data_34434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34434 _Entry.Title ; Protein allostery of the WW domain at atomic resolution ; _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' 34434 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. . . . 34434 2 J. Orts J. . . . 34434 3 M. Friedmann M. . . . 34434 4 P. Guntert P. . . . 34434 5 B. Vogeli B. . . . 34434 6 R. Riek R. . . . 34434 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PEPTIDE BINDING PROTEIN' . 34434 'STRUCTURE FROM CYANA 3.98.12' . 34434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 107 34434 '15N chemical shifts' 37 34434 '1H chemical shifts' 234 34434 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 . 34434 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SVH . 34434 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34434 _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. . . . 34434 1 2 Julilen Orts J. . . . 34434 1 3 Harindranath Kadavath H. . . . 34434 1 4 Michael Friedmann M. . . . 34434 1 5 Dhiman Ghosh D. . . . 34434 1 6 Simon Olsson S. . . . 34434 1 7 Celestine Chi C. . . . 34434 1 8 Aditya Pokharna A. . . . 34434 1 9 Peter Guntert P. . . . 34434 1 10 Beat Vogeli B. . . . 34434 1 11 Roland Riek R. . . . 34434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34434 _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 . . . . . . 34434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34434 _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 34434 1 'Peptidyl-prolyl cis-trans isomerase Pin1' common 34434 1 'Rotamase Pin1' common 34434 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 . 34434 1 2 6 LYS . 34434 1 3 7 LEU . 34434 1 4 8 PRO . 34434 1 5 9 PRO . 34434 1 6 10 GLY . 34434 1 7 11 TRP . 34434 1 8 12 GLU . 34434 1 9 13 LYS . 34434 1 10 14 ARG . 34434 1 11 15 MET . 34434 1 12 16 SER . 34434 1 13 17 ARG . 34434 1 14 18 ASN . 34434 1 15 19 SER . 34434 1 16 20 GLY . 34434 1 17 21 ARG . 34434 1 18 22 VAL . 34434 1 19 23 TYR . 34434 1 20 24 TYR . 34434 1 21 25 PHE . 34434 1 22 26 ASN . 34434 1 23 27 HIS . 34434 1 24 28 ILE . 34434 1 25 29 THR . 34434 1 26 30 ASN . 34434 1 27 31 ALA . 34434 1 28 32 SER . 34434 1 29 33 GLN . 34434 1 30 34 PHE . 34434 1 31 35 GLU . 34434 1 32 36 ARG . 34434 1 33 37 PRO . 34434 1 34 38 SER . 34434 1 35 39 GLY . 34434 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 34434 1 . LYS 2 2 34434 1 . LEU 3 3 34434 1 . PRO 4 4 34434 1 . PRO 5 5 34434 1 . GLY 6 6 34434 1 . TRP 7 7 34434 1 . GLU 8 8 34434 1 . LYS 9 9 34434 1 . ARG 10 10 34434 1 . MET 11 11 34434 1 . SER 12 12 34434 1 . ARG 13 13 34434 1 . ASN 14 14 34434 1 . SER 15 15 34434 1 . GLY 16 16 34434 1 . ARG 17 17 34434 1 . VAL 18 18 34434 1 . TYR 19 19 34434 1 . TYR 20 20 34434 1 . PHE 21 21 34434 1 . ASN 22 22 34434 1 . HIS 23 23 34434 1 . ILE 24 24 34434 1 . THR 25 25 34434 1 . ASN 26 26 34434 1 . ALA 27 27 34434 1 . SER 28 28 34434 1 . GLN 29 29 34434 1 . PHE 30 30 34434 1 . GLU 31 31 34434 1 . ARG 32 32 34434 1 . PRO 33 33 34434 1 . SER 34 34 34434 1 . GLY 35 35 34434 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 34434 _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 . 34434 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 34434 _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 . . . . . . . . . . . . 34434 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34434 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-100% 13C; U-100% 15N] Pin1 WW domain, 12 mM FFpSPR, 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 . . mM . . . . 34434 1 2 FFpSPR 'natural abundance' . . . . . . 12 . . mM . . . . 34434 1 3 K2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 34434 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34434 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 34434 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 34434 _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 34434 1 pH 6.0 . pH 34434 1 pressure 1 . atm 34434 1 temperature 277.15 . K 34434 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34434 _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 Guntert,Buchner . . 34434 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34434 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34434 _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' . . 34434 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34434 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34434 _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' . . 34434 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 34434 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34434 _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 . . 34434 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34434 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 34434 _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 34434 _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 . . . 34434 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 34434 _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 NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34434 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 34434 _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 . . . . . 34434 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34434 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34434 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 34434 _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 NOESY . . . 34434 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 2 2 LYS H H 1 8.784 0.020 . 1 . . . . A 6 LYS H . 34434 1 2 . 1 . 1 2 2 LYS HA H 1 4.353 0.020 . 1 . . . . A 6 LYS HA . 34434 1 3 . 1 . 1 2 2 LYS HB2 H 1 1.825 0.020 . 2 . . . . A 6 LYS HB2 . 34434 1 4 . 1 . 1 2 2 LYS HB3 H 1 1.748 0.020 . 2 . . . . A 6 LYS HB3 . 34434 1 5 . 1 . 1 2 2 LYS HG2 H 1 1.458 0.020 . 2 . . . . A 6 LYS HG2 . 34434 1 6 . 1 . 1 2 2 LYS HG3 H 1 1.458 0.020 . 2 . . . . A 6 LYS HG3 . 34434 1 7 . 1 . 1 2 2 LYS HD2 H 1 1.684 0.020 . 2 . . . . A 6 LYS HD2 . 34434 1 8 . 1 . 1 2 2 LYS HE2 H 1 2.995 0.020 . 2 . . . . A 6 LYS HE2 . 34434 1 9 . 1 . 1 2 2 LYS HE3 H 1 2.995 0.020 . 2 . . . . A 6 LYS HE3 . 34434 1 10 . 1 . 1 2 2 LYS CB C 13 33.340 0.400 . 1 . . . . A 6 LYS CB . 34434 1 11 . 1 . 1 2 2 LYS CG C 13 24.500 0.400 . 1 . . . . A 6 LYS CG . 34434 1 12 . 1 . 1 2 2 LYS CD C 13 29.207 0.400 . 1 . . . . A 6 LYS CD . 34434 1 13 . 1 . 1 2 2 LYS CE C 13 42.034 0.400 . 1 . . . . A 6 LYS CE . 34434 1 14 . 1 . 1 2 2 LYS N N 15 122.735 0.400 . 1 . . . . A 6 LYS N . 34434 1 15 . 1 . 1 3 3 LEU H H 1 8.689 0.020 . 1 . . . . A 7 LEU H . 34434 1 16 . 1 . 1 3 3 LEU HA H 1 4.465 0.020 . 1 . . . . A 7 LEU HA . 34434 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.781 0.020 . 1 . . . . A 7 LEU HB2 . 34434 1 18 . 1 . 1 3 3 LEU HB3 H 1 1.387 0.020 . 1 . . . . A 7 LEU HB3 . 34434 1 19 . 1 . 1 3 3 LEU HG H 1 1.845 0.020 . 1 . . . . A 7 LEU HG . 34434 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.712 0.020 . 2 . . . . A 7 LEU HD11 . 34434 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.712 0.020 . 2 . . . . A 7 LEU HD12 . 34434 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.712 0.020 . 2 . . . . A 7 LEU HD13 . 34434 1 23 . 1 . 1 3 3 LEU HD21 H 1 1.019 0.020 . 2 . . . . A 7 LEU HD21 . 34434 1 24 . 1 . 1 3 3 LEU HD22 H 1 1.019 0.020 . 2 . . . . A 7 LEU HD22 . 34434 1 25 . 1 . 1 3 3 LEU HD23 H 1 1.019 0.020 . 2 . . . . A 7 LEU HD23 . 34434 1 26 . 1 . 1 3 3 LEU CA C 13 53.019 0.400 . 1 . . . . A 7 LEU CA . 34434 1 27 . 1 . 1 3 3 LEU CB C 13 41.914 0.400 . 1 . . . . A 7 LEU CB . 34434 1 28 . 1 . 1 3 3 LEU CG C 13 27.225 0.400 . 1 . . . . A 7 LEU CG . 34434 1 29 . 1 . 1 3 3 LEU CD1 C 13 26.301 0.400 . 2 . . . . A 7 LEU CD1 . 34434 1 30 . 1 . 1 3 3 LEU CD2 C 13 23.753 0.400 . 2 . . . . A 7 LEU CD2 . 34434 1 31 . 1 . 1 3 3 LEU N N 15 124.975 0.400 . 1 . . . . A 7 LEU N . 34434 1 32 . 1 . 1 4 4 PRO HA H 1 4.828 0.020 . 1 . . . . A 8 PRO HA . 34434 1 33 . 1 . 1 4 4 PRO HB2 H 1 1.981 0.020 . 1 . . . . A 8 PRO HB2 . 34434 1 34 . 1 . 1 4 4 PRO HB3 H 1 2.607 0.020 . 1 . . . . A 8 PRO HB3 . 34434 1 35 . 1 . 1 4 4 PRO HG2 H 1 1.767 0.020 . 1 . . . . A 8 PRO HG2 . 34434 1 36 . 1 . 1 4 4 PRO HG3 H 1 1.629 0.020 . 1 . . . . A 8 PRO HG3 . 34434 1 37 . 1 . 1 4 4 PRO HD2 H 1 2.971 0.020 . 1 . . . . A 8 PRO HD2 . 34434 1 38 . 1 . 1 4 4 PRO HD3 H 1 3.678 0.020 . 1 . . . . A 8 PRO HD3 . 34434 1 39 . 1 . 1 4 4 PRO CA C 13 61.477 0.400 . 1 . . . . A 8 PRO CA . 34434 1 40 . 1 . 1 4 4 PRO CB C 13 29.739 0.400 . 1 . . . . A 8 PRO CB . 34434 1 41 . 1 . 1 4 4 PRO CG C 13 27.369 0.400 . 1 . . . . A 8 PRO CG . 34434 1 42 . 1 . 1 4 4 PRO CD C 13 50.354 0.400 . 1 . . . . A 8 PRO CD . 34434 1 43 . 1 . 1 5 5 PRO HA H 1 4.342 0.020 . 1 . . . . A 9 PRO HA . 34434 1 44 . 1 . 1 5 5 PRO HB2 H 1 2.332 0.020 . 2 . . . . A 9 PRO HB2 . 34434 1 45 . 1 . 1 5 5 PRO HB3 H 1 1.843 0.020 . 2 . . . . A 9 PRO HB3 . 34434 1 46 . 1 . 1 5 5 PRO HG2 H 1 2.038 0.020 . 2 . . . . A 9 PRO HG2 . 34434 1 47 . 1 . 1 5 5 PRO HG3 H 1 2.129 0.020 . 2 . . . . A 9 PRO HG3 . 34434 1 48 . 1 . 1 5 5 PRO HD2 H 1 3.615 0.020 . 1 . . . . A 9 PRO HD2 . 34434 1 49 . 1 . 1 5 5 PRO HD3 H 1 3.906 0.020 . 1 . . . . A 9 PRO HD3 . 34434 1 50 . 1 . 1 5 5 PRO CA C 13 64.252 0.400 . 1 . . . . A 9 PRO CA . 34434 1 51 . 1 . 1 5 5 PRO CB C 13 32.010 0.400 . 1 . . . . A 9 PRO CB . 34434 1 52 . 1 . 1 5 5 PRO CG C 13 27.753 0.400 . 1 . . . . A 9 PRO CG . 34434 1 53 . 1 . 1 5 5 PRO CD C 13 50.534 0.400 . 1 . . . . A 9 PRO CD . 34434 1 54 . 1 . 1 6 6 GLY H H 1 8.807 0.020 . 1 . . . . A 10 GLY H . 34434 1 55 . 1 . 1 6 6 GLY HA2 H 1 3.145 0.020 . 1 . . . . A 10 GLY HA2 . 34434 1 56 . 1 . 1 6 6 GLY HA3 H 1 4.004 0.020 . 1 . . . . A 10 GLY HA3 . 34434 1 57 . 1 . 1 6 6 GLY CA C 13 45.041 0.400 . 1 . . . . A 10 GLY CA . 34434 1 58 . 1 . 1 6 6 GLY N N 15 111.785 0.400 . 1 . . . . A 10 GLY N . 34434 1 59 . 1 . 1 7 7 TRP H H 1 7.282 0.020 . 1 . . . . A 11 TRP H . 34434 1 60 . 1 . 1 7 7 TRP HA H 1 5.185 0.020 . 1 . . . . A 11 TRP HA . 34434 1 61 . 1 . 1 7 7 TRP HB2 H 1 3.211 0.020 . 1 . . . . A 11 TRP HB2 . 34434 1 62 . 1 . 1 7 7 TRP HB3 H 1 2.936 0.020 . 1 . . . . A 11 TRP HB3 . 34434 1 63 . 1 . 1 7 7 TRP HD1 H 1 6.956 0.020 . 1 . . . . A 11 TRP HD1 . 34434 1 64 . 1 . 1 7 7 TRP HE1 H 1 10.736 0.020 . 1 . . . . A 11 TRP HE1 . 34434 1 65 . 1 . 1 7 7 TRP HE3 H 1 7.316 0.020 . 1 . . . . A 11 TRP HE3 . 34434 1 66 . 1 . 1 7 7 TRP HZ2 H 1 7.430 0.020 . 1 . . . . A 11 TRP HZ2 . 34434 1 67 . 1 . 1 7 7 TRP HZ3 H 1 6.945 0.020 . 1 . . . . A 11 TRP HZ3 . 34434 1 68 . 1 . 1 7 7 TRP HH2 H 1 6.946 0.020 . 1 . . . . A 11 TRP HH2 . 34434 1 69 . 1 . 1 7 7 TRP CA C 13 57.201 0.400 . 1 . . . . A 11 TRP CA . 34434 1 70 . 1 . 1 7 7 TRP CB C 13 32.411 0.400 . 1 . . . . A 11 TRP CB . 34434 1 71 . 1 . 1 7 7 TRP CD1 C 13 128.031 0.400 . 1 . . . . A 11 TRP CD1 . 34434 1 72 . 1 . 1 7 7 TRP CE3 C 13 120.249 0.400 . 1 . . . . A 11 TRP CE3 . 34434 1 73 . 1 . 1 7 7 TRP CZ2 C 13 114.855 0.400 . 1 . . . . A 11 TRP CZ2 . 34434 1 74 . 1 . 1 7 7 TRP CZ3 C 13 123.017 0.400 . 1 . . . . A 11 TRP CZ3 . 34434 1 75 . 1 . 1 7 7 TRP CH2 C 13 125.249 0.400 . 1 . . . . A 11 TRP CH2 . 34434 1 76 . 1 . 1 7 7 TRP N N 15 117.361 0.400 . 1 . . . . A 11 TRP N . 34434 1 77 . 1 . 1 7 7 TRP NE1 N 15 129.969 0.400 . 1 . . . . A 11 TRP NE1 . 34434 1 78 . 1 . 1 8 8 GLU H H 1 9.647 0.020 . 1 . . . . A 12 GLU H . 34434 1 79 . 1 . 1 8 8 GLU HA H 1 4.802 0.020 . 1 . . . . A 12 GLU HA . 34434 1 80 . 1 . 1 8 8 GLU HB2 H 1 2.159 0.020 . 2 . . . . A 12 GLU HB2 . 34434 1 81 . 1 . 1 8 8 GLU HB3 H 1 2.159 0.020 . 2 . . . . A 12 GLU HB3 . 34434 1 82 . 1 . 1 8 8 GLU HG2 H 1 2.582 0.020 . 2 . . . . A 12 GLU HG2 . 34434 1 83 . 1 . 1 8 8 GLU HG3 H 1 2.252 0.020 . 2 . . . . A 12 GLU HG3 . 34434 1 84 . 1 . 1 8 8 GLU CA C 13 54.428 0.400 . 1 . . . . A 12 GLU CA . 34434 1 85 . 1 . 1 8 8 GLU CB C 13 33.951 0.400 . 1 . . . . A 12 GLU CB . 34434 1 86 . 1 . 1 8 8 GLU CG C 13 36.010 0.400 . 1 . . . . A 12 GLU CG . 34434 1 87 . 1 . 1 8 8 GLU N N 15 120.813 0.400 . 1 . . . . A 12 GLU N . 34434 1 88 . 1 . 1 9 9 LYS H H 1 8.924 0.020 . 1 . . . . A 13 LYS H . 34434 1 89 . 1 . 1 9 9 LYS HA H 1 4.391 0.020 . 1 . . . . A 13 LYS HA . 34434 1 90 . 1 . 1 9 9 LYS HB2 H 1 1.571 0.020 . 1 . . . . A 13 LYS HB2 . 34434 1 91 . 1 . 1 9 9 LYS HB3 H 1 1.729 0.020 . 1 . . . . A 13 LYS HB3 . 34434 1 92 . 1 . 1 9 9 LYS HG2 H 1 1.004 0.020 . 2 . . . . A 13 LYS HG2 . 34434 1 93 . 1 . 1 9 9 LYS HG3 H 1 1.004 0.020 . 2 . . . . A 13 LYS HG3 . 34434 1 94 . 1 . 1 9 9 LYS HD2 H 1 1.636 0.020 . 1 . . . . A 13 LYS HD2 . 34434 1 95 . 1 . 1 9 9 LYS HD3 H 1 1.718 0.020 . 1 . . . . A 13 LYS HD3 . 34434 1 96 . 1 . 1 9 9 LYS HE2 H 1 2.889 0.020 . 2 . . . . A 13 LYS HE2 . 34434 1 97 . 1 . 1 9 9 LYS HE3 H 1 2.889 0.020 . 2 . . . . A 13 LYS HE3 . 34434 1 98 . 1 . 1 9 9 LYS CA C 13 56.019 0.400 . 1 . . . . A 13 LYS CA . 34434 1 99 . 1 . 1 9 9 LYS CB C 13 33.986 0.400 . 1 . . . . A 13 LYS CB . 34434 1 100 . 1 . 1 9 9 LYS CG C 13 25.010 0.400 . 1 . . . . A 13 LYS CG . 34434 1 101 . 1 . 1 9 9 LYS CD C 13 29.868 0.400 . 1 . . . . A 13 LYS CD . 34434 1 102 . 1 . 1 9 9 LYS CE C 13 41.877 0.400 . 1 . . . . A 13 LYS CE . 34434 1 103 . 1 . 1 9 9 LYS N N 15 125.756 0.400 . 1 . . . . A 13 LYS N . 34434 1 104 . 1 . 1 10 10 ARG H H 1 8.829 0.020 . 1 . . . . A 14 ARG H . 34434 1 105 . 1 . 1 10 10 ARG HA H 1 4.247 0.020 . 1 . . . . A 14 ARG HA . 34434 1 106 . 1 . 1 10 10 ARG HB2 H 1 -0.069 0.020 . 1 . . . . A 14 ARG HB2 . 34434 1 107 . 1 . 1 10 10 ARG HB3 H 1 1.093 0.020 . 1 . . . . A 14 ARG HB3 . 34434 1 108 . 1 . 1 10 10 ARG HG2 H 1 1.081 0.020 . 2 . . . . A 14 ARG HG2 . 34434 1 109 . 1 . 1 10 10 ARG HG3 H 1 0.944 0.020 . 2 . . . . A 14 ARG HG3 . 34434 1 110 . 1 . 1 10 10 ARG HD2 H 1 2.561 0.020 . 2 . . . . A 14 ARG HD2 . 34434 1 111 . 1 . 1 10 10 ARG HD3 H 1 2.355 0.020 . 2 . . . . A 14 ARG HD3 . 34434 1 112 . 1 . 1 10 10 ARG HH21 H 1 6.364 0.020 . 1 . . . . A 14 ARG HH21 . 34434 1 113 . 1 . 1 10 10 ARG HH22 H 1 6.186 0.020 . 1 . . . . A 14 ARG HH22 . 34434 1 114 . 1 . 1 10 10 ARG CA C 13 53.658 0.400 . 1 . . . . A 14 ARG CA . 34434 1 115 . 1 . 1 10 10 ARG CB C 13 34.103 0.400 . 1 . . . . A 14 ARG CB . 34434 1 116 . 1 . 1 10 10 ARG CG C 13 27.121 0.400 . 1 . . . . A 14 ARG CG . 34434 1 117 . 1 . 1 10 10 ARG CD C 13 42.475 0.400 . 1 . . . . A 14 ARG CD . 34434 1 118 . 1 . 1 10 10 ARG N N 15 128.031 0.400 . 1 . . . . A 14 ARG N . 34434 1 119 . 1 . 1 10 10 ARG NH2 N 15 71.384 0.400 . 1 . . . . A 14 ARG NH2 . 34434 1 120 . 1 . 1 11 11 MET H H 1 8.088 0.020 . 1 . . . . A 15 MET H . 34434 1 121 . 1 . 1 11 11 MET HB2 H 1 1.741 0.020 . 2 . . . . A 15 MET HB2 . 34434 1 122 . 1 . 1 11 11 MET HB3 H 1 1.741 0.020 . 2 . . . . A 15 MET HB3 . 34434 1 123 . 1 . 1 11 11 MET HG2 H 1 2.351 0.020 . 2 . . . . A 15 MET HG2 . 34434 1 124 . 1 . 1 11 11 MET HG3 H 1 2.206 0.020 . 2 . . . . A 15 MET HG3 . 34434 1 125 . 1 . 1 11 11 MET HE1 H 1 1.962 0.020 . 1 . . . . A 15 MET HE1 . 34434 1 126 . 1 . 1 11 11 MET HE2 H 1 1.962 0.020 . 1 . . . . A 15 MET HE2 . 34434 1 127 . 1 . 1 11 11 MET HE3 H 1 1.962 0.020 . 1 . . . . A 15 MET HE3 . 34434 1 128 . 1 . 1 11 11 MET CB C 13 34.512 0.400 . 1 . . . . A 15 MET CB . 34434 1 129 . 1 . 1 11 11 MET CG C 13 31.701 0.400 . 1 . . . . A 15 MET CG . 34434 1 130 . 1 . 1 11 11 MET N N 15 117.528 0.400 . 1 . . . . A 15 MET N . 34434 1 131 . 1 . 1 12 12 SER H H 1 9.225 0.020 . 1 . . . . A 16 SER H . 34434 1 132 . 1 . 1 12 12 SER HA H 1 4.933 0.020 . 1 . . . . A 16 SER HA . 34434 1 133 . 1 . 1 12 12 SER HB2 H 1 4.177 0.020 . 2 . . . . A 16 SER HB2 . 34434 1 134 . 1 . 1 12 12 SER HB3 H 1 4.177 0.020 . 2 . . . . A 16 SER HB3 . 34434 1 135 . 1 . 1 12 12 SER CB C 13 63.450 0.400 . 1 . . . . A 16 SER CB . 34434 1 136 . 1 . 1 12 12 SER N N 15 121.434 0.400 . 1 . . . . A 16 SER N . 34434 1 137 . 1 . 1 13 13 ARG HA H 1 4.101 0.020 . 1 . . . . A 17 ARG HA . 34434 1 138 . 1 . 1 13 13 ARG HB2 H 1 1.917 0.020 . 2 . . . . A 17 ARG HB2 . 34434 1 139 . 1 . 1 13 13 ARG HB3 H 1 1.917 0.020 . 2 . . . . A 17 ARG HB3 . 34434 1 140 . 1 . 1 13 13 ARG HG2 H 1 1.844 0.020 . 2 . . . . A 17 ARG HG2 . 34434 1 141 . 1 . 1 13 13 ARG HG3 H 1 1.844 0.020 . 2 . . . . A 17 ARG HG3 . 34434 1 142 . 1 . 1 13 13 ARG HD2 H 1 3.311 0.020 . 2 . . . . A 17 ARG HD2 . 34434 1 143 . 1 . 1 13 13 ARG HD3 H 1 3.192 0.020 . 2 . . . . A 17 ARG HD3 . 34434 1 144 . 1 . 1 13 13 ARG CA C 13 58.189 0.400 . 1 . . . . A 17 ARG CA . 34434 1 145 . 1 . 1 13 13 ARG CB C 13 30.304 0.400 . 1 . . . . A 17 ARG CB . 34434 1 146 . 1 . 1 13 13 ARG CG C 13 26.747 0.400 . 1 . . . . A 17 ARG CG . 34434 1 147 . 1 . 1 13 13 ARG CD C 13 43.238 0.400 . 1 . . . . A 17 ARG CD . 34434 1 148 . 1 . 1 14 14 ASN H H 1 8.511 0.020 . 1 . . . . A 18 ASN H . 34434 1 149 . 1 . 1 14 14 ASN HA H 1 4.671 0.020 . 1 . . . . A 18 ASN HA . 34434 1 150 . 1 . 1 14 14 ASN HB2 H 1 2.733 0.020 . 2 . . . . A 18 ASN HB2 . 34434 1 151 . 1 . 1 14 14 ASN HB3 H 1 2.733 0.020 . 2 . . . . A 18 ASN HB3 . 34434 1 152 . 1 . 1 14 14 ASN HD21 H 1 8.309 0.020 . 2 . . . . A 18 ASN HD21 . 34434 1 153 . 1 . 1 14 14 ASN HD22 H 1 7.068 0.020 . 2 . . . . A 18 ASN HD22 . 34434 1 154 . 1 . 1 14 14 ASN CA C 13 55.253 0.400 . 1 . . . . A 18 ASN CA . 34434 1 155 . 1 . 1 14 14 ASN CB C 13 40.068 0.400 . 1 . . . . A 18 ASN CB . 34434 1 156 . 1 . 1 14 14 ASN N N 15 115.667 0.400 . 1 . . . . A 18 ASN N . 34434 1 157 . 1 . 1 14 14 ASN ND2 N 15 117.012 0.400 . 1 . . . . A 18 ASN ND2 . 34434 1 158 . 1 . 1 15 15 SER H H 1 8.236 0.020 . 1 . . . . A 19 SER H . 34434 1 159 . 1 . 1 15 15 SER HA H 1 4.629 0.020 . 1 . . . . A 19 SER HA . 34434 1 160 . 1 . 1 15 15 SER HB2 H 1 3.979 0.020 . 1 . . . . A 19 SER HB2 . 34434 1 161 . 1 . 1 15 15 SER HB3 H 1 3.860 0.020 . 1 . . . . A 19 SER HB3 . 34434 1 162 . 1 . 1 15 15 SER CA C 13 58.215 0.400 . 1 . . . . A 19 SER CA . 34434 1 163 . 1 . 1 15 15 SER CB C 13 65.866 0.400 . 1 . . . . A 19 SER CB . 34434 1 164 . 1 . 1 15 15 SER N N 15 111.265 0.400 . 1 . . . . A 19 SER N . 34434 1 165 . 1 . 1 16 16 GLY H H 1 7.789 0.020 . 1 . . . . A 20 GLY H . 34434 1 166 . 1 . 1 16 16 GLY HA2 H 1 4.105 0.020 . 2 . . . . A 20 GLY HA2 . 34434 1 167 . 1 . 1 16 16 GLY HA3 H 1 3.895 0.020 . 2 . . . . A 20 GLY HA3 . 34434 1 168 . 1 . 1 16 16 GLY CA C 13 46.160 0.400 . 1 . . . . A 20 GLY CA . 34434 1 169 . 1 . 1 16 16 GLY N N 15 111.922 0.400 . 1 . . . . A 20 GLY N . 34434 1 170 . 1 . 1 17 17 ARG H H 1 7.753 0.020 . 1 . . . . A 21 ARG H . 34434 1 171 . 1 . 1 17 17 ARG HA H 1 4.331 0.020 . 1 . . . . A 21 ARG HA . 34434 1 172 . 1 . 1 17 17 ARG HB2 H 1 1.705 0.020 . 1 . . . . A 21 ARG HB2 . 34434 1 173 . 1 . 1 17 17 ARG HB3 H 1 1.988 0.020 . 1 . . . . A 21 ARG HB3 . 34434 1 174 . 1 . 1 17 17 ARG HG2 H 1 1.676 0.020 . 2 . . . . A 21 ARG HG2 . 34434 1 175 . 1 . 1 17 17 ARG HG3 H 1 1.676 0.020 . 2 . . . . A 21 ARG HG3 . 34434 1 176 . 1 . 1 17 17 ARG HD2 H 1 2.939 0.020 . 1 . . . . A 21 ARG HD2 . 34434 1 177 . 1 . 1 17 17 ARG HD3 H 1 2.652 0.020 . 1 . . . . A 21 ARG HD3 . 34434 1 178 . 1 . 1 17 17 ARG HH21 H 1 6.259 0.020 . 1 . . . . A 21 ARG HH21 . 34434 1 179 . 1 . 1 17 17 ARG HH22 H 1 6.129 0.020 . 1 . . . . A 21 ARG HH22 . 34434 1 180 . 1 . 1 17 17 ARG CA C 13 56.428 0.400 . 1 . . . . A 21 ARG CA . 34434 1 181 . 1 . 1 17 17 ARG CB C 13 32.489 0.400 . 1 . . . . A 21 ARG CB . 34434 1 182 . 1 . 1 17 17 ARG CG C 13 26.862 0.400 . 1 . . . . A 21 ARG CG . 34434 1 183 . 1 . 1 17 17 ARG CD C 13 43.589 0.400 . 1 . . . . A 21 ARG CD . 34434 1 184 . 1 . 1 17 17 ARG N N 15 119.189 0.400 . 1 . . . . A 21 ARG N . 34434 1 185 . 1 . 1 17 17 ARG NH2 N 15 69.422 0.400 . 1 . . . . A 21 ARG NH2 . 34434 1 186 . 1 . 1 18 18 VAL H H 1 8.570 0.020 . 1 . . . . A 22 VAL H . 34434 1 187 . 1 . 1 18 18 VAL HA H 1 4.478 0.020 . 1 . . . . A 22 VAL HA . 34434 1 188 . 1 . 1 18 18 VAL HB H 1 1.910 0.020 . 1 . . . . A 22 VAL HB . 34434 1 189 . 1 . 1 18 18 VAL HG11 H 1 0.726 0.020 . 2 . . . . A 22 VAL HG11 . 34434 1 190 . 1 . 1 18 18 VAL HG12 H 1 0.726 0.020 . 2 . . . . A 22 VAL HG12 . 34434 1 191 . 1 . 1 18 18 VAL HG13 H 1 0.726 0.020 . 2 . . . . A 22 VAL HG13 . 34434 1 192 . 1 . 1 18 18 VAL HG21 H 1 1.027 0.020 . 2 . . . . A 22 VAL HG21 . 34434 1 193 . 1 . 1 18 18 VAL HG22 H 1 1.027 0.020 . 2 . . . . A 22 VAL HG22 . 34434 1 194 . 1 . 1 18 18 VAL HG23 H 1 1.027 0.020 . 2 . . . . A 22 VAL HG23 . 34434 1 195 . 1 . 1 18 18 VAL CA C 13 62.619 0.400 . 1 . . . . A 22 VAL CA . 34434 1 196 . 1 . 1 18 18 VAL CB C 13 32.701 0.400 . 1 . . . . A 22 VAL CB . 34434 1 197 . 1 . 1 18 18 VAL CG1 C 13 22.579 0.400 . 2 . . . . A 22 VAL CG1 . 34434 1 198 . 1 . 1 18 18 VAL CG2 C 13 21.606 0.400 . 2 . . . . A 22 VAL CG2 . 34434 1 199 . 1 . 1 18 18 VAL N N 15 124.980 0.400 . 1 . . . . A 22 VAL N . 34434 1 200 . 1 . 1 19 19 TYR H H 1 8.682 0.020 . 1 . . . . A 23 TYR H . 34434 1 201 . 1 . 1 19 19 TYR HA H 1 4.882 0.020 . 1 . . . . A 23 TYR HA . 34434 1 202 . 1 . 1 19 19 TYR HB2 H 1 2.507 0.020 . 2 . . . . A 23 TYR HB2 . 34434 1 203 . 1 . 1 19 19 TYR HB3 H 1 2.694 0.020 . 2 . . . . A 23 TYR HB3 . 34434 1 204 . 1 . 1 19 19 TYR HD1 H 1 6.904 0.020 . 1 . . . . A 23 TYR HD1 . 34434 1 205 . 1 . 1 19 19 TYR HD2 H 1 6.904 0.020 . 1 . . . . A 23 TYR HD2 . 34434 1 206 . 1 . 1 19 19 TYR HE1 H 1 6.374 0.020 . 1 . . . . A 23 TYR HE1 . 34434 1 207 . 1 . 1 19 19 TYR HE2 H 1 6.374 0.020 . 1 . . . . A 23 TYR HE2 . 34434 1 208 . 1 . 1 19 19 TYR CA C 13 55.671 0.400 . 1 . . . . A 23 TYR CA . 34434 1 209 . 1 . 1 19 19 TYR CB C 13 40.869 0.400 . 1 . . . . A 23 TYR CB . 34434 1 210 . 1 . 1 19 19 TYR CD1 C 13 133.746 0.400 . 3 . . . . A 23 TYR CD1 . 34434 1 211 . 1 . 1 19 19 TYR CE1 C 13 118.295 0.400 . 3 . . . . A 23 TYR CE1 . 34434 1 212 . 1 . 1 19 19 TYR N N 15 122.819 0.400 . 1 . . . . A 23 TYR N . 34434 1 213 . 1 . 1 20 20 TYR H H 1 9.245 0.020 . 1 . . . . A 24 TYR H . 34434 1 214 . 1 . 1 20 20 TYR HA H 1 5.353 0.020 . 1 . . . . A 24 TYR HA . 34434 1 215 . 1 . 1 20 20 TYR HB2 H 1 2.634 0.020 . 1 . . . . A 24 TYR HB2 . 34434 1 216 . 1 . 1 20 20 TYR HB3 H 1 2.891 0.020 . 1 . . . . A 24 TYR HB3 . 34434 1 217 . 1 . 1 20 20 TYR HD1 H 1 6.814 0.020 . 1 . . . . A 24 TYR HD1 . 34434 1 218 . 1 . 1 20 20 TYR HD2 H 1 6.814 0.020 . 1 . . . . A 24 TYR HD2 . 34434 1 219 . 1 . 1 20 20 TYR HE1 H 1 6.714 0.020 . 1 . . . . A 24 TYR HE1 . 34434 1 220 . 1 . 1 20 20 TYR HE2 H 1 6.714 0.020 . 1 . . . . A 24 TYR HE2 . 34434 1 221 . 1 . 1 20 20 TYR CA C 13 56.703 0.400 . 1 . . . . A 24 TYR CA . 34434 1 222 . 1 . 1 20 20 TYR CB C 13 41.556 0.400 . 1 . . . . A 24 TYR CB . 34434 1 223 . 1 . 1 20 20 TYR CD1 C 13 133.665 0.400 . 3 . . . . A 24 TYR CD1 . 34434 1 224 . 1 . 1 20 20 TYR CE1 C 13 117.035 0.400 . 3 . . . . A 24 TYR CE1 . 34434 1 225 . 1 . 1 20 20 TYR N N 15 117.184 0.400 . 1 . . . . A 24 TYR N . 34434 1 226 . 1 . 1 21 21 PHE H H 1 9.393 0.020 . 1 . . . . A 25 PHE H . 34434 1 227 . 1 . 1 21 21 PHE HA H 1 5.681 0.020 . 1 . . . . A 25 PHE HA . 34434 1 228 . 1 . 1 21 21 PHE HB2 H 1 3.010 0.020 . 1 . . . . A 25 PHE HB2 . 34434 1 229 . 1 . 1 21 21 PHE HB3 H 1 2.785 0.020 . 1 . . . . A 25 PHE HB3 . 34434 1 230 . 1 . 1 21 21 PHE HD1 H 1 7.022 0.020 . 1 . . . . A 25 PHE HD1 . 34434 1 231 . 1 . 1 21 21 PHE HD2 H 1 7.022 0.020 . 1 . . . . A 25 PHE HD2 . 34434 1 232 . 1 . 1 21 21 PHE HZ H 1 7.287 0.020 . 1 . . . . A 25 PHE HZ . 34434 1 233 . 1 . 1 21 21 PHE CA C 13 56.104 0.400 . 1 . . . . A 25 PHE CA . 34434 1 234 . 1 . 1 21 21 PHE CB C 13 44.429 0.400 . 1 . . . . A 25 PHE CB . 34434 1 235 . 1 . 1 21 21 PHE CD1 C 13 131.596 0.400 . 3 . . . . A 25 PHE CD1 . 34434 1 236 . 1 . 1 21 21 PHE CZ C 13 129.928 0.400 . 1 . . . . A 25 PHE CZ . 34434 1 237 . 1 . 1 21 21 PHE N N 15 124.243 0.400 . 1 . . . . A 25 PHE N . 34434 1 238 . 1 . 1 22 22 ASN H H 1 8.290 0.020 . 1 . . . . A 26 ASN H . 34434 1 239 . 1 . 1 22 22 ASN HA H 1 4.473 0.020 . 1 . . . . A 26 ASN HA . 34434 1 240 . 1 . 1 22 22 ASN HB2 H 1 -0.827 0.020 . 1 . . . . A 26 ASN HB2 . 34434 1 241 . 1 . 1 22 22 ASN HB3 H 1 1.907 0.020 . 1 . . . . A 26 ASN HB3 . 34434 1 242 . 1 . 1 22 22 ASN HD21 H 1 4.059 0.020 . 1 . . . . A 26 ASN HD21 . 34434 1 243 . 1 . 1 22 22 ASN HD22 H 1 6.610 0.020 . 1 . . . . A 26 ASN HD22 . 34434 1 244 . 1 . 1 22 22 ASN CA C 13 50.553 0.400 . 1 . . . . A 26 ASN CA . 34434 1 245 . 1 . 1 22 22 ASN CB C 13 37.781 0.400 . 1 . . . . A 26 ASN CB . 34434 1 246 . 1 . 1 22 22 ASN N N 15 129.426 0.400 . 1 . . . . A 26 ASN N . 34434 1 247 . 1 . 1 22 22 ASN ND2 N 15 109.917 0.400 . 1 . . . . A 26 ASN ND2 . 34434 1 248 . 1 . 1 23 23 HIS H H 1 8.092 0.020 . 1 . . . . A 27 HIS H . 34434 1 249 . 1 . 1 23 23 HIS HA H 1 4.347 0.020 . 1 . . . . A 27 HIS HA . 34434 1 250 . 1 . 1 23 23 HIS HB2 H 1 3.233 0.020 . 2 . . . . A 27 HIS HB2 . 34434 1 251 . 1 . 1 23 23 HIS HB3 H 1 3.503 0.020 . 2 . . . . A 27 HIS HB3 . 34434 1 252 . 1 . 1 23 23 HIS HD2 H 1 7.193 0.020 . 1 . . . . A 27 HIS HD2 . 34434 1 253 . 1 . 1 23 23 HIS CA C 13 57.038 0.400 . 1 . . . . A 27 HIS CA . 34434 1 254 . 1 . 1 23 23 HIS CB C 13 28.507 0.400 . 1 . . . . A 27 HIS CB . 34434 1 255 . 1 . 1 23 23 HIS CD2 C 13 120.417 0.400 . 1 . . . . A 27 HIS CD2 . 34434 1 256 . 1 . 1 23 23 HIS N N 15 120.038 0.400 . 1 . . . . A 27 HIS N . 34434 1 257 . 1 . 1 24 24 ILE H H 1 8.478 0.020 . 1 . . . . A 28 ILE H . 34434 1 258 . 1 . 1 24 24 ILE HA H 1 3.838 0.020 . 1 . . . . A 28 ILE HA . 34434 1 259 . 1 . 1 24 24 ILE HB H 1 1.978 0.020 . 1 . . . . A 28 ILE HB . 34434 1 260 . 1 . 1 24 24 ILE HG12 H 1 0.891 0.020 . 1 . . . . A 28 ILE HG12 . 34434 1 261 . 1 . 1 24 24 ILE HG13 H 1 1.174 0.020 . 1 . . . . A 28 ILE HG13 . 34434 1 262 . 1 . 1 24 24 ILE HG21 H 1 0.744 0.020 . 1 . . . . A 28 ILE HG21 . 34434 1 263 . 1 . 1 24 24 ILE HG22 H 1 0.744 0.020 . 1 . . . . A 28 ILE HG22 . 34434 1 264 . 1 . 1 24 24 ILE HG23 H 1 0.744 0.020 . 1 . . . . A 28 ILE HG23 . 34434 1 265 . 1 . 1 24 24 ILE HD11 H 1 0.697 0.020 . 1 . . . . A 28 ILE HD11 . 34434 1 266 . 1 . 1 24 24 ILE HD12 H 1 0.697 0.020 . 1 . . . . A 28 ILE HD12 . 34434 1 267 . 1 . 1 24 24 ILE HD13 H 1 0.697 0.020 . 1 . . . . A 28 ILE HD13 . 34434 1 268 . 1 . 1 24 24 ILE CA C 13 63.464 0.400 . 1 . . . . A 28 ILE CA . 34434 1 269 . 1 . 1 24 24 ILE CB C 13 37.168 0.400 . 1 . . . . A 28 ILE CB . 34434 1 270 . 1 . 1 24 24 ILE CG1 C 13 27.788 0.400 . 1 . . . . A 28 ILE CG1 . 34434 1 271 . 1 . 1 24 24 ILE CG2 C 13 16.869 0.400 . 1 . . . . A 28 ILE CG2 . 34434 1 272 . 1 . 1 24 24 ILE CD1 C 13 12.157 0.400 . 1 . . . . A 28 ILE CD1 . 34434 1 273 . 1 . 1 24 24 ILE N N 15 122.749 0.400 . 1 . . . . A 28 ILE N . 34434 1 274 . 1 . 1 25 25 THR H H 1 7.327 0.020 . 1 . . . . A 29 THR H . 34434 1 275 . 1 . 1 25 25 THR HA H 1 4.055 0.020 . 1 . . . . A 29 THR HA . 34434 1 276 . 1 . 1 25 25 THR HB H 1 4.197 0.020 . 1 . . . . A 29 THR HB . 34434 1 277 . 1 . 1 25 25 THR HG21 H 1 0.888 0.020 . 1 . . . . A 29 THR HG21 . 34434 1 278 . 1 . 1 25 25 THR HG22 H 1 0.888 0.020 . 1 . . . . A 29 THR HG22 . 34434 1 279 . 1 . 1 25 25 THR HG23 H 1 0.888 0.020 . 1 . . . . A 29 THR HG23 . 34434 1 280 . 1 . 1 25 25 THR CA C 13 61.211 0.400 . 1 . . . . A 29 THR CA . 34434 1 281 . 1 . 1 25 25 THR CB C 13 69.871 0.400 . 1 . . . . A 29 THR CB . 34434 1 282 . 1 . 1 25 25 THR CG2 C 13 21.210 0.400 . 1 . . . . A 29 THR CG2 . 34434 1 283 . 1 . 1 25 25 THR N N 15 108.102 0.400 . 1 . . . . A 29 THR N . 34434 1 284 . 1 . 1 26 26 ASN H H 1 7.965 0.020 . 1 . . . . A 30 ASN H . 34434 1 285 . 1 . 1 26 26 ASN HA H 1 4.058 0.020 . 1 . . . . A 30 ASN HA . 34434 1 286 . 1 . 1 26 26 ASN HB2 H 1 3.161 0.020 . 1 . . . . A 30 ASN HB2 . 34434 1 287 . 1 . 1 26 26 ASN HB3 H 1 2.926 0.020 . 1 . . . . A 30 ASN HB3 . 34434 1 288 . 1 . 1 26 26 ASN HD21 H 1 7.585 0.020 . 1 . . . . A 30 ASN HD21 . 34434 1 289 . 1 . 1 26 26 ASN HD22 H 1 6.941 0.020 . 1 . . . . A 30 ASN HD22 . 34434 1 290 . 1 . 1 26 26 ASN CA C 13 54.791 0.400 . 1 . . . . A 30 ASN CA . 34434 1 291 . 1 . 1 26 26 ASN CB C 13 37.372 0.400 . 1 . . . . A 30 ASN CB . 34434 1 292 . 1 . 1 26 26 ASN N N 15 118.725 0.400 . 1 . . . . A 30 ASN N . 34434 1 293 . 1 . 1 26 26 ASN ND2 N 15 113.413 0.400 . 1 . . . . A 30 ASN ND2 . 34434 1 294 . 1 . 1 27 27 ALA H H 1 6.843 0.020 . 1 . . . . A 31 ALA H . 34434 1 295 . 1 . 1 27 27 ALA HA H 1 4.386 0.020 . 1 . . . . A 31 ALA HA . 34434 1 296 . 1 . 1 27 27 ALA HB1 H 1 1.146 0.020 . 1 . . . . A 31 ALA HB1 . 34434 1 297 . 1 . 1 27 27 ALA HB2 H 1 1.146 0.020 . 1 . . . . A 31 ALA HB2 . 34434 1 298 . 1 . 1 27 27 ALA HB3 H 1 1.146 0.020 . 1 . . . . A 31 ALA HB3 . 34434 1 299 . 1 . 1 27 27 ALA CA C 13 51.773 0.400 . 1 . . . . A 31 ALA CA . 34434 1 300 . 1 . 1 27 27 ALA CB C 13 21.021 0.400 . 1 . . . . A 31 ALA CB . 34434 1 301 . 1 . 1 27 27 ALA N N 15 120.309 0.400 . 1 . . . . A 31 ALA N . 34434 1 302 . 1 . 1 28 28 SER H H 1 8.303 0.020 . 1 . . . . A 32 SER H . 34434 1 303 . 1 . 1 28 28 SER HA H 1 5.754 0.020 . 1 . . . . A 32 SER HA . 34434 1 304 . 1 . 1 28 28 SER HB2 H 1 3.710 0.020 . 2 . . . . A 32 SER HB2 . 34434 1 305 . 1 . 1 28 28 SER HB3 H 1 3.505 0.020 . 2 . . . . A 32 SER HB3 . 34434 1 306 . 1 . 1 28 28 SER CA C 13 56.486 0.400 . 1 . . . . A 32 SER CA . 34434 1 307 . 1 . 1 28 28 SER CB C 13 66.379 0.400 . 1 . . . . A 32 SER CB . 34434 1 308 . 1 . 1 28 28 SER N N 15 113.126 0.400 . 1 . . . . A 32 SER N . 34434 1 309 . 1 . 1 29 29 GLN H H 1 9.560 0.020 . 1 . . . . A 33 GLN H . 34434 1 310 . 1 . 1 29 29 GLN HA H 1 4.998 0.020 . 1 . . . . A 33 GLN HA . 34434 1 311 . 1 . 1 29 29 GLN HB2 H 1 2.453 0.020 . 1 . . . . A 33 GLN HB2 . 34434 1 312 . 1 . 1 29 29 GLN HB3 H 1 2.251 0.020 . 1 . . . . A 33 GLN HB3 . 34434 1 313 . 1 . 1 29 29 GLN HG2 H 1 2.714 0.020 . 2 . . . . A 33 GLN HG2 . 34434 1 314 . 1 . 1 29 29 GLN HG3 H 1 2.714 0.020 . 2 . . . . A 33 GLN HG3 . 34434 1 315 . 1 . 1 29 29 GLN HE21 H 1 7.560 0.020 . 1 . . . . A 33 GLN HE21 . 34434 1 316 . 1 . 1 29 29 GLN HE22 H 1 6.833 0.020 . 1 . . . . A 33 GLN HE22 . 34434 1 317 . 1 . 1 29 29 GLN CB C 13 31.833 0.400 . 1 . . . . A 33 GLN CB . 34434 1 318 . 1 . 1 29 29 GLN N N 15 120.516 0.400 . 1 . . . . A 33 GLN N . 34434 1 319 . 1 . 1 29 29 GLN NE2 N 15 113.746 0.400 . 1 . . . . A 33 GLN NE2 . 34434 1 320 . 1 . 1 30 30 PHE H H 1 9.107 0.020 . 1 . . . . A 34 PHE H . 34434 1 321 . 1 . 1 30 30 PHE HA H 1 4.807 0.020 . 1 . . . . A 34 PHE HA . 34434 1 322 . 1 . 1 30 30 PHE HB2 H 1 2.879 0.020 . 2 . . . . A 34 PHE HB2 . 34434 1 323 . 1 . 1 30 30 PHE HB3 H 1 3.407 0.020 . 2 . . . . A 34 PHE HB3 . 34434 1 324 . 1 . 1 30 30 PHE HD1 H 1 7.702 0.020 . 1 . . . . A 34 PHE HD1 . 34434 1 325 . 1 . 1 30 30 PHE HD2 H 1 7.702 0.020 . 1 . . . . A 34 PHE HD2 . 34434 1 326 . 1 . 1 30 30 PHE HE1 H 1 7.213 0.020 . 1 . . . . A 34 PHE HE1 . 34434 1 327 . 1 . 1 30 30 PHE HE2 H 1 7.213 0.020 . 1 . . . . A 34 PHE HE2 . 34434 1 328 . 1 . 1 30 30 PHE CA C 13 61.568 0.400 . 1 . . . . A 34 PHE CA . 34434 1 329 . 1 . 1 30 30 PHE CB C 13 39.856 0.400 . 1 . . . . A 34 PHE CB . 34434 1 330 . 1 . 1 30 30 PHE CD1 C 13 131.977 0.400 . 3 . . . . A 34 PHE CD1 . 34434 1 331 . 1 . 1 30 30 PHE CE1 C 13 131.863 0.400 . 3 . . . . A 34 PHE CE1 . 34434 1 332 . 1 . 1 30 30 PHE N N 15 120.418 0.400 . 1 . . . . A 34 PHE N . 34434 1 333 . 1 . 1 31 31 GLU H H 1 8.302 0.020 . 1 . . . . A 35 GLU H . 34434 1 334 . 1 . 1 31 31 GLU HA H 1 4.200 0.020 . 1 . . . . A 35 GLU HA . 34434 1 335 . 1 . 1 31 31 GLU HB2 H 1 1.915 0.020 . 2 . . . . A 35 GLU HB2 . 34434 1 336 . 1 . 1 31 31 GLU HB3 H 1 1.764 0.020 . 2 . . . . A 35 GLU HB3 . 34434 1 337 . 1 . 1 31 31 GLU HG2 H 1 2.305 0.020 . 2 . . . . A 35 GLU HG2 . 34434 1 338 . 1 . 1 31 31 GLU HG3 H 1 2.217 0.020 . 2 . . . . A 35 GLU HG3 . 34434 1 339 . 1 . 1 31 31 GLU CA C 13 56.767 0.400 . 1 . . . . A 35 GLU CA . 34434 1 340 . 1 . 1 31 31 GLU CB C 13 29.532 0.400 . 1 . . . . A 35 GLU CB . 34434 1 341 . 1 . 1 31 31 GLU CG C 13 36.455 0.400 . 1 . . . . A 35 GLU CG . 34434 1 342 . 1 . 1 31 31 GLU N N 15 118.765 0.400 . 1 . . . . A 35 GLU N . 34434 1 343 . 1 . 1 32 32 ARG H H 1 8.616 0.020 . 1 . . . . A 36 ARG H . 34434 1 344 . 1 . 1 32 32 ARG HA H 1 2.813 0.020 . 1 . . . . A 36 ARG HA . 34434 1 345 . 1 . 1 32 32 ARG HB2 H 1 1.378 0.020 . 2 . . . . A 36 ARG HB2 . 34434 1 346 . 1 . 1 32 32 ARG HB3 H 1 1.318 0.020 . 2 . . . . A 36 ARG HB3 . 34434 1 347 . 1 . 1 32 32 ARG HG2 H 1 1.129 0.020 . 2 . . . . A 36 ARG HG2 . 34434 1 348 . 1 . 1 32 32 ARG HG3 H 1 0.775 0.020 . 2 . . . . A 36 ARG HG3 . 34434 1 349 . 1 . 1 32 32 ARG HD2 H 1 2.954 0.020 . 2 . . . . A 36 ARG HD2 . 34434 1 350 . 1 . 1 32 32 ARG HD3 H 1 2.954 0.020 . 2 . . . . A 36 ARG HD3 . 34434 1 351 . 1 . 1 32 32 ARG CA C 13 54.181 0.400 . 1 . . . . A 36 ARG CA . 34434 1 352 . 1 . 1 32 32 ARG CB C 13 29.809 0.400 . 1 . . . . A 36 ARG CB . 34434 1 353 . 1 . 1 32 32 ARG CG C 13 27.092 0.400 . 1 . . . . A 36 ARG CG . 34434 1 354 . 1 . 1 32 32 ARG CD C 13 43.421 0.400 . 1 . . . . A 36 ARG CD . 34434 1 355 . 1 . 1 32 32 ARG N N 15 126.653 0.400 . 1 . . . . A 36 ARG N . 34434 1 356 . 1 . 1 33 33 PRO HA H 1 3.864 0.020 . 1 . . . . A 37 PRO HA . 34434 1 357 . 1 . 1 33 33 PRO HB2 H 1 0.835 0.020 . 1 . . . . A 37 PRO HB2 . 34434 1 358 . 1 . 1 33 33 PRO HB3 H 1 0.732 0.020 . 1 . . . . A 37 PRO HB3 . 34434 1 359 . 1 . 1 33 33 PRO HG2 H 1 0.409 0.020 . 1 . . . . A 37 PRO HG2 . 34434 1 360 . 1 . 1 33 33 PRO HG3 H 1 -0.272 0.020 . 1 . . . . A 37 PRO HG3 . 34434 1 361 . 1 . 1 33 33 PRO HD2 H 1 2.139 0.020 . 1 . . . . A 37 PRO HD2 . 34434 1 362 . 1 . 1 33 33 PRO HD3 H 1 2.456 0.020 . 1 . . . . A 37 PRO HD3 . 34434 1 363 . 1 . 1 33 33 PRO CA C 13 61.952 0.400 . 1 . . . . A 37 PRO CA . 34434 1 364 . 1 . 1 33 33 PRO CB C 13 31.458 0.400 . 1 . . . . A 37 PRO CB . 34434 1 365 . 1 . 1 33 33 PRO CG C 13 25.464 0.400 . 1 . . . . A 37 PRO CG . 34434 1 366 . 1 . 1 33 33 PRO CD C 13 49.872 0.400 . 1 . . . . A 37 PRO CD . 34434 1 367 . 1 . 1 34 34 SER H H 1 8.264 0.020 . 1 . . . . A 38 SER H . 34434 1 368 . 1 . 1 34 34 SER HA H 1 4.252 0.020 . 1 . . . . A 38 SER HA . 34434 1 369 . 1 . 1 34 34 SER HB2 H 1 3.765 0.020 . 2 . . . . A 38 SER HB2 . 34434 1 370 . 1 . 1 34 34 SER HB3 H 1 3.685 0.020 . 2 . . . . A 38 SER HB3 . 34434 1 371 . 1 . 1 34 34 SER CA C 13 57.861 0.400 . 1 . . . . A 38 SER CA . 34434 1 372 . 1 . 1 34 34 SER CB C 13 64.389 0.400 . 1 . . . . A 38 SER CB . 34434 1 373 . 1 . 1 34 34 SER N N 15 115.768 0.400 . 1 . . . . A 38 SER N . 34434 1 374 . 1 . 1 35 35 GLY H H 1 7.964 0.020 . 1 . . . . A 39 GLY H . 34434 1 375 . 1 . 1 35 35 GLY HA2 H 1 3.738 0.020 . 2 . . . . A 39 GLY HA2 . 34434 1 376 . 1 . 1 35 35 GLY HA3 H 1 3.708 0.020 . 2 . . . . A 39 GLY HA3 . 34434 1 377 . 1 . 1 35 35 GLY CA C 13 46.031 0.400 . 1 . . . . A 39 GLY CA . 34434 1 378 . 1 . 1 35 35 GLY N N 15 116.751 0.400 . 1 . . . . A 39 GLY N . 34434 1 stop_ save_