data_34433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34433 _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 3.2.14.0 _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' 34433 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. . . . 34433 2 J. Orts J. . . . 34433 3 M. Friedmann M. . . . 34433 4 P. Guntert P. . . . 34433 5 B. Vogeli B. . . . 34433 6 R. Riek R. . . . 34433 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PEPTIDE BINDING PROTEIN' . 34433 'STRUCTURE FROM CYANA 3.98.12' . 34433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 103 34433 '15N chemical shifts' 36 34433 '1H chemical shifts' 229 34433 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-13 2019-09-18 update BMRB 'update entry citation' 34433 1 . . 2020-10-05 2019-09-18 original author 'original release' 34433 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SVE . 34433 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34433 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32797659 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Protein Allostery at Atomic Resolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 49 _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 22132 _Citation.Page_last 22139 _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 D. Strotz D. . . . 34433 1 2 J. Orts J. . . . 34433 1 3 H. Kadavath H. . . . 34433 1 4 M. Friedmann M. . . . 34433 1 5 D. Ghosh D. . . . 34433 1 6 S. Olsson S. . . . 34433 1 7 C. Chi C. N. . . 34433 1 8 P. Guntert P. . . . 34433 1 9 B. Vogeli B. . . . 34433 1 10 R. Riek R. . . . 34433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34433 _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 . . . . . . 34433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34433 _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 34433 1 'Peptidyl-prolyl cis-trans isomerase Pin1' common 34433 1 'Rotamase Pin1' common 34433 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 . 34433 1 2 6 LYS . 34433 1 3 7 LEU . 34433 1 4 8 PRO . 34433 1 5 9 PRO . 34433 1 6 10 GLY . 34433 1 7 11 TRP . 34433 1 8 12 GLU . 34433 1 9 13 LYS . 34433 1 10 14 ARG . 34433 1 11 15 MET . 34433 1 12 16 SER . 34433 1 13 17 ARG . 34433 1 14 18 ASN . 34433 1 15 19 SER . 34433 1 16 20 GLY . 34433 1 17 21 ARG . 34433 1 18 22 VAL . 34433 1 19 23 TYR . 34433 1 20 24 TYR . 34433 1 21 25 PHE . 34433 1 22 26 ASN . 34433 1 23 27 HIS . 34433 1 24 28 ILE . 34433 1 25 29 THR . 34433 1 26 30 ASN . 34433 1 27 31 ALA . 34433 1 28 32 SER . 34433 1 29 33 GLN . 34433 1 30 34 PHE . 34433 1 31 35 GLU . 34433 1 32 36 ARG . 34433 1 33 37 PRO . 34433 1 34 38 SER . 34433 1 35 39 GLY . 34433 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 34433 1 . LYS 2 2 34433 1 . LEU 3 3 34433 1 . PRO 4 4 34433 1 . PRO 5 5 34433 1 . GLY 6 6 34433 1 . TRP 7 7 34433 1 . GLU 8 8 34433 1 . LYS 9 9 34433 1 . ARG 10 10 34433 1 . MET 11 11 34433 1 . SER 12 12 34433 1 . ARG 13 13 34433 1 . ASN 14 14 34433 1 . SER 15 15 34433 1 . GLY 16 16 34433 1 . ARG 17 17 34433 1 . VAL 18 18 34433 1 . TYR 19 19 34433 1 . TYR 20 20 34433 1 . PHE 21 21 34433 1 . ASN 22 22 34433 1 . HIS 23 23 34433 1 . ILE 24 24 34433 1 . THR 25 25 34433 1 . ASN 26 26 34433 1 . ALA 27 27 34433 1 . SER 28 28 34433 1 . GLN 29 29 34433 1 . PHE 30 30 34433 1 . GLU 31 31 34433 1 . ARG 32 32 34433 1 . PRO 33 33 34433 1 . SER 34 34 34433 1 . GLY 35 35 34433 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 34433 _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 . 34433 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 34433 _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 . . . . . . . . . . . . 34433 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34433 _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, 4.8 mM pCdc25C, 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 . . . . 34433 1 2 pCdc25C 'natural abundance' . . . . . . 4.8 . . mM . . . . 34433 1 3 K2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 34433 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34433 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 34433 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 34433 _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 34433 1 pH 6.0 . pH 34433 1 pressure 1 . atm 34433 1 temperature 277.15 . K 34433 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34433 _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' . . 34433 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34433 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34433 _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' . . 34433 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34433 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34433 _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' . . 34433 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34433 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34433 _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 . . 34433 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34433 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 34433 _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 34433 _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 . . . 34433 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 34433 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34433 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 34433 _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 . . . . . 34433 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34433 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34433 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 34433 _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 . . . 34433 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 8.787 0.020 . 1 . . . . A 6 LYS H . 34433 1 2 . 1 . 1 2 2 LYS HA H 1 4.354 0.020 . 1 . . . . A 6 LYS HA . 34433 1 3 . 1 . 1 2 2 LYS HB2 H 1 1.821 0.020 . 2 . . . . A 6 LYS HB2 . 34433 1 4 . 1 . 1 2 2 LYS HB3 H 1 1.754 0.020 . 2 . . . . A 6 LYS HB3 . 34433 1 5 . 1 . 1 2 2 LYS HG2 H 1 1.454 0.020 . 2 . . . . A 6 LYS HG2 . 34433 1 6 . 1 . 1 2 2 LYS HG3 H 1 1.454 0.020 . 2 . . . . A 6 LYS HG3 . 34433 1 7 . 1 . 1 2 2 LYS HD2 H 1 1.680 0.020 . 1 . . . . A 6 LYS HD2 . 34433 1 8 . 1 . 1 2 2 LYS HE2 H 1 2.995 0.020 . 2 . . . . A 6 LYS HE2 . 34433 1 9 . 1 . 1 2 2 LYS HE3 H 1 2.995 0.020 . 2 . . . . A 6 LYS HE3 . 34433 1 10 . 1 . 1 2 2 LYS CB C 13 33.348 0.400 . 1 . . . . A 6 LYS CB . 34433 1 11 . 1 . 1 2 2 LYS CG C 13 24.491 0.400 . 1 . . . . A 6 LYS CG . 34433 1 12 . 1 . 1 2 2 LYS CD C 13 29.261 0.400 . 1 . . . . A 6 LYS CD . 34433 1 13 . 1 . 1 2 2 LYS CE C 13 42.023 0.400 . 1 . . . . A 6 LYS CE . 34433 1 14 . 1 . 1 2 2 LYS N N 15 122.536 0.400 . 1 . . . . A 6 LYS N . 34433 1 15 . 1 . 1 3 3 LEU H H 1 8.691 0.020 . 1 . . . . A 7 LEU H . 34433 1 16 . 1 . 1 3 3 LEU HA H 1 4.452 0.020 . 1 . . . . A 7 LEU HA . 34433 1 17 . 1 . 1 3 3 LEU HB2 H 1 1.784 0.020 . 1 . . . . A 7 LEU HB2 . 34433 1 18 . 1 . 1 3 3 LEU HB3 H 1 1.380 0.020 . 1 . . . . A 7 LEU HB3 . 34433 1 19 . 1 . 1 3 3 LEU HG H 1 1.858 0.020 . 1 . . . . A 7 LEU HG . 34433 1 20 . 1 . 1 3 3 LEU HD11 H 1 0.714 0.020 . 2 . . . . A 7 LEU HD11 . 34433 1 21 . 1 . 1 3 3 LEU HD12 H 1 0.714 0.020 . 2 . . . . A 7 LEU HD12 . 34433 1 22 . 1 . 1 3 3 LEU HD13 H 1 0.714 0.020 . 2 . . . . A 7 LEU HD13 . 34433 1 23 . 1 . 1 3 3 LEU HD21 H 1 1.038 0.020 . 2 . . . . A 7 LEU HD21 . 34433 1 24 . 1 . 1 3 3 LEU HD22 H 1 1.038 0.020 . 2 . . . . A 7 LEU HD22 . 34433 1 25 . 1 . 1 3 3 LEU HD23 H 1 1.038 0.020 . 2 . . . . A 7 LEU HD23 . 34433 1 26 . 1 . 1 3 3 LEU CA C 13 53.042 0.400 . 1 . . . . A 7 LEU CA . 34433 1 27 . 1 . 1 3 3 LEU CB C 13 41.849 0.400 . 1 . . . . A 7 LEU CB . 34433 1 28 . 1 . 1 3 3 LEU CG C 13 27.256 0.400 . 1 . . . . A 7 LEU CG . 34433 1 29 . 1 . 1 3 3 LEU CD1 C 13 26.346 0.400 . 2 . . . . A 7 LEU CD1 . 34433 1 30 . 1 . 1 3 3 LEU CD2 C 13 23.808 0.400 . 2 . . . . A 7 LEU CD2 . 34433 1 31 . 1 . 1 3 3 LEU N N 15 124.907 0.400 . 1 . . . . A 7 LEU N . 34433 1 32 . 1 . 1 4 4 PRO HA H 1 4.817 0.020 . 1 . . . . A 8 PRO HA . 34433 1 33 . 1 . 1 4 4 PRO HB2 H 1 1.971 0.020 . 1 . . . . A 8 PRO HB2 . 34433 1 34 . 1 . 1 4 4 PRO HB3 H 1 2.583 0.020 . 1 . . . . A 8 PRO HB3 . 34433 1 35 . 1 . 1 4 4 PRO HG2 H 1 1.740 0.020 . 1 . . . . A 8 PRO HG2 . 34433 1 36 . 1 . 1 4 4 PRO HG3 H 1 1.608 0.020 . 1 . . . . A 8 PRO HG3 . 34433 1 37 . 1 . 1 4 4 PRO HD2 H 1 2.963 0.020 . 1 . . . . A 8 PRO HD2 . 34433 1 38 . 1 . 1 4 4 PRO HD3 H 1 3.651 0.020 . 1 . . . . A 8 PRO HD3 . 34433 1 39 . 1 . 1 4 4 PRO CB C 13 29.732 0.400 . 1 . . . . A 8 PRO CB . 34433 1 40 . 1 . 1 4 4 PRO CG C 13 27.376 0.400 . 1 . . . . A 8 PRO CG . 34433 1 41 . 1 . 1 4 4 PRO CD C 13 50.348 0.400 . 1 . . . . A 8 PRO CD . 34433 1 42 . 1 . 1 5 5 PRO HA H 1 4.328 0.020 . 1 . . . . A 9 PRO HA . 34433 1 43 . 1 . 1 5 5 PRO HB2 H 1 2.325 0.020 . 2 . . . . A 9 PRO HB2 . 34433 1 44 . 1 . 1 5 5 PRO HB3 H 1 1.843 0.020 . 2 . . . . A 9 PRO HB3 . 34433 1 45 . 1 . 1 5 5 PRO HG2 H 1 2.032 0.020 . 2 . . . . A 9 PRO HG2 . 34433 1 46 . 1 . 1 5 5 PRO HG3 H 1 2.126 0.020 . 2 . . . . A 9 PRO HG3 . 34433 1 47 . 1 . 1 5 5 PRO HD2 H 1 3.612 0.020 . 1 . . . . A 9 PRO HD2 . 34433 1 48 . 1 . 1 5 5 PRO HD3 H 1 3.902 0.020 . 1 . . . . A 9 PRO HD3 . 34433 1 49 . 1 . 1 5 5 PRO CA C 13 64.234 0.400 . 1 . . . . A 9 PRO CA . 34433 1 50 . 1 . 1 5 5 PRO CB C 13 31.990 0.400 . 1 . . . . A 9 PRO CB . 34433 1 51 . 1 . 1 5 5 PRO CG C 13 27.741 0.400 . 1 . . . . A 9 PRO CG . 34433 1 52 . 1 . 1 5 5 PRO CD C 13 50.523 0.400 . 1 . . . . A 9 PRO CD . 34433 1 53 . 1 . 1 6 6 GLY H H 1 8.784 0.020 . 1 . . . . A 10 GLY H . 34433 1 54 . 1 . 1 6 6 GLY HA2 H 1 3.203 0.020 . 1 . . . . A 10 GLY HA2 . 34433 1 55 . 1 . 1 6 6 GLY HA3 H 1 4.022 0.020 . 1 . . . . A 10 GLY HA3 . 34433 1 56 . 1 . 1 6 6 GLY CA C 13 44.980 0.400 . 1 . . . . A 10 GLY CA . 34433 1 57 . 1 . 1 6 6 GLY N N 15 111.818 0.400 . 1 . . . . A 10 GLY N . 34433 1 58 . 1 . 1 7 7 TRP H H 1 7.344 0.020 . 1 . . . . A 11 TRP H . 34433 1 59 . 1 . 1 7 7 TRP HA H 1 5.173 0.020 . 1 . . . . A 11 TRP HA . 34433 1 60 . 1 . 1 7 7 TRP HB2 H 1 3.217 0.020 . 1 . . . . A 11 TRP HB2 . 34433 1 61 . 1 . 1 7 7 TRP HB3 H 1 2.933 0.020 . 1 . . . . A 11 TRP HB3 . 34433 1 62 . 1 . 1 7 7 TRP HD1 H 1 6.941 0.020 . 1 . . . . A 11 TRP HD1 . 34433 1 63 . 1 . 1 7 7 TRP HE1 H 1 10.691 0.020 . 1 . . . . A 11 TRP HE1 . 34433 1 64 . 1 . 1 7 7 TRP HE3 H 1 7.360 0.020 . 1 . . . . A 11 TRP HE3 . 34433 1 65 . 1 . 1 7 7 TRP HZ2 H 1 7.434 0.020 . 1 . . . . A 11 TRP HZ2 . 34433 1 66 . 1 . 1 7 7 TRP HZ3 H 1 6.946 0.020 . 1 . . . . A 11 TRP HZ3 . 34433 1 67 . 1 . 1 7 7 TRP HH2 H 1 6.986 0.020 . 1 . . . . A 11 TRP HH2 . 34433 1 68 . 1 . 1 7 7 TRP CA C 13 57.320 0.400 . 1 . . . . A 11 TRP CA . 34433 1 69 . 1 . 1 7 7 TRP CB C 13 32.360 0.400 . 1 . . . . A 11 TRP CB . 34433 1 70 . 1 . 1 7 7 TRP CD1 C 13 127.902 0.400 . 1 . . . . A 11 TRP CD1 . 34433 1 71 . 1 . 1 7 7 TRP CE3 C 13 120.246 0.400 . 1 . . . . A 11 TRP CE3 . 34433 1 72 . 1 . 1 7 7 TRP CZ2 C 13 114.928 0.400 . 1 . . . . A 11 TRP CZ2 . 34433 1 73 . 1 . 1 7 7 TRP CZ3 C 13 122.817 0.400 . 1 . . . . A 11 TRP CZ3 . 34433 1 74 . 1 . 1 7 7 TRP CH2 C 13 125.143 0.400 . 1 . . . . A 11 TRP CH2 . 34433 1 75 . 1 . 1 7 7 TRP N N 15 117.742 0.400 . 1 . . . . A 11 TRP N . 34433 1 76 . 1 . 1 7 7 TRP NE1 N 15 130.102 0.400 . 1 . . . . A 11 TRP NE1 . 34433 1 77 . 1 . 1 8 8 GLU H H 1 9.741 0.020 . 1 . . . . A 12 GLU H . 34433 1 78 . 1 . 1 8 8 GLU HA H 1 4.835 0.020 . 1 . . . . A 12 GLU HA . 34433 1 79 . 1 . 1 8 8 GLU HB2 H 1 2.206 0.020 . 2 . . . . A 12 GLU HB2 . 34433 1 80 . 1 . 1 8 8 GLU HB3 H 1 2.240 0.020 . 2 . . . . A 12 GLU HB3 . 34433 1 81 . 1 . 1 8 8 GLU HG2 H 1 2.532 0.020 . 1 . . . . A 12 GLU HG2 . 34433 1 82 . 1 . 1 8 8 GLU HG3 H 1 2.298 0.020 . 1 . . . . A 12 GLU HG3 . 34433 1 83 . 1 . 1 8 8 GLU CB C 13 34.447 0.400 . 1 . . . . A 12 GLU CB . 34433 1 84 . 1 . 1 8 8 GLU CG C 13 36.285 0.400 . 1 . . . . A 12 GLU CG . 34433 1 85 . 1 . 1 8 8 GLU N N 15 120.904 0.400 . 1 . . . . A 12 GLU N . 34433 1 86 . 1 . 1 9 9 LYS H H 1 9.032 0.020 . 1 . . . . A 13 LYS H . 34433 1 87 . 1 . 1 9 9 LYS HA H 1 4.368 0.020 . 1 . . . . A 13 LYS HA . 34433 1 88 . 1 . 1 9 9 LYS HB2 H 1 1.646 0.020 . 1 . . . . A 13 LYS HB2 . 34433 1 89 . 1 . 1 9 9 LYS HB3 H 1 1.778 0.020 . 1 . . . . A 13 LYS HB3 . 34433 1 90 . 1 . 1 9 9 LYS HG2 H 1 1.080 0.020 . 2 . . . . A 13 LYS HG2 . 34433 1 91 . 1 . 1 9 9 LYS HD2 H 1 1.665 0.020 . 2 . . . . A 13 LYS HD2 . 34433 1 92 . 1 . 1 9 9 LYS HD3 H 1 1.743 0.020 . 2 . . . . A 13 LYS HD3 . 34433 1 93 . 1 . 1 9 9 LYS HE2 H 1 2.929 0.020 . 2 . . . . A 13 LYS HE2 . 34433 1 94 . 1 . 1 9 9 LYS HE3 H 1 2.933 0.020 . 2 . . . . A 13 LYS HE3 . 34433 1 95 . 1 . 1 9 9 LYS CA C 13 56.369 0.400 . 1 . . . . A 13 LYS CA . 34433 1 96 . 1 . 1 9 9 LYS CB C 13 33.858 0.400 . 1 . . . . A 13 LYS CB . 34433 1 97 . 1 . 1 9 9 LYS CG C 13 25.110 0.400 . 1 . . . . A 13 LYS CG . 34433 1 98 . 1 . 1 9 9 LYS CD C 13 29.809 0.400 . 1 . . . . A 13 LYS CD . 34433 1 99 . 1 . 1 9 9 LYS CE C 13 41.966 0.400 . 1 . . . . A 13 LYS CE . 34433 1 100 . 1 . 1 9 9 LYS N N 15 125.952 0.400 . 1 . . . . A 13 LYS N . 34433 1 101 . 1 . 1 10 10 ARG H H 1 8.936 0.020 . 1 . . . . A 14 ARG H . 34433 1 102 . 1 . 1 10 10 ARG HA H 1 4.371 0.020 . 1 . . . . A 14 ARG HA . 34433 1 103 . 1 . 1 10 10 ARG HB2 H 1 -0.046 0.020 . 1 . . . . A 14 ARG HB2 . 34433 1 104 . 1 . 1 10 10 ARG HB3 H 1 1.264 0.020 . 1 . . . . A 14 ARG HB3 . 34433 1 105 . 1 . 1 10 10 ARG HG2 H 1 1.318 0.020 . 1 . . . . A 14 ARG HG2 . 34433 1 106 . 1 . 1 10 10 ARG HG3 H 1 1.154 0.020 . 1 . . . . A 14 ARG HG3 . 34433 1 107 . 1 . 1 10 10 ARG HD2 H 1 2.877 0.020 . 2 . . . . A 14 ARG HD2 . 34433 1 108 . 1 . 1 10 10 ARG HD3 H 1 2.877 0.020 . 2 . . . . A 14 ARG HD3 . 34433 1 109 . 1 . 1 10 10 ARG HE H 1 6.834 0.020 . 1 . . . . A 14 ARG HE . 34433 1 110 . 1 . 1 10 10 ARG HH21 H 1 6.711 0.020 . 2 . . . . A 14 ARG HH21 . 34433 1 111 . 1 . 1 10 10 ARG HH22 H 1 6.537 0.020 . 2 . . . . A 14 ARG HH22 . 34433 1 112 . 1 . 1 10 10 ARG CA C 13 54.018 0.400 . 1 . . . . A 14 ARG CA . 34433 1 113 . 1 . 1 10 10 ARG CB C 13 33.856 0.400 . 1 . . . . A 14 ARG CB . 34433 1 114 . 1 . 1 10 10 ARG CG C 13 27.985 0.400 . 1 . . . . A 14 ARG CG . 34433 1 115 . 1 . 1 10 10 ARG CD C 13 42.985 0.400 . 1 . . . . A 14 ARG CD . 34433 1 116 . 1 . 1 10 10 ARG N N 15 127.937 0.400 . 1 . . . . A 14 ARG N . 34433 1 117 . 1 . 1 11 11 MET H H 1 8.172 0.020 . 1 . . . . A 15 MET H . 34433 1 118 . 1 . 1 11 11 MET HA H 1 4.964 0.020 . 1 . . . . A 15 MET HA . 34433 1 119 . 1 . 1 11 11 MET HB2 H 1 1.754 0.020 . 2 . . . . A 15 MET HB2 . 34433 1 120 . 1 . 1 11 11 MET HB3 H 1 1.754 0.020 . 2 . . . . A 15 MET HB3 . 34433 1 121 . 1 . 1 11 11 MET HG2 H 1 2.399 0.020 . 2 . . . . A 15 MET HG2 . 34433 1 122 . 1 . 1 11 11 MET HG3 H 1 2.291 0.020 . 2 . . . . A 15 MET HG3 . 34433 1 123 . 1 . 1 11 11 MET HE1 H 1 1.994 0.020 . 1 . . . . A 15 MET HE1 . 34433 1 124 . 1 . 1 11 11 MET HE2 H 1 1.994 0.020 . 1 . . . . A 15 MET HE2 . 34433 1 125 . 1 . 1 11 11 MET HE3 H 1 1.994 0.020 . 1 . . . . A 15 MET HE3 . 34433 1 126 . 1 . 1 11 11 MET CB C 13 35.062 0.400 . 1 . . . . A 15 MET CB . 34433 1 127 . 1 . 1 11 11 MET CG C 13 31.876 0.400 . 1 . . . . A 15 MET CG . 34433 1 128 . 1 . 1 11 11 MET CE C 13 16.738 0.400 . 1 . . . . A 15 MET CE . 34433 1 129 . 1 . 1 11 11 MET N N 15 117.037 0.400 . 1 . . . . A 15 MET N . 34433 1 130 . 1 . 1 12 12 SER H H 1 9.282 0.020 . 1 . . . . A 16 SER H . 34433 1 131 . 1 . 1 12 12 SER HB2 H 1 4.127 0.020 . 1 . . . . A 16 SER HB2 . 34433 1 132 . 1 . 1 12 12 SER HB3 H 1 4.243 0.020 . 1 . . . . A 16 SER HB3 . 34433 1 133 . 1 . 1 12 12 SER CB C 13 63.801 0.400 . 1 . . . . A 16 SER CB . 34433 1 134 . 1 . 1 12 12 SER N N 15 120.568 0.400 . 1 . . . . A 16 SER N . 34433 1 135 . 1 . 1 13 13 ARG HA H 1 4.032 0.020 . 1 . . . . A 17 ARG HA . 34433 1 136 . 1 . 1 13 13 ARG HB2 H 1 1.845 0.020 . 2 . . . . A 17 ARG HB2 . 34433 1 137 . 1 . 1 13 13 ARG HB3 H 1 1.933 0.020 . 2 . . . . A 17 ARG HB3 . 34433 1 138 . 1 . 1 13 13 ARG HD2 H 1 3.249 0.020 . 2 . . . . A 17 ARG HD2 . 34433 1 139 . 1 . 1 13 13 ARG HD3 H 1 3.114 0.020 . 2 . . . . A 17 ARG HD3 . 34433 1 140 . 1 . 1 13 13 ARG HE H 1 6.734 0.020 . 1 . . . . A 17 ARG HE . 34433 1 141 . 1 . 1 13 13 ARG CA C 13 58.204 0.400 . 1 . . . . A 17 ARG CA . 34433 1 142 . 1 . 1 13 13 ARG CB C 13 30.643 0.400 . 1 . . . . A 17 ARG CB . 34433 1 143 . 1 . 1 13 13 ARG CD C 13 43.230 0.400 . 1 . . . . A 17 ARG CD . 34433 1 144 . 1 . 1 14 14 ASN H H 1 8.358 0.020 . 1 . . . . A 18 ASN H . 34433 1 145 . 1 . 1 14 14 ASN HA H 1 4.657 0.020 . 1 . . . . A 18 ASN HA . 34433 1 146 . 1 . 1 14 14 ASN HD21 H 1 8.470 0.020 . 2 . . . . A 18 ASN HD21 . 34433 1 147 . 1 . 1 14 14 ASN HD22 H 1 7.149 0.020 . 2 . . . . A 18 ASN HD22 . 34433 1 148 . 1 . 1 14 14 ASN CA C 13 55.156 0.400 . 1 . . . . A 18 ASN CA . 34433 1 149 . 1 . 1 14 14 ASN N N 15 115.206 0.400 . 1 . . . . A 18 ASN N . 34433 1 150 . 1 . 1 14 14 ASN ND2 N 15 117.494 0.400 . 1 . . . . A 18 ASN ND2 . 34433 1 151 . 1 . 1 15 15 SER H H 1 8.263 0.020 . 1 . . . . A 19 SER H . 34433 1 152 . 1 . 1 15 15 SER HA H 1 4.652 0.020 . 1 . . . . A 19 SER HA . 34433 1 153 . 1 . 1 15 15 SER HB2 H 1 4.031 0.020 . 1 . . . . A 19 SER HB2 . 34433 1 154 . 1 . 1 15 15 SER HB3 H 1 3.817 0.020 . 1 . . . . A 19 SER HB3 . 34433 1 155 . 1 . 1 15 15 SER CA C 13 58.114 0.400 . 1 . . . . A 19 SER CA . 34433 1 156 . 1 . 1 15 15 SER CB C 13 66.111 0.400 . 1 . . . . A 19 SER CB . 34433 1 157 . 1 . 1 15 15 SER N N 15 111.446 0.400 . 1 . . . . A 19 SER N . 34433 1 158 . 1 . 1 16 16 GLY H H 1 7.793 0.020 . 1 . . . . A 20 GLY H . 34433 1 159 . 1 . 1 16 16 GLY HA2 H 1 4.144 0.020 . 2 . . . . A 20 GLY HA2 . 34433 1 160 . 1 . 1 16 16 GLY HA3 H 1 3.885 0.020 . 2 . . . . A 20 GLY HA3 . 34433 1 161 . 1 . 1 16 16 GLY CA C 13 46.086 0.400 . 1 . . . . A 20 GLY CA . 34433 1 162 . 1 . 1 16 16 GLY N N 15 111.797 0.400 . 1 . . . . A 20 GLY N . 34433 1 163 . 1 . 1 17 17 ARG H H 1 7.848 0.020 . 1 . . . . A 21 ARG H . 34433 1 164 . 1 . 1 17 17 ARG HA H 1 4.273 0.020 . 1 . . . . A 21 ARG HA . 34433 1 165 . 1 . 1 17 17 ARG HB2 H 1 1.712 0.020 . 1 . . . . A 21 ARG HB2 . 34433 1 166 . 1 . 1 17 17 ARG HB3 H 1 1.898 0.020 . 1 . . . . A 21 ARG HB3 . 34433 1 167 . 1 . 1 17 17 ARG HG2 H 1 1.771 0.020 . 2 . . . . A 21 ARG HG2 . 34433 1 168 . 1 . 1 17 17 ARG HG3 H 1 1.719 0.020 . 2 . . . . A 21 ARG HG3 . 34433 1 169 . 1 . 1 17 17 ARG HD2 H 1 2.946 0.020 . 1 . . . . A 21 ARG HD2 . 34433 1 170 . 1 . 1 17 17 ARG HD3 H 1 2.715 0.020 . 1 . . . . A 21 ARG HD3 . 34433 1 171 . 1 . 1 17 17 ARG HH21 H 1 6.342 0.020 . 1 . . . . A 21 ARG HH21 . 34433 1 172 . 1 . 1 17 17 ARG HH22 H 1 6.124 0.020 . 1 . . . . A 21 ARG HH22 . 34433 1 173 . 1 . 1 17 17 ARG CA C 13 56.877 0.400 . 1 . . . . A 21 ARG CA . 34433 1 174 . 1 . 1 17 17 ARG CB C 13 32.026 0.400 . 1 . . . . A 21 ARG CB . 34433 1 175 . 1 . 1 17 17 ARG CG C 13 26.944 0.400 . 1 . . . . A 21 ARG CG . 34433 1 176 . 1 . 1 17 17 ARG CD C 13 43.605 0.400 . 1 . . . . A 21 ARG CD . 34433 1 177 . 1 . 1 17 17 ARG N N 15 120.073 0.400 . 1 . . . . A 21 ARG N . 34433 1 178 . 1 . 1 17 17 ARG NH2 N 15 69.436 0.400 . 1 . . . . A 21 ARG NH2 . 34433 1 179 . 1 . 1 18 18 VAL H H 1 8.581 0.020 . 1 . . . . A 22 VAL H . 34433 1 180 . 1 . 1 18 18 VAL HA H 1 4.530 0.020 . 1 . . . . A 22 VAL HA . 34433 1 181 . 1 . 1 18 18 VAL HB H 1 1.928 0.020 . 1 . . . . A 22 VAL HB . 34433 1 182 . 1 . 1 18 18 VAL HG11 H 1 0.751 0.020 . 2 . . . . A 22 VAL HG11 . 34433 1 183 . 1 . 1 18 18 VAL HG12 H 1 0.751 0.020 . 2 . . . . A 22 VAL HG12 . 34433 1 184 . 1 . 1 18 18 VAL HG13 H 1 0.751 0.020 . 2 . . . . A 22 VAL HG13 . 34433 1 185 . 1 . 1 18 18 VAL HG21 H 1 1.048 0.020 . 2 . . . . A 22 VAL HG21 . 34433 1 186 . 1 . 1 18 18 VAL HG22 H 1 1.048 0.020 . 2 . . . . A 22 VAL HG22 . 34433 1 187 . 1 . 1 18 18 VAL HG23 H 1 1.048 0.020 . 2 . . . . A 22 VAL HG23 . 34433 1 188 . 1 . 1 18 18 VAL CA C 13 62.583 0.400 . 1 . . . . A 22 VAL CA . 34433 1 189 . 1 . 1 18 18 VAL CB C 13 32.813 0.400 . 1 . . . . A 22 VAL CB . 34433 1 190 . 1 . 1 18 18 VAL CG1 C 13 22.610 0.400 . 2 . . . . A 22 VAL CG1 . 34433 1 191 . 1 . 1 18 18 VAL CG2 C 13 21.523 0.400 . 2 . . . . A 22 VAL CG2 . 34433 1 192 . 1 . 1 18 18 VAL N N 15 125.797 0.400 . 1 . . . . A 22 VAL N . 34433 1 193 . 1 . 1 19 19 TYR H H 1 8.643 0.020 . 1 . . . . A 23 TYR H . 34433 1 194 . 1 . 1 19 19 TYR HA H 1 4.808 0.020 . 1 . . . . A 23 TYR HA . 34433 1 195 . 1 . 1 19 19 TYR HB2 H 1 2.447 0.020 . 1 . . . . A 23 TYR HB2 . 34433 1 196 . 1 . 1 19 19 TYR HB3 H 1 2.806 0.020 . 1 . . . . A 23 TYR HB3 . 34433 1 197 . 1 . 1 19 19 TYR HD1 H 1 6.867 0.020 . 1 . . . . A 23 TYR HD1 . 34433 1 198 . 1 . 1 19 19 TYR HD2 H 1 6.867 0.020 . 1 . . . . A 23 TYR HD2 . 34433 1 199 . 1 . 1 19 19 TYR HE1 H 1 6.374 0.020 . 1 . . . . A 23 TYR HE1 . 34433 1 200 . 1 . 1 19 19 TYR HE2 H 1 6.374 0.020 . 1 . . . . A 23 TYR HE2 . 34433 1 201 . 1 . 1 19 19 TYR CA C 13 55.791 0.400 . 1 . . . . A 23 TYR CA . 34433 1 202 . 1 . 1 19 19 TYR CB C 13 40.324 0.400 . 1 . . . . A 23 TYR CB . 34433 1 203 . 1 . 1 19 19 TYR CD1 C 13 133.643 0.400 . 3 . . . . A 23 TYR CD1 . 34433 1 204 . 1 . 1 19 19 TYR CE1 C 13 118.078 0.400 . 3 . . . . A 23 TYR CE1 . 34433 1 205 . 1 . 1 19 19 TYR N N 15 122.653 0.400 . 1 . . . . A 23 TYR N . 34433 1 206 . 1 . 1 20 20 TYR H H 1 9.174 0.020 . 1 . . . . A 24 TYR H . 34433 1 207 . 1 . 1 20 20 TYR HA H 1 5.359 0.020 . 1 . . . . A 24 TYR HA . 34433 1 208 . 1 . 1 20 20 TYR HB2 H 1 2.658 0.020 . 1 . . . . A 24 TYR HB2 . 34433 1 209 . 1 . 1 20 20 TYR HB3 H 1 2.958 0.020 . 1 . . . . A 24 TYR HB3 . 34433 1 210 . 1 . 1 20 20 TYR HD1 H 1 6.840 0.020 . 1 . . . . A 24 TYR HD1 . 34433 1 211 . 1 . 1 20 20 TYR HD2 H 1 6.840 0.020 . 1 . . . . A 24 TYR HD2 . 34433 1 212 . 1 . 1 20 20 TYR HE1 H 1 6.741 0.020 . 1 . . . . A 24 TYR HE1 . 34433 1 213 . 1 . 1 20 20 TYR HE2 H 1 6.741 0.020 . 1 . . . . A 24 TYR HE2 . 34433 1 214 . 1 . 1 20 20 TYR CA C 13 57.006 0.400 . 1 . . . . A 24 TYR CA . 34433 1 215 . 1 . 1 20 20 TYR CB C 13 41.634 0.400 . 1 . . . . A 24 TYR CB . 34433 1 216 . 1 . 1 20 20 TYR CD1 C 13 133.801 0.400 . 3 . . . . A 24 TYR CD1 . 34433 1 217 . 1 . 1 20 20 TYR CE1 C 13 117.097 0.400 . 3 . . . . A 24 TYR CE1 . 34433 1 218 . 1 . 1 20 20 TYR N N 15 116.874 0.400 . 1 . . . . A 24 TYR N . 34433 1 219 . 1 . 1 21 21 PHE H H 1 9.414 0.020 . 1 . . . . A 25 PHE H . 34433 1 220 . 1 . 1 21 21 PHE HA H 1 5.701 0.020 . 1 . . . . A 25 PHE HA . 34433 1 221 . 1 . 1 21 21 PHE HB2 H 1 3.013 0.020 . 1 . . . . A 25 PHE HB2 . 34433 1 222 . 1 . 1 21 21 PHE HB3 H 1 2.539 0.020 . 1 . . . . A 25 PHE HB3 . 34433 1 223 . 1 . 1 21 21 PHE HD1 H 1 6.949 0.020 . 1 . . . . A 25 PHE HD1 . 34433 1 224 . 1 . 1 21 21 PHE HD2 H 1 6.949 0.020 . 1 . . . . A 25 PHE HD2 . 34433 1 225 . 1 . 1 21 21 PHE HE1 H 1 7.022 0.020 . 1 . . . . A 25 PHE HE1 . 34433 1 226 . 1 . 1 21 21 PHE HE2 H 1 7.022 0.020 . 1 . . . . A 25 PHE HE2 . 34433 1 227 . 1 . 1 21 21 PHE CA C 13 55.546 0.400 . 1 . . . . A 25 PHE CA . 34433 1 228 . 1 . 1 21 21 PHE CB C 13 44.536 0.400 . 1 . . . . A 25 PHE CB . 34433 1 229 . 1 . 1 21 21 PHE CD1 C 13 131.557 0.400 . 3 . . . . A 25 PHE CD1 . 34433 1 230 . 1 . 1 21 21 PHE CE1 C 13 130.969 0.400 . 3 . . . . A 25 PHE CE1 . 34433 1 231 . 1 . 1 21 21 PHE N N 15 124.323 0.400 . 1 . . . . A 25 PHE N . 34433 1 232 . 1 . 1 22 22 ASN H H 1 8.362 0.020 . 1 . . . . A 26 ASN H . 34433 1 233 . 1 . 1 22 22 ASN HA H 1 4.288 0.020 . 1 . . . . A 26 ASN HA . 34433 1 234 . 1 . 1 22 22 ASN HB2 H 1 -0.765 0.020 . 1 . . . . A 26 ASN HB2 . 34433 1 235 . 1 . 1 22 22 ASN HB3 H 1 1.994 0.020 . 1 . . . . A 26 ASN HB3 . 34433 1 236 . 1 . 1 22 22 ASN HD21 H 1 4.209 0.020 . 1 . . . . A 26 ASN HD21 . 34433 1 237 . 1 . 1 22 22 ASN HD22 H 1 6.644 0.020 . 1 . . . . A 26 ASN HD22 . 34433 1 238 . 1 . 1 22 22 ASN CA C 13 50.558 0.400 . 1 . . . . A 26 ASN CA . 34433 1 239 . 1 . 1 22 22 ASN CB C 13 37.768 0.400 . 1 . . . . A 26 ASN CB . 34433 1 240 . 1 . 1 22 22 ASN N N 15 129.552 0.400 . 1 . . . . A 26 ASN N . 34433 1 241 . 1 . 1 22 22 ASN ND2 N 15 110.041 0.400 . 1 . . . . A 26 ASN ND2 . 34433 1 242 . 1 . 1 23 23 HIS H H 1 8.103 0.020 . 1 . . . . A 27 HIS H . 34433 1 243 . 1 . 1 23 23 HIS HA H 1 4.029 0.020 . 1 . . . . A 27 HIS HA . 34433 1 244 . 1 . 1 23 23 HIS HB2 H 1 3.115 0.020 . 2 . . . . A 27 HIS HB2 . 34433 1 245 . 1 . 1 23 23 HIS HB3 H 1 3.367 0.020 . 2 . . . . A 27 HIS HB3 . 34433 1 246 . 1 . 1 23 23 HIS HD2 H 1 7.165 0.020 . 1 . . . . A 27 HIS HD2 . 34433 1 247 . 1 . 1 23 23 HIS CA C 13 57.151 0.400 . 1 . . . . A 27 HIS CA . 34433 1 248 . 1 . 1 23 23 HIS CB C 13 28.483 0.400 . 1 . . . . A 27 HIS CB . 34433 1 249 . 1 . 1 23 23 HIS CD2 C 13 120.257 0.400 . 1 . . . . A 27 HIS CD2 . 34433 1 250 . 1 . 1 23 23 HIS N N 15 119.991 0.400 . 1 . . . . A 27 HIS N . 34433 1 251 . 1 . 1 24 24 ILE H H 1 8.391 0.020 . 1 . . . . A 28 ILE H . 34433 1 252 . 1 . 1 24 24 ILE HA H 1 3.795 0.020 . 1 . . . . A 28 ILE HA . 34433 1 253 . 1 . 1 24 24 ILE HB H 1 1.963 0.020 . 1 . . . . A 28 ILE HB . 34433 1 254 . 1 . 1 24 24 ILE HG12 H 1 0.903 0.020 . 1 . . . . A 28 ILE HG12 . 34433 1 255 . 1 . 1 24 24 ILE HG13 H 1 1.195 0.020 . 1 . . . . A 28 ILE HG13 . 34433 1 256 . 1 . 1 24 24 ILE HG21 H 1 0.732 0.020 . 1 . . . . A 28 ILE HG21 . 34433 1 257 . 1 . 1 24 24 ILE HG22 H 1 0.732 0.020 . 1 . . . . A 28 ILE HG22 . 34433 1 258 . 1 . 1 24 24 ILE HG23 H 1 0.732 0.020 . 1 . . . . A 28 ILE HG23 . 34433 1 259 . 1 . 1 24 24 ILE HD11 H 1 0.687 0.020 . 1 . . . . A 28 ILE HD11 . 34433 1 260 . 1 . 1 24 24 ILE HD12 H 1 0.687 0.020 . 1 . . . . A 28 ILE HD12 . 34433 1 261 . 1 . 1 24 24 ILE HD13 H 1 0.687 0.020 . 1 . . . . A 28 ILE HD13 . 34433 1 262 . 1 . 1 24 24 ILE CA C 13 63.395 0.400 . 1 . . . . A 28 ILE CA . 34433 1 263 . 1 . 1 24 24 ILE CB C 13 37.161 0.400 . 1 . . . . A 28 ILE CB . 34433 1 264 . 1 . 1 24 24 ILE CG1 C 13 27.859 0.400 . 1 . . . . A 28 ILE CG1 . 34433 1 265 . 1 . 1 24 24 ILE CG2 C 13 16.916 0.400 . 1 . . . . A 28 ILE CG2 . 34433 1 266 . 1 . 1 24 24 ILE CD1 C 13 12.150 0.400 . 1 . . . . A 28 ILE CD1 . 34433 1 267 . 1 . 1 24 24 ILE N N 15 122.053 0.400 . 1 . . . . A 28 ILE N . 34433 1 268 . 1 . 1 25 25 THR H H 1 7.281 0.020 . 1 . . . . A 29 THR H . 34433 1 269 . 1 . 1 25 25 THR HA H 1 4.050 0.020 . 1 . . . . A 29 THR HA . 34433 1 270 . 1 . 1 25 25 THR HB H 1 4.206 0.020 . 1 . . . . A 29 THR HB . 34433 1 271 . 1 . 1 25 25 THR HG1 H 1 5.100 0.020 . 1 . . . . A 29 THR HG1 . 34433 1 272 . 1 . 1 25 25 THR HG21 H 1 0.904 0.020 . 1 . . . . A 29 THR HG21 . 34433 1 273 . 1 . 1 25 25 THR HG22 H 1 0.904 0.020 . 1 . . . . A 29 THR HG22 . 34433 1 274 . 1 . 1 25 25 THR HG23 H 1 0.904 0.020 . 1 . . . . A 29 THR HG23 . 34433 1 275 . 1 . 1 25 25 THR CA C 13 61.300 0.400 . 1 . . . . A 29 THR CA . 34433 1 276 . 1 . 1 25 25 THR CB C 13 70.000 0.400 . 1 . . . . A 29 THR CB . 34433 1 277 . 1 . 1 25 25 THR CG2 C 13 21.117 0.400 . 1 . . . . A 29 THR CG2 . 34433 1 278 . 1 . 1 25 25 THR N N 15 108.033 0.400 . 1 . . . . A 29 THR N . 34433 1 279 . 1 . 1 26 26 ASN H H 1 7.992 0.020 . 1 . . . . A 30 ASN H . 34433 1 280 . 1 . 1 26 26 ASN HA H 1 4.183 0.020 . 1 . . . . A 30 ASN HA . 34433 1 281 . 1 . 1 26 26 ASN HB2 H 1 3.099 0.020 . 1 . . . . A 30 ASN HB2 . 34433 1 282 . 1 . 1 26 26 ASN HB3 H 1 2.881 0.020 . 1 . . . . A 30 ASN HB3 . 34433 1 283 . 1 . 1 26 26 ASN HD21 H 1 7.491 0.020 . 1 . . . . A 30 ASN HD21 . 34433 1 284 . 1 . 1 26 26 ASN HD22 H 1 6.844 0.020 . 1 . . . . A 30 ASN HD22 . 34433 1 285 . 1 . 1 26 26 ASN CA C 13 55.083 0.400 . 1 . . . . A 30 ASN CA . 34433 1 286 . 1 . 1 26 26 ASN CB C 13 37.513 0.400 . 1 . . . . A 30 ASN CB . 34433 1 287 . 1 . 1 26 26 ASN N N 15 118.131 0.400 . 1 . . . . A 30 ASN N . 34433 1 288 . 1 . 1 26 26 ASN ND2 N 15 113.145 0.400 . 1 . . . . A 30 ASN ND2 . 34433 1 289 . 1 . 1 27 27 ALA H H 1 7.157 0.020 . 1 . . . . A 31 ALA H . 34433 1 290 . 1 . 1 27 27 ALA HA H 1 4.440 0.020 . 1 . . . . A 31 ALA HA . 34433 1 291 . 1 . 1 27 27 ALA HB1 H 1 1.236 0.020 . 1 . . . . A 31 ALA HB1 . 34433 1 292 . 1 . 1 27 27 ALA HB2 H 1 1.236 0.020 . 1 . . . . A 31 ALA HB2 . 34433 1 293 . 1 . 1 27 27 ALA HB3 H 1 1.236 0.020 . 1 . . . . A 31 ALA HB3 . 34433 1 294 . 1 . 1 27 27 ALA CA C 13 52.157 0.400 . 1 . . . . A 31 ALA CA . 34433 1 295 . 1 . 1 27 27 ALA CB C 13 20.839 0.400 . 1 . . . . A 31 ALA CB . 34433 1 296 . 1 . 1 27 27 ALA N N 15 121.777 0.400 . 1 . . . . A 31 ALA N . 34433 1 297 . 1 . 1 28 28 SER H H 1 8.446 0.020 . 1 . . . . A 32 SER H . 34433 1 298 . 1 . 1 28 28 SER HA H 1 6.094 0.020 . 1 . . . . A 32 SER HA . 34433 1 299 . 1 . 1 28 28 SER HB2 H 1 4.029 0.020 . 2 . . . . A 32 SER HB2 . 34433 1 300 . 1 . 1 28 28 SER HB3 H 1 3.902 0.020 . 2 . . . . A 32 SER HB3 . 34433 1 301 . 1 . 1 28 28 SER CA C 13 56.458 0.400 . 1 . . . . A 32 SER CA . 34433 1 302 . 1 . 1 28 28 SER CB C 13 66.982 0.400 . 1 . . . . A 32 SER CB . 34433 1 303 . 1 . 1 28 28 SER N N 15 112.455 0.400 . 1 . . . . A 32 SER N . 34433 1 304 . 1 . 1 29 29 GLN H H 1 9.449 0.020 . 1 . . . . A 33 GLN H . 34433 1 305 . 1 . 1 29 29 GLN HA H 1 4.855 0.020 . 1 . . . . A 33 GLN HA . 34433 1 306 . 1 . 1 29 29 GLN HB3 H 1 2.198 0.020 . 1 . . . . A 33 GLN HB3 . 34433 1 307 . 1 . 1 29 29 GLN HG2 H 1 2.659 0.020 . 2 . . . . A 33 GLN HG2 . 34433 1 308 . 1 . 1 29 29 GLN HG3 H 1 2.547 0.020 . 2 . . . . A 33 GLN HG3 . 34433 1 309 . 1 . 1 29 29 GLN HE21 H 1 7.555 0.020 . 2 . . . . A 33 GLN HE21 . 34433 1 310 . 1 . 1 29 29 GLN HE22 H 1 6.827 0.020 . 2 . . . . A 33 GLN HE22 . 34433 1 311 . 1 . 1 29 29 GLN CB C 13 31.445 0.400 . 1 . . . . A 33 GLN CB . 34433 1 312 . 1 . 1 29 29 GLN CG C 13 31.524 0.400 . 1 . . . . A 33 GLN CG . 34433 1 313 . 1 . 1 29 29 GLN N N 15 116.018 0.400 . 1 . . . . A 33 GLN N . 34433 1 314 . 1 . 1 29 29 GLN NE2 N 15 113.746 0.400 . 1 . . . . A 33 GLN NE2 . 34433 1 315 . 1 . 1 30 30 PHE H H 1 9.273 0.020 . 1 . . . . A 34 PHE H . 34433 1 316 . 1 . 1 30 30 PHE HA H 1 4.774 0.020 . 1 . . . . A 34 PHE HA . 34433 1 317 . 1 . 1 30 30 PHE HB2 H 1 2.897 0.020 . 2 . . . . A 34 PHE HB2 . 34433 1 318 . 1 . 1 30 30 PHE HB3 H 1 3.348 0.020 . 2 . . . . A 34 PHE HB3 . 34433 1 319 . 1 . 1 30 30 PHE HD1 H 1 7.638 0.020 . 1 . . . . A 34 PHE HD1 . 34433 1 320 . 1 . 1 30 30 PHE HD2 H 1 7.638 0.020 . 1 . . . . A 34 PHE HD2 . 34433 1 321 . 1 . 1 30 30 PHE CB C 13 39.851 0.400 . 1 . . . . A 34 PHE CB . 34433 1 322 . 1 . 1 30 30 PHE CD1 C 13 132.027 0.400 . 3 . . . . A 34 PHE CD1 . 34433 1 323 . 1 . 1 30 30 PHE N N 15 120.918 0.400 . 1 . . . . A 34 PHE N . 34433 1 324 . 1 . 1 31 31 GLU H H 1 8.393 0.020 . 1 . . . . A 35 GLU H . 34433 1 325 . 1 . 1 31 31 GLU HA H 1 4.188 0.020 . 1 . . . . A 35 GLU HA . 34433 1 326 . 1 . 1 31 31 GLU HB2 H 1 1.913 0.020 . 1 . . . . A 35 GLU HB2 . 34433 1 327 . 1 . 1 31 31 GLU HB3 H 1 1.759 0.020 . 1 . . . . A 35 GLU HB3 . 34433 1 328 . 1 . 1 31 31 GLU HG2 H 1 2.263 0.020 . 2 . . . . A 35 GLU HG2 . 34433 1 329 . 1 . 1 31 31 GLU HG3 H 1 2.222 0.020 . 2 . . . . A 35 GLU HG3 . 34433 1 330 . 1 . 1 31 31 GLU CA C 13 56.642 0.400 . 1 . . . . A 35 GLU CA . 34433 1 331 . 1 . 1 31 31 GLU CB C 13 29.596 0.400 . 1 . . . . A 35 GLU CB . 34433 1 332 . 1 . 1 31 31 GLU CG C 13 36.306 0.400 . 1 . . . . A 35 GLU CG . 34433 1 333 . 1 . 1 31 31 GLU N N 15 119.219 0.400 . 1 . . . . A 35 GLU N . 34433 1 334 . 1 . 1 32 32 ARG H H 1 8.640 0.020 . 1 . . . . A 36 ARG H . 34433 1 335 . 1 . 1 32 32 ARG HA H 1 2.854 0.020 . 1 . . . . A 36 ARG HA . 34433 1 336 . 1 . 1 32 32 ARG HB2 H 1 1.382 0.020 . 2 . . . . A 36 ARG HB2 . 34433 1 337 . 1 . 1 32 32 ARG HB3 H 1 1.343 0.020 . 2 . . . . A 36 ARG HB3 . 34433 1 338 . 1 . 1 32 32 ARG HG2 H 1 1.125 0.020 . 2 . . . . A 36 ARG HG2 . 34433 1 339 . 1 . 1 32 32 ARG HG3 H 1 0.785 0.020 . 2 . . . . A 36 ARG HG3 . 34433 1 340 . 1 . 1 32 32 ARG HD2 H 1 2.968 0.020 . 2 . . . . A 36 ARG HD2 . 34433 1 341 . 1 . 1 32 32 ARG HD3 H 1 2.968 0.020 . 2 . . . . A 36 ARG HD3 . 34433 1 342 . 1 . 1 32 32 ARG CA C 13 54.245 0.400 . 1 . . . . A 36 ARG CA . 34433 1 343 . 1 . 1 32 32 ARG CB C 13 29.782 0.400 . 1 . . . . A 36 ARG CB . 34433 1 344 . 1 . 1 32 32 ARG CG C 13 27.076 0.400 . 1 . . . . A 36 ARG CG . 34433 1 345 . 1 . 1 32 32 ARG CD C 13 43.447 0.400 . 1 . . . . A 36 ARG CD . 34433 1 346 . 1 . 1 32 32 ARG N N 15 126.910 0.400 . 1 . . . . A 36 ARG N . 34433 1 347 . 1 . 1 33 33 PRO HA H 1 3.852 0.020 . 1 . . . . A 37 PRO HA . 34433 1 348 . 1 . 1 33 33 PRO HB2 H 1 0.788 0.020 . 1 . . . . A 37 PRO HB2 . 34433 1 349 . 1 . 1 33 33 PRO HB3 H 1 0.713 0.020 . 1 . . . . A 37 PRO HB3 . 34433 1 350 . 1 . 1 33 33 PRO HG2 H 1 0.429 0.020 . 1 . . . . A 37 PRO HG2 . 34433 1 351 . 1 . 1 33 33 PRO HG3 H 1 -0.197 0.020 . 1 . . . . A 37 PRO HG3 . 34433 1 352 . 1 . 1 33 33 PRO HD2 H 1 2.137 0.020 . 1 . . . . A 37 PRO HD2 . 34433 1 353 . 1 . 1 33 33 PRO HD3 H 1 2.499 0.020 . 1 . . . . A 37 PRO HD3 . 34433 1 354 . 1 . 1 33 33 PRO CA C 13 61.986 0.400 . 1 . . . . A 37 PRO CA . 34433 1 355 . 1 . 1 33 33 PRO CB C 13 31.369 0.400 . 1 . . . . A 37 PRO CB . 34433 1 356 . 1 . 1 33 33 PRO CG C 13 25.576 0.400 . 1 . . . . A 37 PRO CG . 34433 1 357 . 1 . 1 33 33 PRO CD C 13 49.884 0.400 . 1 . . . . A 37 PRO CD . 34433 1 358 . 1 . 1 34 34 SER H H 1 8.255 0.020 . 1 . . . . A 38 SER H . 34433 1 359 . 1 . 1 34 34 SER HA H 1 4.253 0.020 . 1 . . . . A 38 SER HA . 34433 1 360 . 1 . 1 34 34 SER HB2 H 1 3.755 0.020 . 2 . . . . A 38 SER HB2 . 34433 1 361 . 1 . 1 34 34 SER HB3 H 1 3.676 0.020 . 2 . . . . A 38 SER HB3 . 34433 1 362 . 1 . 1 34 34 SER CA C 13 57.803 0.400 . 1 . . . . A 38 SER CA . 34433 1 363 . 1 . 1 34 34 SER CB C 13 64.432 0.400 . 1 . . . . A 38 SER CB . 34433 1 364 . 1 . 1 34 34 SER N N 15 115.824 0.400 . 1 . . . . A 38 SER N . 34433 1 365 . 1 . 1 35 35 GLY H H 1 7.974 0.020 . 1 . . . . A 39 GLY H . 34433 1 366 . 1 . 1 35 35 GLY HA2 H 1 3.733 0.020 . 2 . . . . A 39 GLY HA2 . 34433 1 367 . 1 . 1 35 35 GLY CA C 13 46.048 0.400 . 1 . . . . A 39 GLY CA . 34433 1 368 . 1 . 1 35 35 GLY N N 15 116.812 0.400 . 1 . . . . A 39 GLY N . 34433 1 stop_ save_