data_34432 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34432 _Entry.Title ; Protein allostery of the WW domain at atomic resolution: apo structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-18 _Entry.Accession_date 2019-09-18 _Entry.Last_release_date 2019-11-07 _Entry.Original_release_date 2019-11-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34432 stop_ 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 D. Strotz D. . . . 34432 2 J. Orts J. . . . 34432 3 M. Friedmann M. . . . 34432 4 P. Guntert P. . . . 34432 5 B. Vogeli B. . . . 34432 6 R. Riek R. . . . 34432 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PEPTIDE BINDING PROTEIN' . 34432 'STRUCTURE FROM CYANA 3.98.12' . 34432 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34432 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 109 34432 '15N chemical shifts' 35 34432 '1H chemical shifts' 230 34432 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 . . 2020-09-25 . original BMRB . 34432 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SVC . 34432 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34432 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32797659 _Citation.DOI 10.1002/anie.202008734 _Citation.Full_citation . _Citation.Title ; Protein allostery of the WW domain at atomic resolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _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 2020 _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 Dean Strotz D. . . . 34432 1 2 Julilen Orts J. . . . 34432 1 3 Harindranath Kadavath H. . . . 34432 1 4 Michael Friedmann M. . . . 34432 1 5 Dhiman Ghosh D. . . . 34432 1 6 Simon Olsson S. . . . 34432 1 7 Celestine Chi C. . . . 34432 1 8 Aditya Pokharna A. . . . 34432 1 9 Peter Guntert P. . . . 34432 1 10 Beat Vogeli B. . . . 34432 1 11 Roland Riek R. . . . 34432 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34432 _Assembly.ID 1 _Assembly.Name 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8)' _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 entity_1 1 $entity_1 A A yes . . . . . . 34432 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34432 _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 ; SKLPPGWEKRMSRNSGRVYY FNHITNASQFERPSG ; _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 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'S18N, W34F' _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4105.579 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PPIase Pin1' common 34432 1 'Peptidyl-prolyl cis-trans isomerase Pin1' common 34432 1 'Rotamase Pin1' common 34432 1 stop_ 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 5 SER . 34432 1 2 6 LYS . 34432 1 3 7 LEU . 34432 1 4 8 PRO . 34432 1 5 9 PRO . 34432 1 6 10 GLY . 34432 1 7 11 TRP . 34432 1 8 12 GLU . 34432 1 9 13 LYS . 34432 1 10 14 ARG . 34432 1 11 15 MET . 34432 1 12 16 SER . 34432 1 13 17 ARG . 34432 1 14 18 ASN . 34432 1 15 19 SER . 34432 1 16 20 GLY . 34432 1 17 21 ARG . 34432 1 18 22 VAL . 34432 1 19 23 TYR . 34432 1 20 24 TYR . 34432 1 21 25 PHE . 34432 1 22 26 ASN . 34432 1 23 27 HIS . 34432 1 24 28 ILE . 34432 1 25 29 THR . 34432 1 26 30 ASN . 34432 1 27 31 ALA . 34432 1 28 32 SER . 34432 1 29 33 GLN . 34432 1 30 34 PHE . 34432 1 31 35 GLU . 34432 1 32 36 ARG . 34432 1 33 37 PRO . 34432 1 34 38 SER . 34432 1 35 39 GLY . 34432 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 34432 1 . LYS 2 2 34432 1 . LEU 3 3 34432 1 . PRO 4 4 34432 1 . PRO 5 5 34432 1 . GLY 6 6 34432 1 . TRP 7 7 34432 1 . GLU 8 8 34432 1 . LYS 9 9 34432 1 . ARG 10 10 34432 1 . MET 11 11 34432 1 . SER 12 12 34432 1 . ARG 13 13 34432 1 . ASN 14 14 34432 1 . SER 15 15 34432 1 . GLY 16 16 34432 1 . ARG 17 17 34432 1 . VAL 18 18 34432 1 . TYR 19 19 34432 1 . TYR 20 20 34432 1 . PHE 21 21 34432 1 . ASN 22 22 34432 1 . HIS 23 23 34432 1 . ILE 24 24 34432 1 . THR 25 25 34432 1 . ASN 26 26 34432 1 . ALA 27 27 34432 1 . SER 28 28 34432 1 . GLN 29 29 34432 1 . PHE 30 30 34432 1 . GLU 31 31 34432 1 . ARG 32 32 34432 1 . PRO 33 33 34432 1 . SER 34 34 34432 1 . GLY 35 35 34432 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 34432 _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 . . . . . . . . . . . PIN1 . 34432 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 34432 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34432 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34432 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 nM [U-100% 13C; U-100% 15N] Pin1 WW domain, 97% H2O/3% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '97% H2O/3% 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 'Pin1 WW domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.2 . . nM . . . . 34432 1 2 K2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 34432 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34432 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 34432 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 34432 _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 'ionic strength' 0.15 . M 34432 1 pH 6.0 . pH 34432 1 pressure 1 . atm 34432 1 temperature 277.15 . K 34432 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34432 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Gunter, Buchner' . . 34432 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34432 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34432 _Software.ID 2 _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' . . 34432 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34432 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34432 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _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' . . 34432 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 34432 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34432 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34432 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34432 4 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 34432 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34432 _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 Bruker 'AVANCE III' . 700 . . . 34432 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 34432 _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 '3D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34432 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 34432 _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 C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34432 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34432 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34432 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 34432 _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 '3D NOESY' . . . 34432 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 4.098 0.020 . 1 . . . . A 5 SER HA . 34432 1 2 . 1 . 1 1 1 SER CA C 13 57.441 0.400 . 1 . . . . A 5 SER CA . 34432 1 3 . 1 . 1 2 2 LYS HA H 1 4.355 0.020 . 1 . . . . A 6 LYS HA . 34432 1 4 . 1 . 1 2 2 LYS HB2 H 1 1.825 0.020 . 2 . . . . A 6 LYS HB2 . 34432 1 5 . 1 . 1 2 2 LYS HB3 H 1 1.759 0.020 . 2 . . . . A 6 LYS HB3 . 34432 1 6 . 1 . 1 2 2 LYS HG2 H 1 1.454 0.020 . 2 . . . . A 6 LYS HG2 . 34432 1 7 . 1 . 1 2 2 LYS HG3 H 1 1.454 0.020 . 2 . . . . A 6 LYS HG3 . 34432 1 8 . 1 . 1 2 2 LYS HD2 H 1 1.684 0.020 . 1 . . . . A 6 LYS HD2 . 34432 1 9 . 1 . 1 2 2 LYS HE2 H 1 2.996 0.020 . 2 . . . . A 6 LYS HE2 . 34432 1 10 . 1 . 1 2 2 LYS HE3 H 1 2.996 0.020 . 2 . . . . A 6 LYS HE3 . 34432 1 11 . 1 . 1 2 2 LYS CB C 13 33.510 0.400 . 1 . . . . A 6 LYS CB . 34432 1 12 . 1 . 1 2 2 LYS CG C 13 24.657 0.400 . 1 . . . . A 6 LYS CG . 34432 1 13 . 1 . 1 2 2 LYS CD C 13 29.416 0.400 . 1 . . . . A 6 LYS CD . 34432 1 14 . 1 . 1 2 2 LYS CE C 13 42.187 0.400 . 1 . . . . A 6 LYS CE . 34432 1 15 . 1 . 1 3 3 LEU H H 1 8.696 0.020 . 1 . . . . A 7 LEU H . 34432 1 16 . 1 . 1 3 3 LEU HA H 1 4.466 0.020 . 1 . . . . A 7 LEU HA . 34432 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.791 0.020 . 1 . . . . A 7 LEU HB2 . 34432 1 18 . 1 . 1 3 3 LEU HB3 H 1 1.386 0.020 . 1 . . . . A 7 LEU HB3 . 34432 1 19 . 1 . 1 3 3 LEU HG H 1 1.866 0.020 . 1 . . . . A 7 LEU HG . 34432 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.740 0.020 . 2 . . . . A 7 LEU HD11 . 34432 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.740 0.020 . 2 . . . . A 7 LEU HD12 . 34432 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.740 0.020 . 2 . . . . A 7 LEU HD13 . 34432 1 23 . 1 . 1 3 3 LEU HD21 H 1 1.043 0.020 . 2 . . . . A 7 LEU HD21 . 34432 1 24 . 1 . 1 3 3 LEU HD22 H 1 1.043 0.020 . 2 . . . . A 7 LEU HD22 . 34432 1 25 . 1 . 1 3 3 LEU HD23 H 1 1.043 0.020 . 2 . . . . A 7 LEU HD23 . 34432 1 26 . 1 . 1 3 3 LEU CA C 13 53.207 0.400 . 1 . . . . A 7 LEU CA . 34432 1 27 . 1 . 1 3 3 LEU CB C 13 41.996 0.400 . 1 . . . . A 7 LEU CB . 34432 1 28 . 1 . 1 3 3 LEU CG C 13 27.428 0.400 . 1 . . . . A 7 LEU CG . 34432 1 29 . 1 . 1 3 3 LEU CD1 C 13 26.598 0.400 . 2 . . . . A 7 LEU CD1 . 34432 1 30 . 1 . 1 3 3 LEU CD2 C 13 24.031 0.400 . 2 . . . . A 7 LEU CD2 . 34432 1 31 . 1 . 1 3 3 LEU N N 15 125.143 0.400 . 1 . . . . A 7 LEU N . 34432 1 32 . 1 . 1 4 4 PRO HA H 1 4.818 0.020 . 1 . . . . A 8 PRO HA . 34432 1 33 . 1 . 1 4 4 PRO HB2 H 1 1.969 0.020 . 1 . . . . A 8 PRO HB2 . 34432 1 34 . 1 . 1 4 4 PRO HB3 H 1 2.583 0.020 . 1 . . . . A 8 PRO HB3 . 34432 1 35 . 1 . 1 4 4 PRO HG2 H 1 1.744 0.020 . 1 . . . . A 8 PRO HG2 . 34432 1 36 . 1 . 1 4 4 PRO HG3 H 1 1.617 0.020 . 1 . . . . A 8 PRO HG3 . 34432 1 37 . 1 . 1 4 4 PRO HD2 H 1 2.979 0.020 . 1 . . . . A 8 PRO HD2 . 34432 1 38 . 1 . 1 4 4 PRO HD3 H 1 3.653 0.020 . 1 . . . . A 8 PRO HD3 . 34432 1 39 . 1 . 1 4 4 PRO CB C 13 29.919 0.400 . 1 . . . . A 8 PRO CB . 34432 1 40 . 1 . 1 4 4 PRO CG C 13 27.543 0.400 . 1 . . . . A 8 PRO CG . 34432 1 41 . 1 . 1 4 4 PRO CD C 13 50.542 0.400 . 1 . . . . A 8 PRO CD . 34432 1 42 . 1 . 1 5 5 PRO HA H 1 4.329 0.020 . 1 . . . . A 9 PRO HA . 34432 1 43 . 1 . 1 5 5 PRO HB2 H 1 2.324 0.020 . 2 . . . . A 9 PRO HB2 . 34432 1 44 . 1 . 1 5 5 PRO HB3 H 1 1.843 0.020 . 2 . . . . A 9 PRO HB3 . 34432 1 45 . 1 . 1 5 5 PRO HG2 H 1 2.033 0.020 . 2 . . . . A 9 PRO HG2 . 34432 1 46 . 1 . 1 5 5 PRO HG3 H 1 2.126 0.020 . 2 . . . . A 9 PRO HG3 . 34432 1 47 . 1 . 1 5 5 PRO HD2 H 1 3.613 0.020 . 1 . . . . A 9 PRO HD2 . 34432 1 48 . 1 . 1 5 5 PRO HD3 H 1 3.903 0.020 . 1 . . . . A 9 PRO HD3 . 34432 1 49 . 1 . 1 5 5 PRO CA C 13 64.420 0.400 . 1 . . . . A 9 PRO CA . 34432 1 50 . 1 . 1 5 5 PRO CB C 13 32.170 0.400 . 1 . . . . A 9 PRO CB . 34432 1 51 . 1 . 1 5 5 PRO CG C 13 27.899 0.400 . 1 . . . . A 9 PRO CG . 34432 1 52 . 1 . 1 5 5 PRO CD C 13 50.683 0.400 . 1 . . . . A 9 PRO CD . 34432 1 53 . 1 . 1 6 6 GLY H H 1 8.795 0.020 . 1 . . . . A 10 GLY H . 34432 1 54 . 1 . 1 6 6 GLY HA2 H 1 3.210 0.020 . 1 . . . . A 10 GLY HA2 . 34432 1 55 . 1 . 1 6 6 GLY HA3 H 1 4.008 0.020 . 1 . . . . A 10 GLY HA3 . 34432 1 56 . 1 . 1 6 6 GLY CA C 13 45.153 0.400 . 1 . . . . A 10 GLY CA . 34432 1 57 . 1 . 1 6 6 GLY N N 15 112.094 0.400 . 1 . . . . A 10 GLY N . 34432 1 58 . 1 . 1 7 7 TRP H H 1 7.334 0.020 . 1 . . . . A 11 TRP H . 34432 1 59 . 1 . 1 7 7 TRP HA H 1 5.176 0.020 . 1 . . . . A 11 TRP HA . 34432 1 60 . 1 . 1 7 7 TRP HB2 H 1 3.212 0.020 . 1 . . . . A 11 TRP HB2 . 34432 1 61 . 1 . 1 7 7 TRP HB3 H 1 2.922 0.020 . 1 . . . . A 11 TRP HB3 . 34432 1 62 . 1 . 1 7 7 TRP HD1 H 1 6.928 0.020 . 1 . . . . A 11 TRP HD1 . 34432 1 63 . 1 . 1 7 7 TRP HE1 H 1 10.655 0.020 . 1 . . . . A 11 TRP HE1 . 34432 1 64 . 1 . 1 7 7 TRP HE3 H 1 7.336 0.020 . 1 . . . . A 11 TRP HE3 . 34432 1 65 . 1 . 1 7 7 TRP HZ2 H 1 7.411 0.020 . 1 . . . . A 11 TRP HZ2 . 34432 1 66 . 1 . 1 7 7 TRP HZ3 H 1 6.932 0.020 . 1 . . . . A 11 TRP HZ3 . 34432 1 67 . 1 . 1 7 7 TRP HH2 H 1 6.971 0.020 . 1 . . . . A 11 TRP HH2 . 34432 1 68 . 1 . 1 7 7 TRP CA C 13 57.464 0.400 . 1 . . . . A 11 TRP CA . 34432 1 69 . 1 . 1 7 7 TRP CB C 13 32.611 0.400 . 1 . . . . A 11 TRP CB . 34432 1 70 . 1 . 1 7 7 TRP CD1 C 13 127.989 0.400 . 1 . . . . A 11 TRP CD1 . 34432 1 71 . 1 . 1 7 7 TRP CE3 C 13 120.368 0.400 . 1 . . . . A 11 TRP CE3 . 34432 1 72 . 1 . 1 7 7 TRP CZ2 C 13 115.036 0.400 . 1 . . . . A 11 TRP CZ2 . 34432 1 73 . 1 . 1 7 7 TRP CZ3 C 13 123.048 0.400 . 1 . . . . A 11 TRP CZ3 . 34432 1 74 . 1 . 1 7 7 TRP CH2 C 13 125.402 0.400 . 1 . . . . A 11 TRP CH2 . 34432 1 75 . 1 . 1 7 7 TRP N N 15 117.765 0.400 . 1 . . . . A 11 TRP N . 34432 1 76 . 1 . 1 7 7 TRP NE1 N 15 130.091 0.400 . 1 . . . . A 11 TRP NE1 . 34432 1 77 . 1 . 1 8 8 GLU H H 1 9.731 0.020 . 1 . . . . A 12 GLU H . 34432 1 78 . 1 . 1 8 8 GLU HA H 1 4.813 0.020 . 1 . . . . A 12 GLU HA . 34432 1 79 . 1 . 1 8 8 GLU HB2 H 1 2.205 0.020 . 2 . . . . A 12 GLU HB2 . 34432 1 80 . 1 . 1 8 8 GLU HB3 H 1 2.205 0.020 . 2 . . . . A 12 GLU HB3 . 34432 1 81 . 1 . 1 8 8 GLU HG2 H 1 2.510 0.020 . 1 . . . . A 12 GLU HG2 . 34432 1 82 . 1 . 1 8 8 GLU HG3 H 1 2.314 0.020 . 1 . . . . A 12 GLU HG3 . 34432 1 83 . 1 . 1 8 8 GLU CA C 13 54.803 0.400 . 1 . . . . A 12 GLU CA . 34432 1 84 . 1 . 1 8 8 GLU CB C 13 34.609 0.400 . 1 . . . . A 12 GLU CB . 34432 1 85 . 1 . 1 8 8 GLU CG C 13 36.499 0.400 . 1 . . . . A 12 GLU CG . 34432 1 86 . 1 . 1 8 8 GLU N N 15 121.053 0.400 . 1 . . . . A 12 GLU N . 34432 1 87 . 1 . 1 9 9 LYS H H 1 9.023 0.020 . 1 . . . . A 13 LYS H . 34432 1 88 . 1 . 1 9 9 LYS HA H 1 4.316 0.020 . 1 . . . . A 13 LYS HA . 34432 1 89 . 1 . 1 9 9 LYS HB2 H 1 1.619 0.020 . 1 . . . . A 13 LYS HB2 . 34432 1 90 . 1 . 1 9 9 LYS HB3 H 1 1.771 0.020 . 1 . . . . A 13 LYS HB3 . 34432 1 91 . 1 . 1 9 9 LYS HG2 H 1 1.039 0.020 . 2 . . . . A 13 LYS HG2 . 34432 1 92 . 1 . 1 9 9 LYS HG3 H 1 0.967 0.020 . 2 . . . . A 13 LYS HG3 . 34432 1 93 . 1 . 1 9 9 LYS HD2 H 1 1.657 0.020 . 2 . . . . A 13 LYS HD2 . 34432 1 94 . 1 . 1 9 9 LYS HD3 H 1 1.727 0.020 . 2 . . . . A 13 LYS HD3 . 34432 1 95 . 1 . 1 9 9 LYS HE2 H 1 2.908 0.020 . 2 . . . . A 13 LYS HE2 . 34432 1 96 . 1 . 1 9 9 LYS HE3 H 1 2.908 0.020 . 2 . . . . A 13 LYS HE3 . 34432 1 97 . 1 . 1 9 9 LYS CA C 13 56.424 0.400 . 1 . . . . A 13 LYS CA . 34432 1 98 . 1 . 1 9 9 LYS CB C 13 33.954 0.400 . 1 . . . . A 13 LYS CB . 34432 1 99 . 1 . 1 9 9 LYS CG C 13 25.198 0.400 . 1 . . . . A 13 LYS CG . 34432 1 100 . 1 . 1 9 9 LYS CD C 13 29.988 0.400 . 1 . . . . A 13 LYS CD . 34432 1 101 . 1 . 1 9 9 LYS CE C 13 42.106 0.400 . 1 . . . . A 13 LYS CE . 34432 1 102 . 1 . 1 9 9 LYS N N 15 126.271 0.400 . 1 . . . . A 13 LYS N . 34432 1 103 . 1 . 1 10 10 ARG H H 1 8.937 0.020 . 1 . . . . A 14 ARG H . 34432 1 104 . 1 . 1 10 10 ARG HA H 1 4.431 0.020 . 1 . . . . A 14 ARG HA . 34432 1 105 . 1 . 1 10 10 ARG HB2 H 1 0.084 0.020 . 1 . . . . A 14 ARG HB2 . 34432 1 106 . 1 . 1 10 10 ARG HB3 H 1 1.307 0.020 . 1 . . . . A 14 ARG HB3 . 34432 1 107 . 1 . 1 10 10 ARG HG2 H 1 1.370 0.020 . 1 . . . . A 14 ARG HG2 . 34432 1 108 . 1 . 1 10 10 ARG HG3 H 1 1.216 0.020 . 1 . . . . A 14 ARG HG3 . 34432 1 109 . 1 . 1 10 10 ARG HD2 H 1 2.885 0.020 . 2 . . . . A 14 ARG HD2 . 34432 1 110 . 1 . 1 10 10 ARG HD3 H 1 2.620 0.020 . 2 . . . . A 14 ARG HD3 . 34432 1 111 . 1 . 1 10 10 ARG HE H 1 6.972 0.020 . 1 . . . . A 14 ARG HE . 34432 1 112 . 1 . 1 10 10 ARG CA C 13 54.684 0.400 . 1 . . . . A 14 ARG CA . 34432 1 113 . 1 . 1 10 10 ARG CB C 13 34.791 0.400 . 1 . . . . A 14 ARG CB . 34432 1 114 . 1 . 1 10 10 ARG CG C 13 28.074 0.400 . 1 . . . . A 14 ARG CG . 34432 1 115 . 1 . 1 10 10 ARG CD C 13 43.808 0.400 . 1 . . . . A 14 ARG CD . 34432 1 116 . 1 . 1 10 10 ARG N N 15 128.367 0.400 . 1 . . . . A 14 ARG N . 34432 1 117 . 1 . 1 11 11 MET H H 1 8.228 0.020 . 1 . . . . A 15 MET H . 34432 1 118 . 1 . 1 11 11 MET HA H 1 4.960 0.020 . 1 . . . . A 15 MET HA . 34432 1 119 . 1 . 1 11 11 MET HB2 H 1 1.821 0.020 . 2 . . . . A 15 MET HB2 . 34432 1 120 . 1 . 1 11 11 MET HB3 H 1 1.821 0.020 . 2 . . . . A 15 MET HB3 . 34432 1 121 . 1 . 1 11 11 MET HG2 H 1 2.379 0.020 . 2 . . . . A 15 MET HG2 . 34432 1 122 . 1 . 1 11 11 MET HG3 H 1 2.278 0.020 . 2 . . . . A 15 MET HG3 . 34432 1 123 . 1 . 1 11 11 MET CB C 13 34.645 0.400 . 1 . . . . A 15 MET CB . 34432 1 124 . 1 . 1 11 11 MET CG C 13 31.838 0.400 . 1 . . . . A 15 MET CG . 34432 1 125 . 1 . 1 11 11 MET N N 15 117.847 0.400 . 1 . . . . A 15 MET N . 34432 1 126 . 1 . 1 12 12 SER H H 1 8.982 0.020 . 1 . . . . A 16 SER H . 34432 1 127 . 1 . 1 12 12 SER HA H 1 4.647 0.020 . 1 . . . . A 16 SER HA . 34432 1 128 . 1 . 1 12 12 SER HB2 H 1 4.050 0.020 . 1 . . . . A 16 SER HB2 . 34432 1 129 . 1 . 1 12 12 SER HB3 H 1 4.113 0.020 . 1 . . . . A 16 SER HB3 . 34432 1 130 . 1 . 1 12 12 SER CA C 13 58.442 0.400 . 1 . . . . A 16 SER CA . 34432 1 131 . 1 . 1 12 12 SER CB C 13 63.671 0.400 . 1 . . . . A 16 SER CB . 34432 1 132 . 1 . 1 12 12 SER N N 15 121.904 0.400 . 1 . . . . A 16 SER N . 34432 1 133 . 1 . 1 13 13 ARG H H 1 9.276 0.020 . 1 . . . . A 17 ARG H . 34432 1 134 . 1 . 1 13 13 ARG HA H 1 4.080 0.020 . 1 . . . . A 17 ARG HA . 34432 1 135 . 1 . 1 13 13 ARG HB2 H 1 1.847 0.020 . 2 . . . . A 17 ARG HB2 . 34432 1 136 . 1 . 1 13 13 ARG HB3 H 1 1.847 0.020 . 2 . . . . A 17 ARG HB3 . 34432 1 137 . 1 . 1 13 13 ARG HG2 H 1 1.665 0.020 . 2 . . . . A 17 ARG HG2 . 34432 1 138 . 1 . 1 13 13 ARG HG3 H 1 1.710 0.020 . 2 . . . . A 17 ARG HG3 . 34432 1 139 . 1 . 1 13 13 ARG HD2 H 1 3.195 0.020 . 2 . . . . A 17 ARG HD2 . 34432 1 140 . 1 . 1 13 13 ARG HD3 H 1 3.195 0.020 . 2 . . . . A 17 ARG HD3 . 34432 1 141 . 1 . 1 13 13 ARG CA C 13 58.468 0.400 . 1 . . . . A 17 ARG CA . 34432 1 142 . 1 . 1 13 13 ARG CB C 13 30.193 0.400 . 1 . . . . A 17 ARG CB . 34432 1 143 . 1 . 1 13 13 ARG CG C 13 27.350 0.400 . 1 . . . . A 17 ARG CG . 34432 1 144 . 1 . 1 13 13 ARG CD C 13 43.271 0.400 . 1 . . . . A 17 ARG CD . 34432 1 145 . 1 . 1 13 13 ARG N N 15 128.523 0.400 . 1 . . . . A 17 ARG N . 34432 1 146 . 1 . 1 14 14 ASN H H 1 8.606 0.020 . 1 . . . . A 18 ASN H . 34432 1 147 . 1 . 1 14 14 ASN HA H 1 4.583 0.020 . 1 . . . . A 18 ASN HA . 34432 1 148 . 1 . 1 14 14 ASN HB2 H 1 2.814 0.020 . 2 . . . . A 18 ASN HB2 . 34432 1 149 . 1 . 1 14 14 ASN HB3 H 1 2.814 0.020 . 2 . . . . A 18 ASN HB3 . 34432 1 150 . 1 . 1 14 14 ASN HD21 H 1 7.825 0.020 . 1 . . . . A 18 ASN HD21 . 34432 1 151 . 1 . 1 14 14 ASN HD22 H 1 7.026 0.020 . 1 . . . . A 18 ASN HD22 . 34432 1 152 . 1 . 1 14 14 ASN CA C 13 55.303 0.400 . 1 . . . . A 18 ASN CA . 34432 1 153 . 1 . 1 14 14 ASN CB C 13 38.697 0.400 . 1 . . . . A 18 ASN CB . 34432 1 154 . 1 . 1 14 14 ASN N N 15 116.322 0.400 . 1 . . . . A 18 ASN N . 34432 1 155 . 1 . 1 14 14 ASN ND2 N 15 114.156 0.400 . 1 . . . . A 18 ASN ND2 . 34432 1 156 . 1 . 1 15 15 SER HA H 1 4.509 0.020 . 1 . . . . A 19 SER HA . 34432 1 157 . 1 . 1 15 15 SER HB2 H 1 3.829 0.020 . 2 . . . . A 19 SER HB2 . 34432 1 158 . 1 . 1 15 15 SER HB3 H 1 3.966 0.020 . 2 . . . . A 19 SER HB3 . 34432 1 159 . 1 . 1 15 15 SER CA C 13 58.357 0.400 . 1 . . . . A 19 SER CA . 34432 1 160 . 1 . 1 15 15 SER CB C 13 65.094 0.400 . 1 . . . . A 19 SER CB . 34432 1 161 . 1 . 1 16 16 GLY H H 1 8.019 0.020 . 1 . . . . A 20 GLY H . 34432 1 162 . 1 . 1 16 16 GLY HA2 H 1 4.029 0.020 . 2 . . . . A 20 GLY HA2 . 34432 1 163 . 1 . 1 16 16 GLY HA3 H 1 3.930 0.020 . 2 . . . . A 20 GLY HA3 . 34432 1 164 . 1 . 1 16 16 GLY CA C 13 46.198 0.400 . 1 . . . . A 20 GLY CA . 34432 1 165 . 1 . 1 16 16 GLY N N 15 111.905 0.400 . 1 . . . . A 20 GLY N . 34432 1 166 . 1 . 1 17 17 ARG H H 1 7.820 0.020 . 1 . . . . A 21 ARG H . 34432 1 167 . 1 . 1 17 17 ARG HA H 1 4.358 0.020 . 1 . . . . A 21 ARG HA . 34432 1 168 . 1 . 1 17 17 ARG HB2 H 1 1.723 0.020 . 1 . . . . A 21 ARG HB2 . 34432 1 169 . 1 . 1 17 17 ARG HB3 H 1 1.920 0.020 . 1 . . . . A 21 ARG HB3 . 34432 1 170 . 1 . 1 17 17 ARG HD2 H 1 2.982 0.020 . 1 . . . . A 21 ARG HD2 . 34432 1 171 . 1 . 1 17 17 ARG HD3 H 1 2.827 0.020 . 1 . . . . A 21 ARG HD3 . 34432 1 172 . 1 . 1 17 17 ARG HE H 1 6.946 0.020 . 1 . . . . A 21 ARG HE . 34432 1 173 . 1 . 1 17 17 ARG HH21 H 1 6.357 0.020 . 2 . . . . A 21 ARG HH21 . 34432 1 174 . 1 . 1 17 17 ARG HH22 H 1 6.133 0.020 . 2 . . . . A 21 ARG HH22 . 34432 1 175 . 1 . 1 17 17 ARG CA C 13 56.555 0.400 . 1 . . . . A 21 ARG CA . 34432 1 176 . 1 . 1 17 17 ARG CB C 13 31.960 0.400 . 1 . . . . A 21 ARG CB . 34432 1 177 . 1 . 1 17 17 ARG CD C 13 43.700 0.400 . 1 . . . . A 21 ARG CD . 34432 1 178 . 1 . 1 17 17 ARG N N 15 119.770 0.400 . 1 . . . . A 21 ARG N . 34432 1 179 . 1 . 1 17 17 ARG NH2 N 15 69.934 0.400 . 1 . . . . A 21 ARG NH2 . 34432 1 180 . 1 . 1 18 18 VAL H H 1 8.652 0.020 . 1 . . . . A 22 VAL H . 34432 1 181 . 1 . 1 18 18 VAL HA H 1 4.557 0.020 . 1 . . . . A 22 VAL HA . 34432 1 182 . 1 . 1 18 18 VAL HB H 1 1.944 0.020 . 1 . . . . A 22 VAL HB . 34432 1 183 . 1 . 1 18 18 VAL HG11 H 1 0.752 0.020 . 2 . . . . A 22 VAL HG11 . 34432 1 184 . 1 . 1 18 18 VAL HG12 H 1 0.752 0.020 . 2 . . . . A 22 VAL HG12 . 34432 1 185 . 1 . 1 18 18 VAL HG13 H 1 0.752 0.020 . 2 . . . . A 22 VAL HG13 . 34432 1 186 . 1 . 1 18 18 VAL HG21 H 1 1.030 0.020 . 2 . . . . A 22 VAL HG21 . 34432 1 187 . 1 . 1 18 18 VAL HG22 H 1 1.030 0.020 . 2 . . . . A 22 VAL HG22 . 34432 1 188 . 1 . 1 18 18 VAL HG23 H 1 1.030 0.020 . 2 . . . . A 22 VAL HG23 . 34432 1 189 . 1 . 1 18 18 VAL CA C 13 62.703 0.400 . 1 . . . . A 22 VAL CA . 34432 1 190 . 1 . 1 18 18 VAL CB C 13 32.954 0.400 . 1 . . . . A 22 VAL CB . 34432 1 191 . 1 . 1 18 18 VAL CG1 C 13 21.687 0.400 . 2 . . . . A 22 VAL CG1 . 34432 1 192 . 1 . 1 18 18 VAL CG2 C 13 22.494 0.400 . 2 . . . . A 22 VAL CG2 . 34432 1 193 . 1 . 1 18 18 VAL N N 15 126.887 0.400 . 1 . . . . A 22 VAL N . 34432 1 194 . 1 . 1 19 19 TYR H H 1 8.715 0.020 . 1 . . . . A 23 TYR H . 34432 1 195 . 1 . 1 19 19 TYR HA H 1 4.797 0.020 . 1 . . . . A 23 TYR HA . 34432 1 196 . 1 . 1 19 19 TYR HB2 H 1 2.558 0.020 . 1 . . . . A 23 TYR HB2 . 34432 1 197 . 1 . 1 19 19 TYR HB3 H 1 2.872 0.020 . 1 . . . . A 23 TYR HB3 . 34432 1 198 . 1 . 1 19 19 TYR HD1 H 1 6.929 0.020 . 1 . . . . A 23 TYR HD1 . 34432 1 199 . 1 . 1 19 19 TYR HD2 H 1 6.929 0.020 . 1 . . . . A 23 TYR HD2 . 34432 1 200 . 1 . 1 19 19 TYR HE1 H 1 6.438 0.020 . 1 . . . . A 23 TYR HE1 . 34432 1 201 . 1 . 1 19 19 TYR HE2 H 1 6.438 0.020 . 1 . . . . A 23 TYR HE2 . 34432 1 202 . 1 . 1 19 19 TYR CA C 13 55.873 0.400 . 1 . . . . A 23 TYR CA . 34432 1 203 . 1 . 1 19 19 TYR CB C 13 40.221 0.400 . 1 . . . . A 23 TYR CB . 34432 1 204 . 1 . 1 19 19 TYR CD1 C 13 134.204 0.400 . 3 . . . . A 23 TYR CD1 . 34432 1 205 . 1 . 1 19 19 TYR CE1 C 13 117.581 0.400 . 3 . . . . A 23 TYR CE1 . 34432 1 206 . 1 . 1 19 19 TYR N N 15 123.244 0.400 . 1 . . . . A 23 TYR N . 34432 1 207 . 1 . 1 20 20 TYR H H 1 9.158 0.020 . 1 . . . . A 24 TYR H . 34432 1 208 . 1 . 1 20 20 TYR HA H 1 5.283 0.020 . 1 . . . . A 24 TYR HA . 34432 1 209 . 1 . 1 20 20 TYR HB2 H 1 2.624 0.020 . 1 . . . . A 24 TYR HB2 . 34432 1 210 . 1 . 1 20 20 TYR HB3 H 1 2.882 0.020 . 1 . . . . A 24 TYR HB3 . 34432 1 211 . 1 . 1 20 20 TYR HD1 H 1 6.790 0.020 . 1 . . . . A 24 TYR HD1 . 34432 1 212 . 1 . 1 20 20 TYR HD2 H 1 6.790 0.020 . 1 . . . . A 24 TYR HD2 . 34432 1 213 . 1 . 1 20 20 TYR HE1 H 1 6.703 0.020 . 1 . . . . A 24 TYR HE1 . 34432 1 214 . 1 . 1 20 20 TYR HE2 H 1 6.703 0.020 . 1 . . . . A 24 TYR HE2 . 34432 1 215 . 1 . 1 20 20 TYR CA C 13 57.113 0.400 . 1 . . . . A 24 TYR CA . 34432 1 216 . 1 . 1 20 20 TYR CB C 13 41.444 0.400 . 1 . . . . A 24 TYR CB . 34432 1 217 . 1 . 1 20 20 TYR CD1 C 13 133.760 0.400 . 3 . . . . A 24 TYR CD1 . 34432 1 218 . 1 . 1 20 20 TYR CE1 C 13 117.149 0.400 . 3 . . . . A 24 TYR CE1 . 34432 1 219 . 1 . 1 20 20 TYR N N 15 117.336 0.400 . 1 . . . . A 24 TYR N . 34432 1 220 . 1 . 1 21 21 PHE H H 1 9.357 0.020 . 1 . . . . A 25 PHE H . 34432 1 221 . 1 . 1 21 21 PHE HA H 1 5.648 0.020 . 1 . . . . A 25 PHE HA . 34432 1 222 . 1 . 1 21 21 PHE HB2 H 1 2.918 0.020 . 1 . . . . A 25 PHE HB2 . 34432 1 223 . 1 . 1 21 21 PHE HB3 H 1 2.531 0.020 . 1 . . . . A 25 PHE HB3 . 34432 1 224 . 1 . 1 21 21 PHE HD1 H 1 6.918 0.020 . 1 . . . . A 25 PHE HD1 . 34432 1 225 . 1 . 1 21 21 PHE HD2 H 1 6.918 0.020 . 1 . . . . A 25 PHE HD2 . 34432 1 226 . 1 . 1 21 21 PHE HE1 H 1 6.997 0.020 . 1 . . . . A 25 PHE HE1 . 34432 1 227 . 1 . 1 21 21 PHE HE2 H 1 6.997 0.020 . 1 . . . . A 25 PHE HE2 . 34432 1 228 . 1 . 1 21 21 PHE HZ H 1 7.292 0.020 . 1 . . . . A 25 PHE HZ . 34432 1 229 . 1 . 1 21 21 PHE CA C 13 55.947 0.400 . 1 . . . . A 25 PHE CA . 34432 1 230 . 1 . 1 21 21 PHE CB C 13 44.597 0.400 . 1 . . . . A 25 PHE CB . 34432 1 231 . 1 . 1 21 21 PHE CD1 C 13 131.648 0.400 . 3 . . . . A 25 PHE CD1 . 34432 1 232 . 1 . 1 21 21 PHE CE1 C 13 130.824 0.400 . 3 . . . . A 25 PHE CE1 . 34432 1 233 . 1 . 1 21 21 PHE CZ C 13 130.560 0.400 . 1 . . . . A 25 PHE CZ . 34432 1 234 . 1 . 1 21 21 PHE N N 15 124.521 0.400 . 1 . . . . A 25 PHE N . 34432 1 235 . 1 . 1 22 22 ASN H H 1 8.229 0.020 . 1 . . . . A 26 ASN H . 34432 1 236 . 1 . 1 22 22 ASN HA H 1 4.349 0.020 . 1 . . . . A 26 ASN HA . 34432 1 237 . 1 . 1 22 22 ASN HB2 H 1 -0.763 0.020 . 1 . . . . A 26 ASN HB2 . 34432 1 238 . 1 . 1 22 22 ASN HB3 H 1 1.953 0.020 . 1 . . . . A 26 ASN HB3 . 34432 1 239 . 1 . 1 22 22 ASN HD21 H 1 4.123 0.020 . 1 . . . . A 26 ASN HD21 . 34432 1 240 . 1 . 1 22 22 ASN HD22 H 1 6.600 0.020 . 1 . . . . A 26 ASN HD22 . 34432 1 241 . 1 . 1 22 22 ASN CA C 13 50.690 0.400 . 1 . . . . A 26 ASN CA . 34432 1 242 . 1 . 1 22 22 ASN CB C 13 38.016 0.400 . 1 . . . . A 26 ASN CB . 34432 1 243 . 1 . 1 22 22 ASN N N 15 129.608 0.400 . 1 . . . . A 26 ASN N . 34432 1 244 . 1 . 1 22 22 ASN ND2 N 15 110.126 0.400 . 1 . . . . A 26 ASN ND2 . 34432 1 245 . 1 . 1 23 23 HIS H H 1 8.156 0.020 . 1 . . . . A 27 HIS H . 34432 1 246 . 1 . 1 23 23 HIS HA H 1 4.114 0.020 . 1 . . . . A 27 HIS HA . 34432 1 247 . 1 . 1 23 23 HIS HB2 H 1 3.115 0.020 . 2 . . . . A 27 HIS HB2 . 34432 1 248 . 1 . 1 23 23 HIS HB3 H 1 3.367 0.020 . 2 . . . . A 27 HIS HB3 . 34432 1 249 . 1 . 1 23 23 HIS HD2 H 1 7.130 0.020 . 1 . . . . A 27 HIS HD2 . 34432 1 250 . 1 . 1 23 23 HIS CA C 13 57.447 0.400 . 1 . . . . A 27 HIS CA . 34432 1 251 . 1 . 1 23 23 HIS CB C 13 29.082 0.400 . 1 . . . . A 27 HIS CB . 34432 1 252 . 1 . 1 23 23 HIS CD2 C 13 120.564 0.400 . 1 . . . . A 27 HIS CD2 . 34432 1 253 . 1 . 1 23 23 HIS N N 15 120.552 0.400 . 1 . . . . A 27 HIS N . 34432 1 254 . 1 . 1 24 24 ILE H H 1 8.368 0.020 . 1 . . . . A 28 ILE H . 34432 1 255 . 1 . 1 24 24 ILE HA H 1 3.804 0.020 . 1 . . . . A 28 ILE HA . 34432 1 256 . 1 . 1 24 24 ILE HB H 1 1.959 0.020 . 1 . . . . A 28 ILE HB . 34432 1 257 . 1 . 1 24 24 ILE HG12 H 1 0.912 0.020 . 1 . . . . A 28 ILE HG12 . 34432 1 258 . 1 . 1 24 24 ILE HG13 H 1 1.208 0.020 . 1 . . . . A 28 ILE HG13 . 34432 1 259 . 1 . 1 24 24 ILE HG21 H 1 0.734 0.020 . 1 . . . . A 28 ILE HG21 . 34432 1 260 . 1 . 1 24 24 ILE HG22 H 1 0.734 0.020 . 1 . . . . A 28 ILE HG22 . 34432 1 261 . 1 . 1 24 24 ILE HG23 H 1 0.734 0.020 . 1 . . . . A 28 ILE HG23 . 34432 1 262 . 1 . 1 24 24 ILE HD11 H 1 0.692 0.020 . 1 . . . . A 28 ILE HD11 . 34432 1 263 . 1 . 1 24 24 ILE HD12 H 1 0.692 0.020 . 1 . . . . A 28 ILE HD12 . 34432 1 264 . 1 . 1 24 24 ILE HD13 H 1 0.692 0.020 . 1 . . . . A 28 ILE HD13 . 34432 1 265 . 1 . 1 24 24 ILE CA C 13 63.543 0.400 . 1 . . . . A 28 ILE CA . 34432 1 266 . 1 . 1 24 24 ILE CB C 13 37.323 0.400 . 1 . . . . A 28 ILE CB . 34432 1 267 . 1 . 1 24 24 ILE CG1 C 13 28.031 0.400 . 1 . . . . A 28 ILE CG1 . 34432 1 268 . 1 . 1 24 24 ILE CG2 C 13 17.111 0.400 . 1 . . . . A 28 ILE CG2 . 34432 1 269 . 1 . 1 24 24 ILE CD1 C 13 12.280 0.400 . 1 . . . . A 28 ILE CD1 . 34432 1 270 . 1 . 1 24 24 ILE N N 15 122.265 0.400 . 1 . . . . A 28 ILE N . 34432 1 271 . 1 . 1 25 25 THR H H 1 7.304 0.020 . 1 . . . . A 29 THR H . 34432 1 272 . 1 . 1 25 25 THR HA H 1 4.058 0.020 . 1 . . . . A 29 THR HA . 34432 1 273 . 1 . 1 25 25 THR HB H 1 4.201 0.020 . 1 . . . . A 29 THR HB . 34432 1 274 . 1 . 1 25 25 THR HG1 H 1 5.104 0.020 . 1 . . . . A 29 THR HG1 . 34432 1 275 . 1 . 1 25 25 THR HG21 H 1 0.899 0.020 . 1 . . . . A 29 THR HG21 . 34432 1 276 . 1 . 1 25 25 THR HG22 H 1 0.899 0.020 . 1 . . . . A 29 THR HG22 . 34432 1 277 . 1 . 1 25 25 THR HG23 H 1 0.899 0.020 . 1 . . . . A 29 THR HG23 . 34432 1 278 . 1 . 1 25 25 THR CA C 13 61.386 0.400 . 1 . . . . A 29 THR CA . 34432 1 279 . 1 . 1 25 25 THR CB C 13 70.234 0.400 . 1 . . . . A 29 THR CB . 34432 1 280 . 1 . 1 25 25 THR CG2 C 13 21.240 0.400 . 1 . . . . A 29 THR CG2 . 34432 1 281 . 1 . 1 25 25 THR N N 15 108.150 0.400 . 1 . . . . A 29 THR N . 34432 1 282 . 1 . 1 26 26 ASN H H 1 8.043 0.020 . 1 . . . . A 30 ASN H . 34432 1 283 . 1 . 1 26 26 ASN HA H 1 4.102 0.020 . 1 . . . . A 30 ASN HA . 34432 1 284 . 1 . 1 26 26 ASN HB2 H 1 3.097 0.020 . 1 . . . . A 30 ASN HB2 . 34432 1 285 . 1 . 1 26 26 ASN HB3 H 1 2.897 0.020 . 1 . . . . A 30 ASN HB3 . 34432 1 286 . 1 . 1 26 26 ASN HD21 H 1 7.503 0.020 . 2 . . . . A 30 ASN HD21 . 34432 1 287 . 1 . 1 26 26 ASN HD22 H 1 6.885 0.020 . 2 . . . . A 30 ASN HD22 . 34432 1 288 . 1 . 1 26 26 ASN CA C 13 55.256 0.400 . 1 . . . . A 30 ASN CA . 34432 1 289 . 1 . 1 26 26 ASN CB C 13 37.640 0.400 . 1 . . . . A 30 ASN CB . 34432 1 290 . 1 . 1 26 26 ASN N N 15 118.273 0.400 . 1 . . . . A 30 ASN N . 34432 1 291 . 1 . 1 26 26 ASN ND2 N 15 113.682 0.400 . 1 . . . . A 30 ASN ND2 . 34432 1 292 . 1 . 1 27 27 ALA H H 1 7.120 0.020 . 1 . . . . A 31 ALA H . 34432 1 293 . 1 . 1 27 27 ALA HA H 1 4.392 0.020 . 1 . . . . A 31 ALA HA . 34432 1 294 . 1 . 1 27 27 ALA HB1 H 1 1.221 0.020 . 1 . . . . A 31 ALA HB1 . 34432 1 295 . 1 . 1 27 27 ALA HB2 H 1 1.221 0.020 . 1 . . . . A 31 ALA HB2 . 34432 1 296 . 1 . 1 27 27 ALA HB3 H 1 1.221 0.020 . 1 . . . . A 31 ALA HB3 . 34432 1 297 . 1 . 1 27 27 ALA CA C 13 52.342 0.400 . 1 . . . . A 31 ALA CA . 34432 1 298 . 1 . 1 27 27 ALA CB C 13 20.990 0.400 . 1 . . . . A 31 ALA CB . 34432 1 299 . 1 . 1 27 27 ALA N N 15 122.285 0.400 . 1 . . . . A 31 ALA N . 34432 1 300 . 1 . 1 28 28 SER H H 1 8.395 0.020 . 1 . . . . A 32 SER H . 34432 1 301 . 1 . 1 28 28 SER HA H 1 6.063 0.020 . 1 . . . . A 32 SER HA . 34432 1 302 . 1 . 1 28 28 SER HB2 H 1 3.870 0.020 . 2 . . . . A 32 SER HB2 . 34432 1 303 . 1 . 1 28 28 SER HB3 H 1 3.777 0.020 . 2 . . . . A 32 SER HB3 . 34432 1 304 . 1 . 1 28 28 SER CA C 13 57.193 0.400 . 1 . . . . A 32 SER CA . 34432 1 305 . 1 . 1 28 28 SER CB C 13 66.775 0.400 . 1 . . . . A 32 SER CB . 34432 1 306 . 1 . 1 28 28 SER N N 15 112.605 0.400 . 1 . . . . A 32 SER N . 34432 1 307 . 1 . 1 29 29 GLN H H 1 9.381 0.020 . 1 . . . . A 33 GLN H . 34432 1 308 . 1 . 1 29 29 GLN HA H 1 4.849 0.020 . 1 . . . . A 33 GLN HA . 34432 1 309 . 1 . 1 29 29 GLN HB2 H 1 2.527 0.020 . 2 . . . . A 33 GLN HB2 . 34432 1 310 . 1 . 1 29 29 GLN HB3 H 1 2.173 0.020 . 2 . . . . A 33 GLN HB3 . 34432 1 311 . 1 . 1 29 29 GLN HE21 H 1 7.427 0.020 . 2 . . . . A 33 GLN HE21 . 34432 1 312 . 1 . 1 29 29 GLN HE22 H 1 6.754 0.020 . 2 . . . . A 33 GLN HE22 . 34432 1 313 . 1 . 1 29 29 GLN CA C 13 54.987 0.400 . 1 . . . . A 33 GLN CA . 34432 1 314 . 1 . 1 29 29 GLN CB C 13 31.949 0.400 . 1 . . . . A 33 GLN CB . 34432 1 315 . 1 . 1 29 29 GLN N N 15 117.286 0.400 . 1 . . . . A 33 GLN N . 34432 1 316 . 1 . 1 29 29 GLN NE2 N 15 113.492 0.400 . 1 . . . . A 33 GLN NE2 . 34432 1 317 . 1 . 1 30 30 PHE H H 1 8.993 0.020 . 1 . . . . A 34 PHE H . 34432 1 318 . 1 . 1 30 30 PHE HA H 1 4.787 0.020 . 1 . . . . A 34 PHE HA . 34432 1 319 . 1 . 1 30 30 PHE HB2 H 1 2.928 0.020 . 1 . . . . A 34 PHE HB2 . 34432 1 320 . 1 . 1 30 30 PHE HB3 H 1 3.399 0.020 . 1 . . . . A 34 PHE HB3 . 34432 1 321 . 1 . 1 30 30 PHE HD1 H 1 7.612 0.020 . 1 . . . . A 34 PHE HD1 . 34432 1 322 . 1 . 1 30 30 PHE HD2 H 1 7.612 0.020 . 1 . . . . A 34 PHE HD2 . 34432 1 323 . 1 . 1 30 30 PHE HE1 H 1 7.232 0.020 . 1 . . . . A 34 PHE HE1 . 34432 1 324 . 1 . 1 30 30 PHE HE2 H 1 7.232 0.020 . 1 . . . . A 34 PHE HE2 . 34432 1 325 . 1 . 1 30 30 PHE HZ H 1 7.171 0.020 . 1 . . . . A 34 PHE HZ . 34432 1 326 . 1 . 1 30 30 PHE CA C 13 61.178 0.400 . 1 . . . . A 34 PHE CA . 34432 1 327 . 1 . 1 30 30 PHE CB C 13 39.879 0.400 . 1 . . . . A 34 PHE CB . 34432 1 328 . 1 . 1 30 30 PHE CD1 C 13 131.952 0.400 . 3 . . . . A 34 PHE CD1 . 34432 1 329 . 1 . 1 30 30 PHE CE1 C 13 131.607 0.400 . 3 . . . . A 34 PHE CE1 . 34432 1 330 . 1 . 1 30 30 PHE CZ C 13 130.138 0.400 . 1 . . . . A 34 PHE CZ . 34432 1 331 . 1 . 1 30 30 PHE N N 15 119.431 0.400 . 1 . . . . A 34 PHE N . 34432 1 332 . 1 . 1 31 31 GLU H H 1 8.106 0.020 . 1 . . . . A 35 GLU H . 34432 1 333 . 1 . 1 31 31 GLU HA H 1 4.284 0.020 . 1 . . . . A 35 GLU HA . 34432 1 334 . 1 . 1 31 31 GLU HB2 H 1 1.863 0.020 . 1 . . . . A 35 GLU HB2 . 34432 1 335 . 1 . 1 31 31 GLU HB3 H 1 1.788 0.020 . 1 . . . . A 35 GLU HB3 . 34432 1 336 . 1 . 1 31 31 GLU HG2 H 1 2.291 0.020 . 1 . . . . A 35 GLU HG2 . 34432 1 337 . 1 . 1 31 31 GLU HG3 H 1 2.209 0.020 . 1 . . . . A 35 GLU HG3 . 34432 1 338 . 1 . 1 31 31 GLU CA C 13 56.293 0.400 . 1 . . . . A 35 GLU CA . 34432 1 339 . 1 . 1 31 31 GLU CB C 13 29.898 0.400 . 1 . . . . A 35 GLU CB . 34432 1 340 . 1 . 1 31 31 GLU CG C 13 36.508 0.400 . 1 . . . . A 35 GLU CG . 34432 1 341 . 1 . 1 31 31 GLU N N 15 119.112 0.400 . 1 . . . . A 35 GLU N . 34432 1 342 . 1 . 1 32 32 ARG H H 1 8.631 0.020 . 1 . . . . A 36 ARG H . 34432 1 343 . 1 . 1 32 32 ARG HA H 1 2.707 0.020 . 1 . . . . A 36 ARG HA . 34432 1 344 . 1 . 1 32 32 ARG HB2 H 1 1.346 0.020 . 2 . . . . A 36 ARG HB2 . 34432 1 345 . 1 . 1 32 32 ARG HB3 H 1 1.346 0.020 . 2 . . . . A 36 ARG HB3 . 34432 1 346 . 1 . 1 32 32 ARG HG2 H 1 1.140 0.020 . 2 . . . . A 36 ARG HG2 . 34432 1 347 . 1 . 1 32 32 ARG HG3 H 1 0.845 0.020 . 2 . . . . A 36 ARG HG3 . 34432 1 348 . 1 . 1 32 32 ARG CA C 13 54.393 0.400 . 1 . . . . A 36 ARG CA . 34432 1 349 . 1 . 1 32 32 ARG CB C 13 30.048 0.400 . 1 . . . . A 36 ARG CB . 34432 1 350 . 1 . 1 32 32 ARG CG C 13 27.235 0.400 . 1 . . . . A 36 ARG CG . 34432 1 351 . 1 . 1 32 32 ARG N N 15 126.536 0.400 . 1 . . . . A 36 ARG N . 34432 1 352 . 1 . 1 33 33 PRO HA H 1 3.846 0.020 . 1 . . . . A 37 PRO HA . 34432 1 353 . 1 . 1 33 33 PRO HB2 H 1 0.778 0.020 . 1 . . . . A 37 PRO HB2 . 34432 1 354 . 1 . 1 33 33 PRO HB3 H 1 0.724 0.020 . 1 . . . . A 37 PRO HB3 . 34432 1 355 . 1 . 1 33 33 PRO HG2 H 1 0.450 0.020 . 1 . . . . A 37 PRO HG2 . 34432 1 356 . 1 . 1 33 33 PRO HG3 H 1 -0.157 0.020 . 1 . . . . A 37 PRO HG3 . 34432 1 357 . 1 . 1 33 33 PRO HD2 H 1 2.155 0.020 . 1 . . . . A 37 PRO HD2 . 34432 1 358 . 1 . 1 33 33 PRO HD3 H 1 2.453 0.020 . 1 . . . . A 37 PRO HD3 . 34432 1 359 . 1 . 1 33 33 PRO CA C 13 62.190 0.400 . 1 . . . . A 37 PRO CA . 34432 1 360 . 1 . 1 33 33 PRO CB C 13 31.457 0.400 . 1 . . . . A 37 PRO CB . 34432 1 361 . 1 . 1 33 33 PRO CG C 13 25.752 0.400 . 1 . . . . A 37 PRO CG . 34432 1 362 . 1 . 1 33 33 PRO CD C 13 50.131 0.400 . 1 . . . . A 37 PRO CD . 34432 1 363 . 1 . 1 34 34 SER H H 1 8.243 0.020 . 1 . . . . A 38 SER H . 34432 1 364 . 1 . 1 34 34 SER HA H 1 4.254 0.020 . 1 . . . . A 38 SER HA . 34432 1 365 . 1 . 1 34 34 SER HB2 H 1 3.754 0.020 . 2 . . . . A 38 SER HB2 . 34432 1 366 . 1 . 1 34 34 SER HB3 H 1 3.674 0.020 . 2 . . . . A 38 SER HB3 . 34432 1 367 . 1 . 1 34 34 SER CA C 13 57.990 0.400 . 1 . . . . A 38 SER CA . 34432 1 368 . 1 . 1 34 34 SER CB C 13 64.589 0.400 . 1 . . . . A 38 SER CB . 34432 1 369 . 1 . 1 34 34 SER N N 15 116.029 0.400 . 1 . . . . A 38 SER N . 34432 1 370 . 1 . 1 35 35 GLY H H 1 7.981 0.020 . 1 . . . . A 39 GLY H . 34432 1 371 . 1 . 1 35 35 GLY HA2 H 1 3.734 0.020 . 2 . . . . A 39 GLY HA2 . 34432 1 372 . 1 . 1 35 35 GLY HA3 H 1 3.707 0.020 . 2 . . . . A 39 GLY HA3 . 34432 1 373 . 1 . 1 35 35 GLY CA C 13 46.203 0.400 . 1 . . . . A 39 GLY CA . 34432 1 374 . 1 . 1 35 35 GLY N N 15 117.079 0.400 . 1 . . . . A 39 GLY N . 34432 1 stop_ save_