data_34354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34354 _Entry.Title ; Truncated Evasin-3 (tEv3 17-56) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-24 _Entry.Accession_date 2019-01-24 _Entry.Last_release_date 2019-09-26 _Entry.Original_release_date 2019-09-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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' 34354 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 S. Denisov S. S. . . 34354 2 J. Ippel J. H. . . 34354 3 A. Heinzman A. C.A. . . 34354 4 R. Koenen R. R. . . 34354 5 A. Ortega-Gomez A. . . . 34354 6 O. Soehnlein O. . . . 34354 7 T. Hackeng T. M. . . 34354 8 I. Dijkgraaf I. . . . 34354 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 34354 'chemokine-binding protein' . 34354 ticks . 34354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 122 34354 '15N chemical shifts' 44 34354 '1H chemical shifts' 257 34354 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 . . 2019-10-03 . original BMRB . 34354 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6QJB . 34354 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34354 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA119.008902 _Citation.PubMed_ID 31235521 _Citation.Full_citation . _Citation.Title ; Tick saliva protein Evasin-3 modulates chemotaxis by disrupting CXCL8 interactions with glycosaminoglycans and CXCR2. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 294 _Citation.Journal_issue 33 _Citation.Journal_ASTM JBCHA3 _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0071 _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 12370 _Citation.Page_last 12379 _Citation.Year 2019 _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 S. Denisov S. S. . . 34354 1 2 J. Ippel J. H. . . 34354 1 3 A. Heinzmann A. C.A. . . 34354 1 4 R. Koenen R. R. . . 34354 1 5 A. Ortega-Gomez A. . . . 34354 1 6 O. Soehnlein O. . . . 34354 1 7 T. Hackeng T. M. . . 34354 1 8 I. Dijkgraaf I. . . . 34354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34354 _Assembly.ID 1 _Assembly.Name Evasin-3 _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 . . . . . . 34354 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 21 21 SG . . . . . . . . . . . . 34354 1 2 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 23 23 SG . . . . . . . . . . . . 34354 1 3 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . . . 34354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34354 _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 ; FDVVSCNKNCTSGQNECPEG CFCGLLGQNKKGHCYKIIGN ; _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 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4314.924 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 17 PHE . 34354 1 2 18 ASP . 34354 1 3 19 VAL . 34354 1 4 20 VAL . 34354 1 5 21 SER . 34354 1 6 22 CYS . 34354 1 7 23 ASN . 34354 1 8 24 LYS . 34354 1 9 25 ASN . 34354 1 10 26 CYS . 34354 1 11 27 THR . 34354 1 12 28 SER . 34354 1 13 29 GLY . 34354 1 14 30 GLN . 34354 1 15 31 ASN . 34354 1 16 32 GLU . 34354 1 17 33 CYS . 34354 1 18 34 PRO . 34354 1 19 35 GLU . 34354 1 20 36 GLY . 34354 1 21 37 CYS . 34354 1 22 38 PHE . 34354 1 23 39 CYS . 34354 1 24 40 GLY . 34354 1 25 41 LEU . 34354 1 26 42 LEU . 34354 1 27 43 GLY . 34354 1 28 44 GLN . 34354 1 29 45 ASN . 34354 1 30 46 LYS . 34354 1 31 47 LYS . 34354 1 32 48 GLY . 34354 1 33 49 HIS . 34354 1 34 50 CYS . 34354 1 35 51 TYR . 34354 1 36 52 LYS . 34354 1 37 53 ILE . 34354 1 38 54 ILE . 34354 1 39 55 GLY . 34354 1 40 56 ASN . 34354 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 . PHE 1 1 34354 1 . ASP 2 2 34354 1 . VAL 3 3 34354 1 . VAL 4 4 34354 1 . SER 5 5 34354 1 . CYS 6 6 34354 1 . ASN 7 7 34354 1 . LYS 8 8 34354 1 . ASN 9 9 34354 1 . CYS 10 10 34354 1 . THR 11 11 34354 1 . SER 12 12 34354 1 . GLY 13 13 34354 1 . GLN 14 14 34354 1 . ASN 15 15 34354 1 . GLU 16 16 34354 1 . CYS 17 17 34354 1 . PRO 18 18 34354 1 . GLU 19 19 34354 1 . GLY 20 20 34354 1 . CYS 21 21 34354 1 . PHE 22 22 34354 1 . CYS 23 23 34354 1 . GLY 24 24 34354 1 . LEU 25 25 34354 1 . LEU 26 26 34354 1 . GLY 27 27 34354 1 . GLN 28 28 34354 1 . ASN 29 29 34354 1 . LYS 30 30 34354 1 . LYS 31 31 34354 1 . GLY 32 32 34354 1 . HIS 33 33 34354 1 . CYS 34 34 34354 1 . TYR 35 35 34354 1 . LYS 36 36 34354 1 . ILE 37 37 34354 1 . ILE 38 38 34354 1 . GLY 39 39 34354 1 . ASN 40 40 34354 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 34354 _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 . 34632 organism . 'Rhipicephalus sanguineus' 'Brown dog tick' . . Eukaryota Metazoa Rhipicephalus sanguineus . . . . . . . . . . . . . 34354 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 34354 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34354 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM EDTA, 200 mM sodium azide, 25 mM [U-2H] sodium acetate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 34354 1 2 EDTA 'natural abundance' . . . . . . 100 . . mM . . . . 34354 1 3 'sodium azide' 'natural abundance' . . . . . . 200 . . mM . . . . 34354 1 4 'sodium acetate' [U-2H] . . . . . . 25 . . mM . . . . 34354 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 34354 _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' 325 . mM 34354 1 pH 4.5 . pH 34354 1 pressure 1 . atm 34354 1 temperature 37 . K 34354 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34354 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details ; Bioinformatics. 2015 Apr 15; 31(8):1325-7. Epub 2014 Dec 12 NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy. Lee W, Tonelli M, Markley JL ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NMRFAM-SPARKY . . 34354 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34354 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34354 _Software.ID 2 _Software.Type . _Software.Name Xplor-NIH _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34354 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34354 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34354 _Software.ID 3 _Software.Type . _Software.Name NMRe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hyojung Ryu, GyuTae Lim, Bong Hyun Sung, Jinhyuk Lee' . . 34354 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34354 3 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 34354 _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 34354 _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 . . . 34354 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 34354 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34354 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34354 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34354 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34354 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34354 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34354 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 34354 _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 . . . . . 34354 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34354 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34354 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 34354 _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 '2D 1H-15N HSQC' . . . 34354 1 2 '3D HNCO' . . . 34354 1 3 '3D HNCACB' . . . 34354 1 4 '3D CBCA(CO)NH' . . . 34354 1 5 '2D 1H-13C HSQC' . . . 34354 1 6 '2D 1H-1H NOESY' . . . 34354 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE HA H 1 4.487 0.00 . . . . . . A 17 PHE HA . 34354 1 2 . 1 1 1 1 PHE HB2 H 1 3.158 0.00 . . . . . . A 17 PHE HB2 . 34354 1 3 . 1 1 1 1 PHE HB3 H 1 3.158 0.00 . . . . . . A 17 PHE HB3 . 34354 1 4 . 1 1 1 1 PHE HD1 H 1 7.160 0.00 . . . . . . A 17 PHE HD1 . 34354 1 5 . 1 1 1 1 PHE HD2 H 1 7.160 0.00 . . . . . . A 17 PHE HD2 . 34354 1 6 . 1 1 1 1 PHE HE1 H 1 7.191 0.00 . . . . . . A 17 PHE HE1 . 34354 1 7 . 1 1 1 1 PHE HE2 H 1 7.191 0.00 . . . . . . A 17 PHE HE2 . 34354 1 8 . 1 1 1 1 PHE HZ H 1 7.010 0.00 . . . . . . A 17 PHE HZ . 34354 1 9 . 1 1 1 1 PHE CA C 13 56.856 0.00 . . . . . . A 17 PHE CA . 34354 1 10 . 1 1 1 1 PHE CB C 13 39.590 0.00 . . . . . . A 17 PHE CB . 34354 1 11 . 1 1 1 1 PHE CD1 C 13 132.362 0.00 . . . . . . A 17 PHE CD1 . 34354 1 12 . 1 1 1 1 PHE CD2 C 13 132.362 0.00 . . . . . . A 17 PHE CD2 . 34354 1 13 . 1 1 1 1 PHE CE1 C 13 131.484 0.00 . . . . . . A 17 PHE CE1 . 34354 1 14 . 1 1 1 1 PHE CE2 C 13 131.484 0.00 . . . . . . A 17 PHE CE2 . 34354 1 15 . 1 1 1 1 PHE CZ C 13 130.489 0.00 . . . . . . A 17 PHE CZ . 34354 1 16 . 1 1 2 2 ASP H H 1 8.949 0.00 . . . . . . A 18 ASP H . 34354 1 17 . 1 1 2 2 ASP HA H 1 5.098 0.00 . . . . . . A 18 ASP HA . 34354 1 18 . 1 1 2 2 ASP HB2 H 1 2.684 0.00 . . . . . . A 18 ASP HB2 . 34354 1 19 . 1 1 2 2 ASP HB3 H 1 2.609 0.00 . . . . . . A 18 ASP HB3 . 34354 1 20 . 1 1 2 2 ASP CA C 13 53.189 0.00 . . . . . . A 18 ASP CA . 34354 1 21 . 1 1 2 2 ASP CB C 13 42.701 0.00 . . . . . . A 18 ASP CB . 34354 1 22 . 1 1 2 2 ASP N N 15 121.931 0.00 . . . . . . A 18 ASP N . 34354 1 23 . 1 1 3 3 VAL H H 1 8.472 0.00 . . . . . . A 19 VAL H . 34354 1 24 . 1 1 3 3 VAL HA H 1 5.075 0.00 . . . . . . A 19 VAL HA . 34354 1 25 . 1 1 3 3 VAL HB H 1 1.874 0.00 . . . . . . A 19 VAL HB . 34354 1 26 . 1 1 3 3 VAL HG11 H 1 0.773 0.00 . . . . . . A 19 VAL HG11 . 34354 1 27 . 1 1 3 3 VAL HG12 H 1 0.773 0.00 . . . . . . A 19 VAL HG12 . 34354 1 28 . 1 1 3 3 VAL HG13 H 1 0.773 0.00 . . . . . . A 19 VAL HG13 . 34354 1 29 . 1 1 3 3 VAL HG21 H 1 0.767 0.00 . . . . . . A 19 VAL HG21 . 34354 1 30 . 1 1 3 3 VAL HG22 H 1 0.767 0.00 . . . . . . A 19 VAL HG22 . 34354 1 31 . 1 1 3 3 VAL HG23 H 1 0.767 0.00 . . . . . . A 19 VAL HG23 . 34354 1 32 . 1 1 3 3 VAL CA C 13 60.666 0.00 . . . . . . A 19 VAL CA . 34354 1 33 . 1 1 3 3 VAL CB C 13 34.095 0.00 . . . . . . A 19 VAL CB . 34354 1 34 . 1 1 3 3 VAL CG1 C 13 20.943 0.00 . . . . . . A 19 VAL CG1 . 34354 1 35 . 1 1 3 3 VAL CG2 C 13 22.138 0.00 . . . . . . A 19 VAL CG2 . 34354 1 36 . 1 1 3 3 VAL N N 15 119.426 0.00 . . . . . . A 19 VAL N . 34354 1 37 . 1 1 4 4 VAL H H 1 9.009 0.00 . . . . . . A 20 VAL H . 34354 1 38 . 1 1 4 4 VAL HA H 1 4.701 0.00 . . . . . . A 20 VAL HA . 34354 1 39 . 1 1 4 4 VAL HB H 1 2.112 0.00 . . . . . . A 20 VAL HB . 34354 1 40 . 1 1 4 4 VAL HG11 H 1 0.948 0.00 . . . . . . A 20 VAL HG11 . 34354 1 41 . 1 1 4 4 VAL HG12 H 1 0.948 0.00 . . . . . . A 20 VAL HG12 . 34354 1 42 . 1 1 4 4 VAL HG13 H 1 0.948 0.00 . . . . . . A 20 VAL HG13 . 34354 1 43 . 1 1 4 4 VAL HG21 H 1 0.890 0.00 . . . . . . A 20 VAL HG21 . 34354 1 44 . 1 1 4 4 VAL HG22 H 1 0.890 0.00 . . . . . . A 20 VAL HG22 . 34354 1 45 . 1 1 4 4 VAL HG23 H 1 0.890 0.00 . . . . . . A 20 VAL HG23 . 34354 1 46 . 1 1 4 4 VAL CB C 13 35.458 0.00 . . . . . . A 20 VAL CB . 34354 1 47 . 1 1 4 4 VAL CG1 C 13 21.212 0.00 . . . . . . A 20 VAL CG1 . 34354 1 48 . 1 1 4 4 VAL CG2 C 13 20.154 0.00 . . . . . . A 20 VAL CG2 . 34354 1 49 . 1 1 4 4 VAL N N 15 120.451 0.00 . . . . . . A 20 VAL N . 34354 1 50 . 1 1 5 5 SER H H 1 8.794 0.00 . . . . . . A 21 SER H . 34354 1 51 . 1 1 5 5 SER HA H 1 4.417 0.00 . . . . . . A 21 SER HA . 34354 1 52 . 1 1 5 5 SER HB2 H 1 4.087 0.00 . . . . . . A 21 SER HB2 . 34354 1 53 . 1 1 5 5 SER HB3 H 1 3.896 0.00 . . . . . . A 21 SER HB3 . 34354 1 54 . 1 1 5 5 SER CA C 13 58.457 0.00 . . . . . . A 21 SER CA . 34354 1 55 . 1 1 5 5 SER CB C 13 64.238 0.00 . . . . . . A 21 SER CB . 34354 1 56 . 1 1 5 5 SER N N 15 116.352 0.00 . . . . . . A 21 SER N . 34354 1 57 . 1 1 6 6 CYS H H 1 8.486 0.00 . . . . . . A 22 CYS H . 34354 1 58 . 1 1 6 6 CYS HA H 1 4.785 0.00 . . . . . . A 22 CYS HA . 34354 1 59 . 1 1 6 6 CYS HB2 H 1 3.185 0.00 . . . . . . A 22 CYS HB2 . 34354 1 60 . 1 1 6 6 CYS HB3 H 1 2.818 0.00 . . . . . . A 22 CYS HB3 . 34354 1 61 . 1 1 6 6 CYS CA C 13 54.972 0.00 . . . . . . A 22 CYS CA . 34354 1 62 . 1 1 6 6 CYS CB C 13 44.578 0.00 . . . . . . A 22 CYS CB . 34354 1 63 . 1 1 6 6 CYS N N 15 122.032 0.00 . . . . . . A 22 CYS N . 34354 1 64 . 1 1 7 7 ASN H H 1 8.893 0.00 . . . . . . A 23 ASN H . 34354 1 65 . 1 1 7 7 ASN HA H 1 4.160 0.00 . . . . . . A 23 ASN HA . 34354 1 66 . 1 1 7 7 ASN HB2 H 1 2.952 0.00 . . . . . . A 23 ASN HB2 . 34354 1 67 . 1 1 7 7 ASN HB3 H 1 2.680 0.00 . . . . . . A 23 ASN HB3 . 34354 1 68 . 1 1 7 7 ASN HD21 H 1 7.488 0.00 . . . . . . A 23 ASN HD21 . 34354 1 69 . 1 1 7 7 ASN HD22 H 1 6.772 0.00 . . . . . . A 23 ASN HD22 . 34354 1 70 . 1 1 7 7 ASN CA C 13 54.072 0.00 . . . . . . A 23 ASN CA . 34354 1 71 . 1 1 7 7 ASN CB C 13 36.928 0.00 . . . . . . A 23 ASN CB . 34354 1 72 . 1 1 7 7 ASN N N 15 116.464 0.00 . . . . . . A 23 ASN N . 34354 1 73 . 1 1 7 7 ASN ND2 N 15 112.998 0.01 . . . . . . A 23 ASN ND2 . 34354 1 74 . 1 1 8 8 LYS H H 1 7.463 0.00 . . . . . . A 24 LYS H . 34354 1 75 . 1 1 8 8 LYS HA H 1 4.397 0.00 . . . . . . A 24 LYS HA . 34354 1 76 . 1 1 8 8 LYS HB2 H 1 1.601 0.00 . . . . . . A 24 LYS HB2 . 34354 1 77 . 1 1 8 8 LYS HB3 H 1 1.431 0.00 . . . . . . A 24 LYS HB3 . 34354 1 78 . 1 1 8 8 LYS HG2 H 1 1.694 0.00 . . . . . . A 24 LYS HG2 . 34354 1 79 . 1 1 8 8 LYS HG3 H 1 1.547 0.00 . . . . . . A 24 LYS HG3 . 34354 1 80 . 1 1 8 8 LYS HD2 H 1 1.767 0.00 . . . . . . A 24 LYS HD2 . 34354 1 81 . 1 1 8 8 LYS HD3 H 1 1.767 0.00 . . . . . . A 24 LYS HD3 . 34354 1 82 . 1 1 8 8 LYS HE2 H 1 3.068 0.00 . . . . . . A 24 LYS HE2 . 34354 1 83 . 1 1 8 8 LYS HE3 H 1 3.068 0.00 . . . . . . A 24 LYS HE3 . 34354 1 84 . 1 1 8 8 LYS CA C 13 56.079 0.00 . . . . . . A 24 LYS CA . 34354 1 85 . 1 1 8 8 LYS CB C 13 36.712 0.00 . . . . . . A 24 LYS CB . 34354 1 86 . 1 1 8 8 LYS CG C 13 24.846 0.00 . . . . . . A 24 LYS CG . 34354 1 87 . 1 1 8 8 LYS CD C 13 29.202 0.00 . . . . . . A 24 LYS CD . 34354 1 88 . 1 1 8 8 LYS CE C 13 42.565 0.00 . . . . . . A 24 LYS CE . 34354 1 89 . 1 1 8 8 LYS N N 15 116.186 0.00 . . . . . . A 24 LYS N . 34354 1 90 . 1 1 9 9 ASN H H 1 8.677 0.00 . . . . . . A 25 ASN H . 34354 1 91 . 1 1 9 9 ASN HA H 1 4.973 0.00 . . . . . . A 25 ASN HA . 34354 1 92 . 1 1 9 9 ASN HB2 H 1 2.973 0.00 . . . . . . A 25 ASN HB2 . 34354 1 93 . 1 1 9 9 ASN HB3 H 1 2.740 0.00 . . . . . . A 25 ASN HB3 . 34354 1 94 . 1 1 9 9 ASN HD21 H 1 7.578 0.00 . . . . . . A 25 ASN HD21 . 34354 1 95 . 1 1 9 9 ASN HD22 H 1 7.034 0.00 . . . . . . A 25 ASN HD22 . 34354 1 96 . 1 1 9 9 ASN CA C 13 52.882 0.00 . . . . . . A 25 ASN CA . 34354 1 97 . 1 1 9 9 ASN CB C 13 39.413 0.01 . . . . . . A 25 ASN CB . 34354 1 98 . 1 1 9 9 ASN N N 15 124.244 0.00 . . . . . . A 25 ASN N . 34354 1 99 . 1 1 9 9 ASN ND2 N 15 113.356 0.01 . . . . . . A 25 ASN ND2 . 34354 1 100 . 1 1 10 10 CYS H H 1 7.742 0.00 . . . . . . A 26 CYS H . 34354 1 101 . 1 1 10 10 CYS HA H 1 4.960 0.00 . . . . . . A 26 CYS HA . 34354 1 102 . 1 1 10 10 CYS HB2 H 1 3.241 0.00 . . . . . . A 26 CYS HB2 . 34354 1 103 . 1 1 10 10 CYS HB3 H 1 3.138 0.00 . . . . . . A 26 CYS HB3 . 34354 1 104 . 1 1 10 10 CYS CA C 13 54.724 0.00 . . . . . . A 26 CYS CA . 34354 1 105 . 1 1 10 10 CYS CB C 13 49.305 0.00 . . . . . . A 26 CYS CB . 34354 1 106 . 1 1 10 10 CYS N N 15 113.054 0.00 . . . . . . A 26 CYS N . 34354 1 107 . 1 1 11 11 THR H H 1 8.668 0.00 . . . . . . A 27 THR H . 34354 1 108 . 1 1 11 11 THR HA H 1 4.801 0.00 . . . . . . A 27 THR HA . 34354 1 109 . 1 1 11 11 THR HB H 1 4.104 0.00 . . . . . . A 27 THR HB . 34354 1 110 . 1 1 11 11 THR HG21 H 1 1.249 0.00 . . . . . . A 27 THR HG21 . 34354 1 111 . 1 1 11 11 THR HG22 H 1 1.249 0.00 . . . . . . A 27 THR HG22 . 34354 1 112 . 1 1 11 11 THR HG23 H 1 1.249 0.00 . . . . . . A 27 THR HG23 . 34354 1 113 . 1 1 11 11 THR CA C 13 61.155 0.00 . . . . . . A 27 THR CA . 34354 1 114 . 1 1 11 11 THR CB C 13 71.056 0.00 . . . . . . A 27 THR CB . 34354 1 115 . 1 1 11 11 THR CG2 C 13 21.567 0.00 . . . . . . A 27 THR CG2 . 34354 1 116 . 1 1 11 11 THR N N 15 115.437 0.00 . . . . . . A 27 THR N . 34354 1 117 . 1 1 12 12 SER H H 1 8.665 0.00 . . . . . . A 28 SER H . 34354 1 118 . 1 1 12 12 SER HA H 1 4.212 0.00 . . . . . . A 28 SER HA . 34354 1 119 . 1 1 12 12 SER HB2 H 1 3.944 0.00 . . . . . . A 28 SER HB2 . 34354 1 120 . 1 1 12 12 SER HB3 H 1 3.891 0.00 . . . . . . A 28 SER HB3 . 34354 1 121 . 1 1 12 12 SER CA C 13 59.761 0.00 . . . . . . A 28 SER CA . 34354 1 122 . 1 1 12 12 SER CB C 13 63.496 0.00 . . . . . . A 28 SER CB . 34354 1 123 . 1 1 12 12 SER N N 15 118.302 0.00 . . . . . . A 28 SER N . 34354 1 124 . 1 1 13 13 GLY H H 1 8.656 0.00 . . . . . . A 29 GLY H . 34354 1 125 . 1 1 13 13 GLY HA2 H 1 4.222 0.00 . . . . . . A 29 GLY HA2 . 34354 1 126 . 1 1 13 13 GLY HA3 H 1 3.899 0.00 . . . . . . A 29 GLY HA3 . 34354 1 127 . 1 1 13 13 GLY CA C 13 45.559 0.00 . . . . . . A 29 GLY CA . 34354 1 128 . 1 1 13 13 GLY N N 15 112.726 0.00 . . . . . . A 29 GLY N . 34354 1 129 . 1 1 14 14 GLN H H 1 7.814 0.00 . . . . . . A 30 GLN H . 34354 1 130 . 1 1 14 14 GLN HA H 1 4.473 0.00 . . . . . . A 30 GLN HA . 34354 1 131 . 1 1 14 14 GLN HB2 H 1 2.167 0.00 . . . . . . A 30 GLN HB2 . 34354 1 132 . 1 1 14 14 GLN HB3 H 1 1.990 0.00 . . . . . . A 30 GLN HB3 . 34354 1 133 . 1 1 14 14 GLN HG2 H 1 2.316 0.00 . . . . . . A 30 GLN HG2 . 34354 1 134 . 1 1 14 14 GLN HG3 H 1 2.262 0.00 . . . . . . A 30 GLN HG3 . 34354 1 135 . 1 1 14 14 GLN HE21 H 1 7.481 0.00 . . . . . . A 30 GLN HE21 . 34354 1 136 . 1 1 14 14 GLN HE22 H 1 6.812 0.00 . . . . . . A 30 GLN HE22 . 34354 1 137 . 1 1 14 14 GLN CA C 13 55.448 0.00 . . . . . . A 30 GLN CA . 34354 1 138 . 1 1 14 14 GLN CB C 13 29.604 0.00 . . . . . . A 30 GLN CB . 34354 1 139 . 1 1 14 14 GLN CG C 13 33.844 0.00 . . . . . . A 30 GLN CG . 34354 1 140 . 1 1 14 14 GLN N N 15 118.804 0.00 . . . . . . A 30 GLN N . 34354 1 141 . 1 1 14 14 GLN NE2 N 15 112.207 0.00 . . . . . . A 30 GLN NE2 . 34354 1 142 . 1 1 15 15 ASN H H 1 8.684 0.00 . . . . . . A 31 ASN H . 34354 1 143 . 1 1 15 15 ASN HA H 1 4.802 0.00 . . . . . . A 31 ASN HA . 34354 1 144 . 1 1 15 15 ASN HB2 H 1 3.003 0.00 . . . . . . A 31 ASN HB2 . 34354 1 145 . 1 1 15 15 ASN HB3 H 1 2.781 0.00 . . . . . . A 31 ASN HB3 . 34354 1 146 . 1 1 15 15 ASN HD21 H 1 7.600 0.00 . . . . . . A 31 ASN HD21 . 34354 1 147 . 1 1 15 15 ASN HD22 H 1 6.831 0.00 . . . . . . A 31 ASN HD22 . 34354 1 148 . 1 1 15 15 ASN CA C 13 53.823 0.00 . . . . . . A 31 ASN CA . 34354 1 149 . 1 1 15 15 ASN CB C 13 37.909 0.00 . . . . . . A 31 ASN CB . 34354 1 150 . 1 1 15 15 ASN N N 15 119.691 0.00 . . . . . . A 31 ASN N . 34354 1 151 . 1 1 15 15 ASN ND2 N 15 112.353 0.01 . . . . . . A 31 ASN ND2 . 34354 1 152 . 1 1 16 16 GLU H H 1 8.448 0.00 . . . . . . A 32 GLU H . 34354 1 153 . 1 1 16 16 GLU HA H 1 4.411 0.00 . . . . . . A 32 GLU HA . 34354 1 154 . 1 1 16 16 GLU HB2 H 1 2.164 0.01 . . . . . . A 32 GLU HB2 . 34354 1 155 . 1 1 16 16 GLU HB3 H 1 1.939 0.00 . . . . . . A 32 GLU HB3 . 34354 1 156 . 1 1 16 16 GLU HG2 H 1 2.274 0.00 . . . . . . A 32 GLU HG2 . 34354 1 157 . 1 1 16 16 GLU HG3 H 1 2.274 0.00 . . . . . . A 32 GLU HG3 . 34354 1 158 . 1 1 16 16 GLU CA C 13 56.548 0.00 . . . . . . A 32 GLU CA . 34354 1 159 . 1 1 16 16 GLU CB C 13 31.111 0.00 . . . . . . A 32 GLU CB . 34354 1 160 . 1 1 16 16 GLU CG C 13 36.078 0.00 . . . . . . A 32 GLU CG . 34354 1 161 . 1 1 16 16 GLU N N 15 118.934 0.00 . . . . . . A 32 GLU N . 34354 1 162 . 1 1 17 17 CYS H H 1 8.318 0.00 . . . . . . A 33 CYS H . 34354 1 163 . 1 1 17 17 CYS HA H 1 5.014 0.00 . . . . . . A 33 CYS HA . 34354 1 164 . 1 1 17 17 CYS HB2 H 1 2.772 0.00 . . . . . . A 33 CYS HB2 . 34354 1 165 . 1 1 17 17 CYS HB3 H 1 2.722 0.00 . . . . . . A 33 CYS HB3 . 34354 1 166 . 1 1 17 17 CYS CA C 13 52.843 0.00 . . . . . . A 33 CYS CA . 34354 1 167 . 1 1 17 17 CYS CB C 13 37.341 0.01 . . . . . . A 33 CYS CB . 34354 1 168 . 1 1 17 17 CYS N N 15 116.971 0.00 . . . . . . A 33 CYS N . 34354 1 169 . 1 1 18 18 PRO HA H 1 4.473 0.00 . . . . . . A 34 PRO HA . 34354 1 170 . 1 1 18 18 PRO HB2 H 1 2.455 0.01 . . . . . . A 34 PRO HB2 . 34354 1 171 . 1 1 18 18 PRO HB3 H 1 2.022 0.00 . . . . . . A 34 PRO HB3 . 34354 1 172 . 1 1 18 18 PRO HG2 H 1 2.136 0.00 . . . . . . A 34 PRO HG2 . 34354 1 173 . 1 1 18 18 PRO HG3 H 1 2.026 0.00 . . . . . . A 34 PRO HG3 . 34354 1 174 . 1 1 18 18 PRO HD2 H 1 3.832 0.00 . . . . . . A 34 PRO HD2 . 34354 1 175 . 1 1 18 18 PRO HD3 H 1 3.174 0.00 . . . . . . A 34 PRO HD3 . 34354 1 176 . 1 1 18 18 PRO CA C 13 62.306 0.00 . . . . . . A 34 PRO CA . 34354 1 177 . 1 1 18 18 PRO CB C 13 32.103 0.00 . . . . . . A 34 PRO CB . 34354 1 178 . 1 1 18 18 PRO CG C 13 27.915 0.00 . . . . . . A 34 PRO CG . 34354 1 179 . 1 1 18 18 PRO CD C 13 50.520 0.01 . . . . . . A 34 PRO CD . 34354 1 180 . 1 1 19 19 GLU H H 1 8.408 0.00 . . . . . . A 35 GLU H . 34354 1 181 . 1 1 19 19 GLU HA H 1 4.029 0.00 . . . . . . A 35 GLU HA . 34354 1 182 . 1 1 19 19 GLU HB2 H 1 2.050 0.00 . . . . . . A 35 GLU HB2 . 34354 1 183 . 1 1 19 19 GLU HB3 H 1 1.971 0.00 . . . . . . A 35 GLU HB3 . 34354 1 184 . 1 1 19 19 GLU HG2 H 1 2.368 0.00 . . . . . . A 35 GLU HG2 . 34354 1 185 . 1 1 19 19 GLU HG3 H 1 2.368 0.00 . . . . . . A 35 GLU HG3 . 34354 1 186 . 1 1 19 19 GLU CA C 13 58.150 0.00 . . . . . . A 35 GLU CA . 34354 1 187 . 1 1 19 19 GLU CB C 13 29.120 0.00 . . . . . . A 35 GLU CB . 34354 1 188 . 1 1 19 19 GLU CG C 13 35.050 0.00 . . . . . . A 35 GLU CG . 34354 1 189 . 1 1 19 19 GLU N N 15 120.673 0.00 . . . . . . A 35 GLU N . 34354 1 190 . 1 1 20 20 GLY H H 1 8.794 0.00 . . . . . . A 36 GLY H . 34354 1 191 . 1 1 20 20 GLY HA2 H 1 4.297 0.00 . . . . . . A 36 GLY HA2 . 34354 1 192 . 1 1 20 20 GLY HA3 H 1 3.728 0.00 . . . . . . A 36 GLY HA3 . 34354 1 193 . 1 1 20 20 GLY CA C 13 45.226 0.01 . . . . . . A 36 GLY CA . 34354 1 194 . 1 1 20 20 GLY N N 15 112.784 0.00 . . . . . . A 36 GLY N . 34354 1 195 . 1 1 21 21 CYS H H 1 8.163 0.00 . . . . . . A 37 CYS H . 34354 1 196 . 1 1 21 21 CYS HA H 1 5.471 0.00 . . . . . . A 37 CYS HA . 34354 1 197 . 1 1 21 21 CYS HB2 H 1 3.682 0.00 . . . . . . A 37 CYS HB2 . 34354 1 198 . 1 1 21 21 CYS HB3 H 1 2.603 0.00 . . . . . . A 37 CYS HB3 . 34354 1 199 . 1 1 21 21 CYS CA C 13 56.018 0.00 . . . . . . A 37 CYS CA . 34354 1 200 . 1 1 21 21 CYS CB C 13 48.877 0.00 . . . . . . A 37 CYS CB . 34354 1 201 . 1 1 21 21 CYS N N 15 116.604 0.00 . . . . . . A 37 CYS N . 34354 1 202 . 1 1 22 22 PHE H H 1 9.518 0.00 . . . . . . A 38 PHE H . 34354 1 203 . 1 1 22 22 PHE HA H 1 5.134 0.00 . . . . . . A 38 PHE HA . 34354 1 204 . 1 1 22 22 PHE HB2 H 1 3.031 0.00 . . . . . . A 38 PHE HB2 . 34354 1 205 . 1 1 22 22 PHE HB3 H 1 2.942 0.00 . . . . . . A 38 PHE HB3 . 34354 1 206 . 1 1 22 22 PHE HD1 H 1 7.140 0.00 . . . . . . A 38 PHE HD1 . 34354 1 207 . 1 1 22 22 PHE HD2 H 1 7.140 0.00 . . . . . . A 38 PHE HD2 . 34354 1 208 . 1 1 22 22 PHE HE1 H 1 7.136 0.00 . . . . . . A 38 PHE HE1 . 34354 1 209 . 1 1 22 22 PHE HE2 H 1 7.136 0.00 . . . . . . A 38 PHE HE2 . 34354 1 210 . 1 1 22 22 PHE HZ H 1 6.933 0.02 . . . . . . A 38 PHE HZ . 34354 1 211 . 1 1 22 22 PHE CA C 13 54.928 0.00 . . . . . . A 38 PHE CA . 34354 1 212 . 1 1 22 22 PHE CB C 13 42.189 0.00 . . . . . . A 38 PHE CB . 34354 1 213 . 1 1 22 22 PHE CD1 C 13 133.371 0.00 . . . . . . A 38 PHE CD1 . 34354 1 214 . 1 1 22 22 PHE CD2 C 13 133.371 0.00 . . . . . . A 38 PHE CD2 . 34354 1 215 . 1 1 22 22 PHE CE1 C 13 130.345 0.00 . . . . . . A 38 PHE CE1 . 34354 1 216 . 1 1 22 22 PHE CE2 C 13 130.345 0.00 . . . . . . A 38 PHE CE2 . 34354 1 217 . 1 1 22 22 PHE CZ C 13 128.823 0.00 . . . . . . A 38 PHE CZ . 34354 1 218 . 1 1 22 22 PHE N N 15 119.229 0.00 . . . . . . A 38 PHE N . 34354 1 219 . 1 1 23 23 CYS H H 1 9.188 0.00 . . . . . . A 39 CYS H . 34354 1 220 . 1 1 23 23 CYS HA H 1 4.711 0.00 . . . . . . A 39 CYS HA . 34354 1 221 . 1 1 23 23 CYS HB2 H 1 3.058 0.01 . . . . . . A 39 CYS HB2 . 34354 1 222 . 1 1 23 23 CYS HB3 H 1 3.007 0.00 . . . . . . A 39 CYS HB3 . 34354 1 223 . 1 1 23 23 CYS CA C 13 55.369 0.00 . . . . . . A 39 CYS CA . 34354 1 224 . 1 1 23 23 CYS CB C 13 40.803 0.00 . . . . . . A 39 CYS CB . 34354 1 225 . 1 1 23 23 CYS N N 15 121.245 0.00 . . . . . . A 39 CYS N . 34354 1 226 . 1 1 24 24 GLY H H 1 9.307 0.00 . . . . . . A 40 GLY H . 34354 1 227 . 1 1 24 24 GLY HA2 H 1 4.584 0.00 . . . . . . A 40 GLY HA2 . 34354 1 228 . 1 1 24 24 GLY HA3 H 1 3.516 0.00 . . . . . . A 40 GLY HA3 . 34354 1 229 . 1 1 24 24 GLY CA C 13 45.831 0.01 . . . . . . A 40 GLY CA . 34354 1 230 . 1 1 24 24 GLY N N 15 118.839 0.00 . . . . . . A 40 GLY N . 34354 1 231 . 1 1 25 25 LEU HA H 1 4.444 0.00 . . . . . . A 41 LEU HA . 34354 1 232 . 1 1 25 25 LEU HB2 H 1 1.654 0.00 . . . . . . A 41 LEU HB2 . 34354 1 233 . 1 1 25 25 LEU HB3 H 1 1.584 0.00 . . . . . . A 41 LEU HB3 . 34354 1 234 . 1 1 25 25 LEU HG H 1 1.475 0.00 . . . . . . A 41 LEU HG . 34354 1 235 . 1 1 25 25 LEU HD11 H 1 0.845 0.00 . . . . . . A 41 LEU HD11 . 34354 1 236 . 1 1 25 25 LEU HD12 H 1 0.845 0.00 . . . . . . A 41 LEU HD12 . 34354 1 237 . 1 1 25 25 LEU HD13 H 1 0.845 0.00 . . . . . . A 41 LEU HD13 . 34354 1 238 . 1 1 25 25 LEU HD21 H 1 0.615 0.00 . . . . . . A 41 LEU HD21 . 34354 1 239 . 1 1 25 25 LEU HD22 H 1 0.615 0.00 . . . . . . A 41 LEU HD22 . 34354 1 240 . 1 1 25 25 LEU HD23 H 1 0.615 0.00 . . . . . . A 41 LEU HD23 . 34354 1 241 . 1 1 25 25 LEU CA C 13 54.549 0.00 . . . . . . A 41 LEU CA . 34354 1 242 . 1 1 25 25 LEU CB C 13 42.389 0.01 . . . . . . A 41 LEU CB . 34354 1 243 . 1 1 25 25 LEU CG C 13 26.839 0.00 . . . . . . A 41 LEU CG . 34354 1 244 . 1 1 25 25 LEU CD1 C 13 25.516 0.00 . . . . . . A 41 LEU CD1 . 34354 1 245 . 1 1 25 25 LEU CD2 C 13 23.735 0.00 . . . . . . A 41 LEU CD2 . 34354 1 246 . 1 1 26 26 LEU H H 1 8.427 0.00 . . . . . . A 42 LEU H . 34354 1 247 . 1 1 26 26 LEU HA H 1 4.522 0.00 . . . . . . A 42 LEU HA . 34354 1 248 . 1 1 26 26 LEU HB2 H 1 1.679 0.00 . . . . . . A 42 LEU HB2 . 34354 1 249 . 1 1 26 26 LEU HB3 H 1 1.493 0.00 . . . . . . A 42 LEU HB3 . 34354 1 250 . 1 1 26 26 LEU HG H 1 1.626 0.00 . . . . . . A 42 LEU HG . 34354 1 251 . 1 1 26 26 LEU HD11 H 1 0.853 0.00 . . . . . . A 42 LEU HD11 . 34354 1 252 . 1 1 26 26 LEU HD12 H 1 0.853 0.00 . . . . . . A 42 LEU HD12 . 34354 1 253 . 1 1 26 26 LEU HD13 H 1 0.853 0.00 . . . . . . A 42 LEU HD13 . 34354 1 254 . 1 1 26 26 LEU HD21 H 1 0.793 0.00 . . . . . . A 42 LEU HD21 . 34354 1 255 . 1 1 26 26 LEU HD22 H 1 0.793 0.00 . . . . . . A 42 LEU HD22 . 34354 1 256 . 1 1 26 26 LEU HD23 H 1 0.793 0.00 . . . . . . A 42 LEU HD23 . 34354 1 257 . 1 1 26 26 LEU CA C 13 54.320 0.00 . . . . . . A 42 LEU CA . 34354 1 258 . 1 1 26 26 LEU CB C 13 42.986 0.00 . . . . . . A 42 LEU CB . 34354 1 259 . 1 1 26 26 LEU CG C 13 27.243 0.00 . . . . . . A 42 LEU CG . 34354 1 260 . 1 1 26 26 LEU CD1 C 13 25.126 0.00 . . . . . . A 42 LEU CD1 . 34354 1 261 . 1 1 26 26 LEU CD2 C 13 23.895 0.00 . . . . . . A 42 LEU CD2 . 34354 1 262 . 1 1 26 26 LEU N N 15 122.701 0.00 . . . . . . A 42 LEU N . 34354 1 263 . 1 1 27 27 GLY H H 1 8.611 0.00 . . . . . . A 43 GLY H . 34354 1 264 . 1 1 27 27 GLY HA2 H 1 3.951 0.00 . . . . . . A 43 GLY HA2 . 34354 1 265 . 1 1 27 27 GLY HA3 H 1 3.951 0.00 . . . . . . A 43 GLY HA3 . 34354 1 266 . 1 1 27 27 GLY CA C 13 46.249 0.00 . . . . . . A 43 GLY CA . 34354 1 267 . 1 1 27 27 GLY N N 15 111.285 0.00 . . . . . . A 43 GLY N . 34354 1 268 . 1 1 28 28 GLN H H 1 8.748 0.00 . . . . . . A 44 GLN H . 34354 1 269 . 1 1 28 28 GLN HA H 1 4.354 0.00 . . . . . . A 44 GLN HA . 34354 1 270 . 1 1 28 28 GLN HB2 H 1 2.298 0.00 . . . . . . A 44 GLN HB2 . 34354 1 271 . 1 1 28 28 GLN HB3 H 1 2.002 0.00 . . . . . . A 44 GLN HB3 . 34354 1 272 . 1 1 28 28 GLN HG2 H 1 2.417 0.00 . . . . . . A 44 GLN HG2 . 34354 1 273 . 1 1 28 28 GLN HG3 H 1 2.417 0.00 . . . . . . A 44 GLN HG3 . 34354 1 274 . 1 1 28 28 GLN HE21 H 1 7.543 0.00 . . . . . . A 44 GLN HE21 . 34354 1 275 . 1 1 28 28 GLN HE22 H 1 6.853 0.00 . . . . . . A 44 GLN HE22 . 34354 1 276 . 1 1 28 28 GLN CA C 13 56.134 0.00 . . . . . . A 44 GLN CA . 34354 1 277 . 1 1 28 28 GLN CB C 13 28.617 0.00 . . . . . . A 44 GLN CB . 34354 1 278 . 1 1 28 28 GLN CG C 13 34.061 0.00 . . . . . . A 44 GLN CG . 34354 1 279 . 1 1 28 28 GLN N N 15 122.587 0.00 . . . . . . A 44 GLN N . 34354 1 280 . 1 1 28 28 GLN NE2 N 15 112.495 0.01 . . . . . . A 44 GLN NE2 . 34354 1 281 . 1 1 29 29 ASN H H 1 8.298 0.00 . . . . . . A 45 ASN H . 34354 1 282 . 1 1 29 29 ASN HA H 1 4.586 0.00 . . . . . . A 45 ASN HA . 34354 1 283 . 1 1 29 29 ASN HB2 H 1 3.074 0.00 . . . . . . A 45 ASN HB2 . 34354 1 284 . 1 1 29 29 ASN HB3 H 1 3.020 0.00 . . . . . . A 45 ASN HB3 . 34354 1 285 . 1 1 29 29 ASN HD21 H 1 7.671 0.00 . . . . . . A 45 ASN HD21 . 34354 1 286 . 1 1 29 29 ASN HD22 H 1 7.010 0.00 . . . . . . A 45 ASN HD22 . 34354 1 287 . 1 1 29 29 ASN CA C 13 53.944 0.00 . . . . . . A 45 ASN CA . 34354 1 288 . 1 1 29 29 ASN CB C 13 38.773 0.00 . . . . . . A 45 ASN CB . 34354 1 289 . 1 1 29 29 ASN N N 15 118.609 0.00 . . . . . . A 45 ASN N . 34354 1 290 . 1 1 29 29 ASN ND2 N 15 112.209 0.00 . . . . . . A 45 ASN ND2 . 34354 1 291 . 1 1 30 30 LYS H H 1 8.325 0.00 . . . . . . A 46 LYS H . 34354 1 292 . 1 1 30 30 LYS HA H 1 4.252 0.00 . . . . . . A 46 LYS HA . 34354 1 293 . 1 1 30 30 LYS HB2 H 1 2.066 0.00 . . . . . . A 46 LYS HB2 . 34354 1 294 . 1 1 30 30 LYS HB3 H 1 1.867 0.00 . . . . . . A 46 LYS HB3 . 34354 1 295 . 1 1 30 30 LYS HG2 H 1 1.543 0.00 . . . . . . A 46 LYS HG2 . 34354 1 296 . 1 1 30 30 LYS HG3 H 1 1.454 0.00 . . . . . . A 46 LYS HG3 . 34354 1 297 . 1 1 30 30 LYS HD2 H 1 1.688 0.01 . . . . . . A 46 LYS HD2 . 34354 1 298 . 1 1 30 30 LYS HD3 H 1 1.673 0.00 . . . . . . A 46 LYS HD3 . 34354 1 299 . 1 1 30 30 LYS HE2 H 1 3.038 0.00 . . . . . . A 46 LYS HE2 . 34354 1 300 . 1 1 30 30 LYS HE3 H 1 3.038 0.00 . . . . . . A 46 LYS HE3 . 34354 1 301 . 1 1 30 30 LYS CA C 13 56.652 0.00 . . . . . . A 46 LYS CA . 34354 1 302 . 1 1 30 30 LYS CB C 13 32.416 0.01 . . . . . . A 46 LYS CB . 34354 1 303 . 1 1 30 30 LYS CG C 13 25.215 0.00 . . . . . . A 46 LYS CG . 34354 1 304 . 1 1 30 30 LYS CD C 13 28.898 0.00 . . . . . . A 46 LYS CD . 34354 1 305 . 1 1 30 30 LYS CE C 13 42.400 0.00 . . . . . . A 46 LYS CE . 34354 1 306 . 1 1 30 30 LYS N N 15 117.338 0.00 . . . . . . A 46 LYS N . 34354 1 307 . 1 1 31 31 LYS H H 1 7.700 0.00 . . . . . . A 47 LYS H . 34354 1 308 . 1 1 31 31 LYS HA H 1 4.685 0.01 . . . . . . A 47 LYS HA . 34354 1 309 . 1 1 31 31 LYS HB2 H 1 1.886 0.00 . . . . . . A 47 LYS HB2 . 34354 1 310 . 1 1 31 31 LYS HB3 H 1 1.767 0.00 . . . . . . A 47 LYS HB3 . 34354 1 311 . 1 1 31 31 LYS HG2 H 1 1.447 0.00 . . . . . . A 47 LYS HG2 . 34354 1 312 . 1 1 31 31 LYS HG3 H 1 1.401 0.00 . . . . . . A 47 LYS HG3 . 34354 1 313 . 1 1 31 31 LYS HD2 H 1 1.666 0.00 . . . . . . A 47 LYS HD2 . 34354 1 314 . 1 1 31 31 LYS HD3 H 1 1.666 0.00 . . . . . . A 47 LYS HD3 . 34354 1 315 . 1 1 31 31 LYS HE2 H 1 2.969 0.00 . . . . . . A 47 LYS HE2 . 34354 1 316 . 1 1 31 31 LYS HE3 H 1 2.969 0.00 . . . . . . A 47 LYS HE3 . 34354 1 317 . 1 1 31 31 LYS CB C 13 33.871 0.00 . . . . . . A 47 LYS CB . 34354 1 318 . 1 1 31 31 LYS CG C 13 24.874 0.00 . . . . . . A 47 LYS CG . 34354 1 319 . 1 1 31 31 LYS CD C 13 29.145 0.00 . . . . . . A 47 LYS CD . 34354 1 320 . 1 1 31 31 LYS CE C 13 42.198 0.00 . . . . . . A 47 LYS CE . 34354 1 321 . 1 1 31 31 LYS N N 15 118.625 0.00 . . . . . . A 47 LYS N . 34354 1 322 . 1 1 32 32 GLY H H 1 8.605 0.00 . . . . . . A 48 GLY H . 34354 1 323 . 1 1 32 32 GLY HA2 H 1 4.375 0.00 . . . . . . A 48 GLY HA2 . 34354 1 324 . 1 1 32 32 GLY HA3 H 1 3.740 0.00 . . . . . . A 48 GLY HA3 . 34354 1 325 . 1 1 32 32 GLY CA C 13 45.411 0.00 . . . . . . A 48 GLY CA . 34354 1 326 . 1 1 32 32 GLY N N 15 111.055 0.00 . . . . . . A 48 GLY N . 34354 1 327 . 1 1 33 33 HIS H H 1 8.294 0.00 . . . . . . A 49 HIS H . 34354 1 328 . 1 1 33 33 HIS HA H 1 5.017 0.00 . . . . . . A 49 HIS HA . 34354 1 329 . 1 1 33 33 HIS HB2 H 1 3.032 0.00 . . . . . . A 49 HIS HB2 . 34354 1 330 . 1 1 33 33 HIS HB3 H 1 2.773 0.00 . . . . . . A 49 HIS HB3 . 34354 1 331 . 1 1 33 33 HIS HD2 H 1 7.021 0.00 . . . . . . A 49 HIS HD2 . 34354 1 332 . 1 1 33 33 HIS HE1 H 1 8.444 0.00 . . . . . . A 49 HIS HE1 . 34354 1 333 . 1 1 33 33 HIS CA C 13 54.053 0.00 . . . . . . A 49 HIS CA . 34354 1 334 . 1 1 33 33 HIS CB C 13 31.488 0.01 . . . . . . A 49 HIS CB . 34354 1 335 . 1 1 33 33 HIS CD2 C 13 121.707 0.00 . . . . . . A 49 HIS CD2 . 34354 1 336 . 1 1 33 33 HIS CE1 C 13 136.810 0.00 . . . . . . A 49 HIS CE1 . 34354 1 337 . 1 1 33 33 HIS N N 15 118.274 0.00 . . . . . . A 49 HIS N . 34354 1 338 . 1 1 34 34 CYS H H 1 8.321 0.00 . . . . . . A 50 CYS H . 34354 1 339 . 1 1 34 34 CYS HA H 1 5.361 0.00 . . . . . . A 50 CYS HA . 34354 1 340 . 1 1 34 34 CYS HB2 H 1 2.703 0.00 . . . . . . A 50 CYS HB2 . 34354 1 341 . 1 1 34 34 CYS HB3 H 1 2.469 0.00 . . . . . . A 50 CYS HB3 . 34354 1 342 . 1 1 34 34 CYS CA C 13 54.732 0.00 . . . . . . A 50 CYS CA . 34354 1 343 . 1 1 34 34 CYS CB C 13 41.422 0.00 . . . . . . A 50 CYS CB . 34354 1 344 . 1 1 34 34 CYS N N 15 120.375 0.00 . . . . . . A 50 CYS N . 34354 1 345 . 1 1 35 35 TYR H H 1 9.197 0.00 . . . . . . A 51 TYR H . 34354 1 346 . 1 1 35 35 TYR HA H 1 5.231 0.00 . . . . . . A 51 TYR HA . 34354 1 347 . 1 1 35 35 TYR HB2 H 1 2.733 0.00 . . . . . . A 51 TYR HB2 . 34354 1 348 . 1 1 35 35 TYR HB3 H 1 1.820 0.00 . . . . . . A 51 TYR HB3 . 34354 1 349 . 1 1 35 35 TYR HD1 H 1 6.671 0.00 . . . . . . A 51 TYR HD1 . 34354 1 350 . 1 1 35 35 TYR HD2 H 1 6.671 0.00 . . . . . . A 51 TYR HD2 . 34354 1 351 . 1 1 35 35 TYR HE1 H 1 6.591 0.00 . . . . . . A 51 TYR HE1 . 34354 1 352 . 1 1 35 35 TYR HE2 H 1 6.591 0.00 . . . . . . A 51 TYR HE2 . 34354 1 353 . 1 1 35 35 TYR CA C 13 57.290 0.00 . . . . . . A 51 TYR CA . 34354 1 354 . 1 1 35 35 TYR CB C 13 43.577 0.01 . . . . . . A 51 TYR CB . 34354 1 355 . 1 1 35 35 TYR CD1 C 13 133.026 0.00 . . . . . . A 51 TYR CD1 . 34354 1 356 . 1 1 35 35 TYR CD2 C 13 133.026 0.00 . . . . . . A 51 TYR CD2 . 34354 1 357 . 1 1 35 35 TYR CE1 C 13 117.784 0.00 . . . . . . A 51 TYR CE1 . 34354 1 358 . 1 1 35 35 TYR CE2 C 13 117.784 0.00 . . . . . . A 51 TYR CE2 . 34354 1 359 . 1 1 35 35 TYR N N 15 125.565 0.00 . . . . . . A 51 TYR N . 34354 1 360 . 1 1 36 36 LYS H H 1 9.142 0.00 . . . . . . A 52 LYS H . 34354 1 361 . 1 1 36 36 LYS HA H 1 5.003 0.00 . . . . . . A 52 LYS HA . 34354 1 362 . 1 1 36 36 LYS HB2 H 1 1.839 0.00 . . . . . . A 52 LYS HB2 . 34354 1 363 . 1 1 36 36 LYS HB3 H 1 1.839 0.00 . . . . . . A 52 LYS HB3 . 34354 1 364 . 1 1 36 36 LYS HG2 H 1 1.322 0.00 . . . . . . A 52 LYS HG2 . 34354 1 365 . 1 1 36 36 LYS HG3 H 1 1.322 0.00 . . . . . . A 52 LYS HG3 . 34354 1 366 . 1 1 36 36 LYS HD2 H 1 1.590 0.00 . . . . . . A 52 LYS HD2 . 34354 1 367 . 1 1 36 36 LYS HD3 H 1 1.590 0.00 . . . . . . A 52 LYS HD3 . 34354 1 368 . 1 1 36 36 LYS HE2 H 1 2.841 0.00 . . . . . . A 52 LYS HE2 . 34354 1 369 . 1 1 36 36 LYS HE3 H 1 2.841 0.00 . . . . . . A 52 LYS HE3 . 34354 1 370 . 1 1 36 36 LYS CA C 13 54.716 0.00 . . . . . . A 52 LYS CA . 34354 1 371 . 1 1 36 36 LYS CB C 13 36.252 0.00 . . . . . . A 52 LYS CB . 34354 1 372 . 1 1 36 36 LYS CG C 13 24.464 0.00 . . . . . . A 52 LYS CG . 34354 1 373 . 1 1 36 36 LYS CD C 13 29.618 0.00 . . . . . . A 52 LYS CD . 34354 1 374 . 1 1 36 36 LYS CE C 13 42.311 0.00 . . . . . . A 52 LYS CE . 34354 1 375 . 1 1 36 36 LYS N N 15 117.823 0.00 . . . . . . A 52 LYS N . 34354 1 376 . 1 1 37 37 ILE H H 1 8.717 0.00 . . . . . . A 53 ILE H . 34354 1 377 . 1 1 37 37 ILE HA H 1 4.706 0.00 . . . . . . A 53 ILE HA . 34354 1 378 . 1 1 37 37 ILE HB H 1 1.714 0.00 . . . . . . A 53 ILE HB . 34354 1 379 . 1 1 37 37 ILE HG12 H 1 1.666 0.00 . . . . . . A 53 ILE HG12 . 34354 1 380 . 1 1 37 37 ILE HG13 H 1 1.031 0.00 . . . . . . A 53 ILE HG13 . 34354 1 381 . 1 1 37 37 ILE HG21 H 1 0.677 0.00 . . . . . . A 53 ILE HG21 . 34354 1 382 . 1 1 37 37 ILE HG22 H 1 0.677 0.00 . . . . . . A 53 ILE HG22 . 34354 1 383 . 1 1 37 37 ILE HG23 H 1 0.677 0.00 . . . . . . A 53 ILE HG23 . 34354 1 384 . 1 1 37 37 ILE HD11 H 1 0.529 0.00 . . . . . . A 53 ILE HD11 . 34354 1 385 . 1 1 37 37 ILE HD12 H 1 0.529 0.00 . . . . . . A 53 ILE HD12 . 34354 1 386 . 1 1 37 37 ILE HD13 H 1 0.529 0.00 . . . . . . A 53 ILE HD13 . 34354 1 387 . 1 1 37 37 ILE CB C 13 38.971 0.00 . . . . . . A 53 ILE CB . 34354 1 388 . 1 1 37 37 ILE CG1 C 13 28.591 0.00 . . . . . . A 53 ILE CG1 . 34354 1 389 . 1 1 37 37 ILE CG2 C 13 17.772 0.00 . . . . . . A 53 ILE CG2 . 34354 1 390 . 1 1 37 37 ILE CD1 C 13 13.036 0.00 . . . . . . A 53 ILE CD1 . 34354 1 391 . 1 1 37 37 ILE N N 15 122.850 0.00 . . . . . . A 53 ILE N . 34354 1 392 . 1 1 38 38 ILE H H 1 8.715 0.00 . . . . . . A 54 ILE H . 34354 1 393 . 1 1 38 38 ILE HA H 1 4.535 0.00 . . . . . . A 54 ILE HA . 34354 1 394 . 1 1 38 38 ILE HB H 1 1.948 0.00 . . . . . . A 54 ILE HB . 34354 1 395 . 1 1 38 38 ILE HG12 H 1 1.442 0.00 . . . . . . A 54 ILE HG12 . 34354 1 396 . 1 1 38 38 ILE HG13 H 1 1.120 0.00 . . . . . . A 54 ILE HG13 . 34354 1 397 . 1 1 38 38 ILE HG21 H 1 0.944 0.00 . . . . . . A 54 ILE HG21 . 34354 1 398 . 1 1 38 38 ILE HG22 H 1 0.944 0.00 . . . . . . A 54 ILE HG22 . 34354 1 399 . 1 1 38 38 ILE HG23 H 1 0.944 0.00 . . . . . . A 54 ILE HG23 . 34354 1 400 . 1 1 38 38 ILE HD11 H 1 0.845 0.00 . . . . . . A 54 ILE HD11 . 34354 1 401 . 1 1 38 38 ILE HD12 H 1 0.845 0.00 . . . . . . A 54 ILE HD12 . 34354 1 402 . 1 1 38 38 ILE HD13 H 1 0.845 0.00 . . . . . . A 54 ILE HD13 . 34354 1 403 . 1 1 38 38 ILE CA C 13 60.026 0.00 . . . . . . A 54 ILE CA . 34354 1 404 . 1 1 38 38 ILE CB C 13 39.816 0.00 . . . . . . A 54 ILE CB . 34354 1 405 . 1 1 38 38 ILE CG1 C 13 26.835 0.00 . . . . . . A 54 ILE CG1 . 34354 1 406 . 1 1 38 38 ILE CG2 C 13 17.777 0.00 . . . . . . A 54 ILE CG2 . 34354 1 407 . 1 1 38 38 ILE CD1 C 13 12.933 0.00 . . . . . . A 54 ILE CD1 . 34354 1 408 . 1 1 38 38 ILE N N 15 125.416 0.00 . . . . . . A 54 ILE N . 34354 1 409 . 1 1 39 39 GLY H H 1 8.441 0.00 . . . . . . A 55 GLY H . 34354 1 410 . 1 1 39 39 GLY HA2 H 1 4.149 0.00 . . . . . . A 55 GLY HA2 . 34354 1 411 . 1 1 39 39 GLY HA3 H 1 3.959 0.00 . . . . . . A 55 GLY HA3 . 34354 1 412 . 1 1 39 39 GLY CA C 13 45.261 0.00 . . . . . . A 55 GLY CA . 34354 1 413 . 1 1 39 39 GLY N N 15 112.300 0.00 . . . . . . A 55 GLY N . 34354 1 414 . 1 1 40 40 ASN H H 1 8.002 0.00 . . . . . . A 56 ASN H . 34354 1 415 . 1 1 40 40 ASN HA H 1 4.562 0.00 . . . . . . A 56 ASN HA . 34354 1 416 . 1 1 40 40 ASN HB2 H 1 2.721 0.00 . . . . . . A 56 ASN HB2 . 34354 1 417 . 1 1 40 40 ASN HB3 H 1 2.668 0.00 . . . . . . A 56 ASN HB3 . 34354 1 418 . 1 1 40 40 ASN HD21 H 1 7.439 0.00 . . . . . . A 56 ASN HD21 . 34354 1 419 . 1 1 40 40 ASN HD22 H 1 6.741 0.00 . . . . . . A 56 ASN HD22 . 34354 1 420 . 1 1 40 40 ASN CA C 13 54.581 0.00 . . . . . . A 56 ASN CA . 34354 1 421 . 1 1 40 40 ASN CB C 13 40.549 0.00 . . . . . . A 56 ASN CB . 34354 1 422 . 1 1 40 40 ASN N N 15 123.385 0.00 . . . . . . A 56 ASN N . 34354 1 423 . 1 1 40 40 ASN ND2 N 15 112.136 0.01 . . . . . . A 56 ASN ND2 . 34354 1 stop_ save_