . 1 28 28 LEU HD12 H 1 0.951 0.001 . 2 . . 64 . A 28 LEU HD12 . 31073 1 287 . 1 . 1 28 28 LEU HD13 H 1 0.951 0.001 . 2 . . 64 . A 28 LEU HD13 . 31073 1 288 . 1 . 1 28 28 LEU HD21 H 1 0.910 0.001 . 2 . . 66 . A 28 LEU HD21 . 31073 1 289 . 1 . 1 28 28 LEU HD22 H 1 0.910 0.001 . 2 . . 66 . A 28 LEU HD22 . 31073 1 290 . 1 . 1 28 28 LEU HD23 H 1 0.910 0.001 . 2 . . 66 . A 28 LEU HD23 . 31073 1 291 . 1 . 1 28 28 LEU CA C 13 55.520 . . 1 . . 131 . A 28 LEU CA . 31073 1 292 . 1 . 1 28 28 LEU CB C 13 42.315 0.018 . 1 . . 80 . A 28 LEU CB . 31073 1 293 . 1 . 1 28 28 LEU CG C 13 26.725 . . 1 . . 129 . A 28 LEU CG . 31073 1 294 . 1 . 1 28 28 LEU CD1 C 13 24.638 0.0 . 2 . . 74 . A 28 LEU CD1 . 31073 1 295 . 1 . 1 28 28 LEU CD2 C 13 22.683 0.003 . 2 . . 73 . A 28 LEU CD2 . 31073 1 296 . 1 . 1 28 28 LEU N N 15 122.379 . . 1 . . 16 . A 28 LEU N . 31073 1 297 . 1 . 1 29 29 ARG H H 1 7.911 0.0 . 1 . . 54 . A 29 ARG H . 31073 1 298 . 1 . 1 29 29 ARG HA H 1 4.372 0.0 . 1 . . 89 . A 29 ARG HA . 31073 1 299 . 1 . 1 29 29 ARG HB2 H 1 1.928 . . 2 . . 270 . A 29 ARG HB2 . 31073 1 300 . 1 . 1 29 29 ARG HB3 H 1 1.852 . . 2 . . 269 . A 29 ARG HB3 . 31073 1 301 . 1 . 1 29 29 ARG HG3 H 1 1.645 . . 1 . . 268 . A 29 ARG HG3 . 31073 1 302 . 1 . 1 29 29 ARG HD2 H 1 3.228 0.001 . 1 . . 88 . A 29 ARG HD2 . 31073 1 303 . 1 . 1 29 29 ARG HE H 1 7.203 0.0 . 1 . . 271 . A 29 ARG HE . 31073 1 304 . 1 . 1 29 29 ARG CA C 13 55.911 . . 1 . . 355 . A 29 ARG CA . 31073 1 305 . 1 . 1 29 29 ARG N N 15 119.166 . . 1 . . 55 . A 29 ARG N . 31073 1 306 . 1 . 1 30 30 ARG H H 1 8.152 0.001 . 1 . . 21 . A 30 ARG H . 31073 1 307 . 1 . 1 30 30 ARG HA H 1 4.392 . . 1 . . 90 . A 30 ARG HA . 31073 1 308 . 1 . 1 30 30 ARG HB2 H 1 1.876 . . 2 . . 313 . A 30 ARG HB2 . 31073 1 309 . 1 . 1 30 30 ARG HB3 H 1 1.783 . . 2 . . 365 . A 30 ARG HB2 . 31073 1 310 . 1 . 1 30 30 ARG HG2 H 1 1.649 . . 2 . . 367 . A 30 ARG HG2 . 31073 1 311 . 1 . 1 30 30 ARG HG3 H 1 1.675 . . 2 . . 366 . A 30 ARG HG3 . 31073 1 312 . 1 . 1 30 30 ARG HD2 H 1 3.226 0.002 . 1 . . 104 . A 30 ARG HD2 . 31073 1 313 . 1 . 1 30 30 ARG HE H 1 7.312 . . 1 . . 368 . A 30 ARG HE . 31073 1 314 . 1 . 1 30 30 ARG CA C 13 55.911 . . 1 . . 356 . A 30 ARG CA . 31073 1 315 . 1 . 1 30 30 ARG N N 15 121.685 . . 1 . . 22 . A 30 ARG N . 31073 1 316 . 1 . 1 31 31 TYR H H 1 7.837 0.003 . 1 . . 56 . A 31 TYR H . 31073 1 317 . 1 . 1 31 31 TYR HA H 1 4.702 0.001 . 1 . . 95 . A 31 TYR HA . 31073 1 318 . 1 . 1 31 31 TYR HB2 H 1 2.882 0.0 . 2 . . 94 . A 31 TYR HB2 . 31073 1 319 . 1 . 1 31 31 TYR HB3 H 1 2.924 0.001 . 2 . . 93 . A 31 TYR HB3 . 31073 1 320 . 1 . 1 31 31 TYR HD1 H 1 7.136 0.001 . 1 . . 181 . A 31 TYR HD1 . 31073 1 321 . 1 . 1 31 31 TYR HD2 H 1 7.136 0.001 . 1 . . 181 . A 31 TYR HD2 . 31073 1 322 . 1 . 1 31 31 TYR HE1 H 1 6.865 0.001 . 1 . . 183 . A 31 TYR HE1 . 31073 1 323 . 1 . 1 31 31 TYR HE2 H 1 6.865 0.001 . 1 . . 183 . A 31 TYR HE2 . 31073 1 324 . 1 . 1 31 31 TYR CA C 13 55.948 . . 1 . . 317 . A 31 TYR CA . 31073 1 325 . 1 . 1 31 31 TYR CB C 13 40.906 0.007 . 1 . . 229 . A 31 TYR CB . 31073 1 326 . 1 . 1 31 31 TYR CD1 C 13 133.029 . . 1 . . 182 . A 31 TYR CD1 . 31073 1 327 . 1 . 1 31 31 TYR CD2 C 13 133.029 . . 1 . . 182 . A 31 TYR CD2 . 31073 1 328 . 1 . 1 31 31 TYR CE1 C 13 118.090 . . 1 . . 184 . A 31 TYR CE1 . 31073 1 329 . 1 . 1 31 31 TYR CE2 C 13 118.090 . . 1 . . 184 . A 31 TYR CE2 . 31073 1 330 . 1 . 1 31 31 TYR N N 15 121.443 . . 1 . . 57 . A 31 TYR N . 31073 1 331 . 1 . 1 32 32 PRO HA H 1 3.784 0.0 . 1 . . 96 . A 32 PRO HA . 31073 1 332 . 1 . 1 32 32 PRO HB2 H 1 1.923 . . 2 . . 214 . A 32 PRO HB2 . 31073 1 333 . 1 . 1 32 32 PRO HB3 H 1 1.970 . . 2 . . 212 . A 32 PRO HB3 . 31073 1 334 . 1 . 1 32 32 PRO HG2 H 1 1.743 . . 2 . . 217 . A 32 PRO HG2 . 31073 1 335 . 1 . 1 32 32 PRO HG3 H 1 1.802 . . 2 . . 215 . A 32 PRO HG3 . 31073 1 336 . 1 . 1 32 32 PRO HD2 H 1 3.389 0.004 . 2 . . 101 . A 32 PRO HD2 . 31073 1 337 . 1 . 1 32 32 PRO HD3 H 1 3.555 0.0 . 2 . . 100 . A 32 PRO HD3 . 31073 1 338 . 1 . 1 32 32 PRO CA C 13 64.889 . . 1 . . 210 . A 32 PRO CA . 31073 1 339 . 1 . 1 32 32 PRO CB C 13 33.676 0.031 . 1 . . 213 . A 32 PRO CB . 31073 1 340 . 1 . 1 32 32 PRO CG C 13 24.774 0.007 . 1 . . 216 . A 32 PRO CG . 31073 1 341 . 1 . 1 32 32 PRO CD C 13 49.474 0.013 . 1 . . 211 . A 32 PRO CD . 31073 1 stop_ save_