data_16136 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16136 _Entry.Title ; NMR assignment of jerdostatin from Trimeresurus jerdonii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-27 _Entry.Accession_date 2009-01-27 _Entry.Last_release_date 2009-01-27 _Entry.Original_release_date 2009-01-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.9.13 _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_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 Rodrigo Carbajo . J. . . 16136 2 Libia Sanz . . . . 16136 3 Silvia Mosulen . . . . 16136 4 'Juan Jose' Calvete . . . . 16136 5 Antonio Pineda-Lucena . . . . 16136 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16136 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 102 16136 '15N chemical shifts' 45 16136 '1H chemical shifts' 257 16136 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 . . 2019-10-30 2009-01-27 update BMRB 'complete entry, etc.' 16136 1 . . 2011-07-18 2009-01-27 original author 'original release' 16136 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2W9O 'BMRB Entry Tracking System' 16136 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16136 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21656569 _Citation.Full_citation . _Citation.Title ; NMR structure and dynamics of recombinant wild type and mutated jerdostatin, a selective inhibitor of integrin alpha(1)beta(1). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 2530 _Citation.Page_last 2542 _Citation.Year 2011 _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 Rodrigo Carbajo . J. . . 16136 1 2 Libia Sanz . . . . 16136 1 3 Silvia Mosulen . . . . 16136 1 4 Alicia Perez . . . . 16136 1 5 Cezary Marcinkiewicz . . . . 16136 1 6 Antonio Pineda-Lucena . . . . 16136 1 7 Juan Calvete . J. . . 16136 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID disintegrins 16136 1 venom 16136 1 viper 16136 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16136 _Assembly.ID 1 _Assembly.Name 'jerdostatin polypeptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'jerdostatin polypeptide' 1 $jerdostatin A . yes native no no . . . 16136 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 4 4 SG . 1 . 1 CYS 13 13 SG . . . . . . . . . . . . 16136 1 2 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . . . 16136 1 3 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . . . 16136 1 4 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . . . 16136 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_jerdostatin _Entity.Sf_category entity _Entity.Sf_framecode jerdostatin _Entity.Entry_ID 16136 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name jerdostatin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AMDCTTGPCCRQCKLKPAGT TCWRTSVSSHYCTGRSCECP SYPGNG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q7ZZM2 . 'Short disintegrin jerdostatin' . . . . . . . . . . . . . . 16136 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Inhibits the adhesion of alpha-1/beta-1-K562 (ITGA1/ITGB1) cells to collagen IV.' 16136 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 1 ALA . 16136 1 2 2 MET . 16136 1 3 3 ASP . 16136 1 4 4 CYS . 16136 1 5 5 THR . 16136 1 6 6 THR . 16136 1 7 7 GLY . 16136 1 8 8 PRO . 16136 1 9 9 CYS . 16136 1 10 10 CYS . 16136 1 11 11 ARG . 16136 1 12 12 GLN . 16136 1 13 13 CYS . 16136 1 14 14 LYS . 16136 1 15 15 LEU . 16136 1 16 16 LYS . 16136 1 17 17 PRO . 16136 1 18 18 ALA . 16136 1 19 19 GLY . 16136 1 20 20 THR . 16136 1 21 21 THR . 16136 1 22 22 CYS . 16136 1 23 23 TRP . 16136 1 24 24 ARG . 16136 1 25 25 THR . 16136 1 26 26 SER . 16136 1 27 27 VAL . 16136 1 28 28 SER . 16136 1 29 29 SER . 16136 1 30 30 HIS . 16136 1 31 31 TYR . 16136 1 32 32 CYS . 16136 1 33 33 THR . 16136 1 34 34 GLY . 16136 1 35 35 ARG . 16136 1 36 36 SER . 16136 1 37 37 CYS . 16136 1 38 38 GLU . 16136 1 39 39 CYS . 16136 1 40 40 PRO . 16136 1 41 41 SER . 16136 1 42 42 TYR . 16136 1 43 43 PRO . 16136 1 44 44 GLY . 16136 1 45 45 ASN . 16136 1 46 46 GLY . 16136 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 . ALA 1 1 16136 1 . MET 2 2 16136 1 . ASP 3 3 16136 1 . CYS 4 4 16136 1 . THR 5 5 16136 1 . THR 6 6 16136 1 . GLY 7 7 16136 1 . PRO 8 8 16136 1 . CYS 9 9 16136 1 . CYS 10 10 16136 1 . ARG 11 11 16136 1 . GLN 12 12 16136 1 . CYS 13 13 16136 1 . LYS 14 14 16136 1 . LEU 15 15 16136 1 . LYS 16 16 16136 1 . PRO 17 17 16136 1 . ALA 18 18 16136 1 . GLY 19 19 16136 1 . THR 20 20 16136 1 . THR 21 21 16136 1 . CYS 22 22 16136 1 . TRP 23 23 16136 1 . ARG 24 24 16136 1 . THR 25 25 16136 1 . SER 26 26 16136 1 . VAL 27 27 16136 1 . SER 28 28 16136 1 . SER 29 29 16136 1 . HIS 30 30 16136 1 . TYR 31 31 16136 1 . CYS 32 32 16136 1 . THR 33 33 16136 1 . GLY 34 34 16136 1 . ARG 35 35 16136 1 . SER 36 36 16136 1 . CYS 37 37 16136 1 . GLU 38 38 16136 1 . CYS 39 39 16136 1 . PRO 40 40 16136 1 . SER 41 41 16136 1 . TYR 42 42 16136 1 . PRO 43 43 16136 1 . GLY 44 44 16136 1 . ASN 45 45 16136 1 . GLY 46 46 16136 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 16136 _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 $jerdostatin . 135726 organism . 'Trimeresurus jerdonii' 'Trimeresurus jerdonii' . . Eukaryota Metazoa Trimeresurus jerdonii . . . . . . . . . . . . . 16136 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 16136 _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 $jerdostatin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-32a . . . 16136 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16136 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 jerdostatin '[U-100% 15N]' . . 1 $jerdostatin . . 0.5 . . mM . . . . 16136 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 16136 _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 . M 16136 1 pH 4.5 . pH 16136 1 pressure 1 . atm 16136 1 temperature 300 . K 16136 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16136 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16136 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 16136 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16136 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16136 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 16136 2 . processing 16136 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16136 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16136 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 16136 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16136 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16136 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16136 _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 spectrometer_1 Bruker Avance . 600 . . . 16136 1 2 spectrometer_2 Bruker Avance . 700 . . . 16136 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 16136 _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 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16136 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16136 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16136 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16136 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16136 _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 0.00 . indirect 0.251449530 . . . . . 16136 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16136 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 16136 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16136 _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 $chemical_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' . . . 16136 1 2 '2D 1H-13C HSQC' . . . 16136 1 3 '2D 1H-1H NOESY' . . . 16136 1 4 '2D 1H-1H TOCSY' . . . 16136 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 3 3 ASP HA H 1 4.26 0.01 . 1 . . . . . 3 ASP HA . 16136 1 2 . 1 1 3 3 ASP HB2 H 1 2.67 0.01 . 2 . . . . . 3 ASP HB2 . 16136 1 3 . 1 1 3 3 ASP HB3 H 1 2.81 0.01 . 2 . . . . . 3 ASP HB3 . 16136 1 4 . 1 1 3 3 ASP CA C 13 53.3 0.1 . 1 . . . . . 3 ASP CA . 16136 1 5 . 1 1 3 3 ASP CB C 13 39.7 0.1 . 1 . . . . . 3 ASP CB . 16136 1 6 . 1 1 4 4 CYS H H 1 8.29 0.01 . 1 . . . . . 4 CYS H . 16136 1 7 . 1 1 4 4 CYS HA H 1 4.81 0.01 . 1 . . . . . 4 CYS HA . 16136 1 8 . 1 1 4 4 CYS HB2 H 1 3.24 0.01 . 2 . . . . . 4 CYS HB2 . 16136 1 9 . 1 1 4 4 CYS HB3 H 1 3.32 0.01 . 2 . . . . . 4 CYS HB3 . 16136 1 10 . 1 1 4 4 CYS CB C 13 44.5 0.1 . 1 . . . . . 4 CYS CB . 16136 1 11 . 1 1 4 4 CYS N N 15 117.5 0.1 . 1 . . . . . 4 CYS N . 16136 1 12 . 1 1 5 5 THR H H 1 8.44 0.01 . 1 . . . . . 5 THR H . 16136 1 13 . 1 1 5 5 THR HA H 1 4.25 0.01 . 1 . . . . . 5 THR HA . 16136 1 14 . 1 1 5 5 THR HB H 1 4.04 0.01 . 1 . . . . . 5 THR HB . 16136 1 15 . 1 1 5 5 THR HG21 H 1 1.22 0.01 . 1 . . . . . 5 THR MG . 16136 1 16 . 1 1 5 5 THR HG22 H 1 1.22 0.01 . 1 . . . . . 5 THR MG . 16136 1 17 . 1 1 5 5 THR HG23 H 1 1.22 0.01 . 1 . . . . . 5 THR MG . 16136 1 18 . 1 1 5 5 THR CA C 13 62.9 0.1 . 1 . . . . . 5 THR CA . 16136 1 19 . 1 1 5 5 THR CB C 13 69.1 0.1 . 1 . . . . . 5 THR CB . 16136 1 20 . 1 1 5 5 THR CG2 C 13 22.2 0.1 . 1 . . . . . 5 THR CG2 . 16136 1 21 . 1 1 5 5 THR N N 15 120.3 0.1 . 1 . . . . . 5 THR N . 16136 1 22 . 1 1 6 6 THR H H 1 8.28 0.01 . 1 . . . . . 6 THR H . 16136 1 23 . 1 1 6 6 THR HA H 1 4.63 0.01 . 1 . . . . . 6 THR HA . 16136 1 24 . 1 1 6 6 THR HB H 1 4.17 0.01 . 1 . . . . . 6 THR HB . 16136 1 25 . 1 1 6 6 THR HG21 H 1 1.16 0.01 . 1 . . . . . 6 THR MG . 16136 1 26 . 1 1 6 6 THR HG22 H 1 1.16 0.01 . 1 . . . . . 6 THR MG . 16136 1 27 . 1 1 6 6 THR HG23 H 1 1.16 0.01 . 1 . . . . . 6 THR MG . 16136 1 28 . 1 1 6 6 THR CA C 13 64.6 0.1 . 1 . . . . . 6 THR CA . 16136 1 29 . 1 1 6 6 THR CB C 13 71.1 0.1 . 1 . . . . . 6 THR CB . 16136 1 30 . 1 1 6 6 THR CG2 C 13 21.0 0.1 . 1 . . . . . 6 THR CG2 . 16136 1 31 . 1 1 6 6 THR N N 15 116.4 0.1 . 1 . . . . . 6 THR N . 16136 1 32 . 1 1 7 7 GLY H H 1 8.25 0.01 . 1 . . . . . 7 GLY H . 16136 1 33 . 1 1 7 7 GLY HA2 H 1 4.08 0.01 . 2 . . . . . 7 GLY HA2 . 16136 1 34 . 1 1 7 7 GLY HA3 H 1 4.22 0.01 . 2 . . . . . 7 GLY HA3 . 16136 1 35 . 1 1 7 7 GLY CA C 13 45.5 0.1 . 1 . . . . . 7 GLY CA . 16136 1 36 . 1 1 7 7 GLY N N 15 108.8 0.1 . 1 . . . . . 7 GLY N . 16136 1 37 . 1 1 8 8 PRO HA H 1 4.58 0.01 . 1 . . . . . 8 PRO HA . 16136 1 38 . 1 1 8 8 PRO HB2 H 1 1.92 0.01 . 2 . . . . . 8 PRO HB2 . 16136 1 39 . 1 1 8 8 PRO HB3 H 1 2.59 0.01 . 2 . . . . . 8 PRO HB3 . 16136 1 40 . 1 1 8 8 PRO HD2 H 1 3.67 0.01 . 2 . . . . . 8 PRO HD2 . 16136 1 41 . 1 1 8 8 PRO HD3 H 1 3.80 0.01 . 2 . . . . . 8 PRO HD3 . 16136 1 42 . 1 1 8 8 PRO HG2 H 1 2.02 0.01 . 2 . . . . . 8 PRO HG2 . 16136 1 43 . 1 1 8 8 PRO HG3 H 1 2.17 0.01 . 2 . . . . . 8 PRO HG3 . 16136 1 44 . 1 1 8 8 PRO CB C 13 33.3 0.1 . 1 . . . . . 8 PRO CB . 16136 1 45 . 1 1 8 8 PRO CD C 13 49.7 0.1 . 1 . . . . . 8 PRO CD . 16136 1 46 . 1 1 8 8 PRO CG C 13 28.2 0.1 . 1 . . . . . 8 PRO CG . 16136 1 47 . 1 1 9 9 CYS H H 1 8.66 0.01 . 1 . . . . . 9 CYS H . 16136 1 48 . 1 1 9 9 CYS HA H 1 4.82 0.01 . 1 . . . . . 9 CYS HA . 16136 1 49 . 1 1 9 9 CYS HB2 H 1 2.53 0.01 . 2 . . . . . 9 CYS HB2 . 16136 1 50 . 1 1 9 9 CYS HB3 H 1 3.85 0.01 . 2 . . . . . 9 CYS HB3 . 16136 1 51 . 1 1 9 9 CYS CA C 13 56.0 0.1 . 1 . . . . . 9 CYS CA . 16136 1 52 . 1 1 9 9 CYS CB C 13 40.7 0.1 . 1 . . . . . 9 CYS CB . 16136 1 53 . 1 1 9 9 CYS N N 15 112.7 0.1 . 1 . . . . . 9 CYS N . 16136 1 54 . 1 1 10 10 CYS H H 1 8.29 0.01 . 1 . . . . . 10 CYS H . 16136 1 55 . 1 1 10 10 CYS HA H 1 5.09 0.01 . 1 . . . . . 10 CYS HA . 16136 1 56 . 1 1 10 10 CYS HB2 H 1 2.43 0.01 . 2 . . . . . 10 CYS HB2 . 16136 1 57 . 1 1 10 10 CYS HB3 H 1 3.44 0.01 . 2 . . . . . 10 CYS HB3 . 16136 1 58 . 1 1 10 10 CYS CA C 13 54.5 0.1 . 1 . . . . . 10 CYS CA . 16136 1 59 . 1 1 10 10 CYS N N 15 118.4 0.1 . 1 . . . . . 10 CYS N . 16136 1 60 . 1 1 11 11 ARG H H 1 8.99 0.01 . 1 . . . . . 11 ARG H . 16136 1 61 . 1 1 11 11 ARG HA H 1 4.55 0.01 . 1 . . . . . 11 ARG HA . 16136 1 62 . 1 1 11 11 ARG HB2 H 1 1.73 0.01 . 2 . . . . . 11 ARG HB2 . 16136 1 63 . 1 1 11 11 ARG HD2 H 1 3.21 0.01 . 1 . . . . . 11 ARG HD2 . 16136 1 64 . 1 1 11 11 ARG HD3 H 1 3.21 0.01 . 1 . . . . . 11 ARG HD3 . 16136 1 65 . 1 1 11 11 ARG HE H 1 7.29 0.01 . 1 . . . . . 11 ARG HE . 16136 1 66 . 1 1 11 11 ARG HG2 H 1 1.42 0.01 . 2 . . . . . 11 ARG HG2 . 16136 1 67 . 1 1 11 11 ARG HG3 H 1 1.61 0.01 . 2 . . . . . 11 ARG HG3 . 16136 1 68 . 1 1 11 11 ARG CA C 13 55.5 0.1 . 1 . . . . . 11 ARG CA . 16136 1 69 . 1 1 11 11 ARG CD C 13 43.3 0.1 . 1 . . . . . 11 ARG CD . 16136 1 70 . 1 1 11 11 ARG CG C 13 27.2 0.1 . 1 . . . . . 11 ARG CG . 16136 1 71 . 1 1 11 11 ARG N N 15 122.1 0.1 . 1 . . . . . 11 ARG N . 16136 1 72 . 1 1 11 11 ARG NE N 15 109.3 0.1 . 1 . . . . . 11 ARG NE . 16136 1 73 . 1 1 12 12 GLN H H 1 9.64 0.01 . 1 . . . . . 12 GLN H . 16136 1 74 . 1 1 12 12 GLN HA H 1 3.87 0.01 . 1 . . . . . 12 GLN HA . 16136 1 75 . 1 1 12 12 GLN HB2 H 1 2.06 0.01 . 2 . . . . . 12 GLN HB2 . 16136 1 76 . 1 1 12 12 GLN HB3 H 1 2.22 0.01 . 2 . . . . . 12 GLN HB3 . 16136 1 77 . 1 1 12 12 GLN HE21 H 1 6.84 0.01 . 2 . . . . . 12 GLN HE21 . 16136 1 78 . 1 1 12 12 GLN HE22 H 1 7.51 0.01 . 2 . . . . . 12 GLN HE22 . 16136 1 79 . 1 1 12 12 GLN HG2 H 1 2.30 0.01 . 2 . . . . . 12 GLN HG2 . 16136 1 80 . 1 1 12 12 GLN HG3 H 1 2.37 0.01 . 2 . . . . . 12 GLN HG3 . 16136 1 81 . 1 1 12 12 GLN CA C 13 57.6 0.1 . 1 . . . . . 12 GLN CA . 16136 1 82 . 1 1 12 12 GLN CB C 13 26.6 0.1 . 1 . . . . . 12 GLN CB . 16136 1 83 . 1 1 12 12 GLN CG C 13 34.4 0.1 . 1 . . . . . 12 GLN CG . 16136 1 84 . 1 1 12 12 GLN N N 15 127.1 0.1 . 1 . . . . . 12 GLN N . 16136 1 85 . 1 1 12 12 GLN NE2 N 15 112.2 0.1 . 1 . . . . . 12 GLN NE2 . 16136 1 86 . 1 1 13 13 CYS H H 1 8.71 0.01 . 1 . . . . . 13 CYS H . 16136 1 87 . 1 1 13 13 CYS HA H 1 3.53 0.01 . 1 . . . . . 13 CYS HA . 16136 1 88 . 1 1 13 13 CYS HB2 H 1 3.29 0.01 . 1 . . . . . 13 CYS HB2 . 16136 1 89 . 1 1 13 13 CYS HB3 H 1 3.29 0.01 . 1 . . . . . 13 CYS HB3 . 16136 1 90 . 1 1 13 13 CYS N N 15 108.6 0.1 . 1 . . . . . 13 CYS N . 16136 1 91 . 1 1 14 14 LYS H H 1 7.99 0.01 . 1 . . . . . 14 LYS H . 16136 1 92 . 1 1 14 14 LYS HA H 1 4.59 0.01 . 1 . . . . . 14 LYS HA . 16136 1 93 . 1 1 14 14 LYS HB2 H 1 1.82 0.01 . 1 . . . . . 14 LYS HB2 . 16136 1 94 . 1 1 14 14 LYS HB3 H 1 1.82 0.01 . 1 . . . . . 14 LYS HB3 . 16136 1 95 . 1 1 14 14 LYS HD2 H 1 1.67 0.01 . 1 . . . . . 14 LYS HD2 . 16136 1 96 . 1 1 14 14 LYS HD3 H 1 1.67 0.01 . 1 . . . . . 14 LYS HD3 . 16136 1 97 . 1 1 14 14 LYS HE2 H 1 3.00 0.01 . 1 . . . . . 14 LYS HE2 . 16136 1 98 . 1 1 14 14 LYS HE3 H 1 3.00 0.01 . 1 . . . . . 14 LYS HE3 . 16136 1 99 . 1 1 14 14 LYS HG2 H 1 1.41 0.01 . 2 . . . . . 14 LYS HG2 . 16136 1 100 . 1 1 14 14 LYS HG3 H 1 1.45 0.01 . 2 . . . . . 14 LYS HG3 . 16136 1 101 . 1 1 14 14 LYS CA C 13 54.5 0.1 . 1 . . . . . 14 LYS CA . 16136 1 102 . 1 1 14 14 LYS CB C 13 34.0 0.1 . 1 . . . . . 14 LYS CB . 16136 1 103 . 1 1 14 14 LYS CD C 13 28.7 0.1 . 1 . . . . . 14 LYS CD . 16136 1 104 . 1 1 14 14 LYS CE C 13 42.0 0.1 . 1 . . . . . 14 LYS CE . 16136 1 105 . 1 1 14 14 LYS CG C 13 24.7 0.1 . 1 . . . . . 14 LYS CG . 16136 1 106 . 1 1 14 14 LYS N N 15 121.1 0.1 . 1 . . . . . 14 LYS N . 16136 1 107 . 1 1 15 15 LEU H H 1 8.55 0.01 . 1 . . . . . 15 LEU H . 16136 1 108 . 1 1 15 15 LEU HA H 1 4.21 0.01 . 1 . . . . . 15 LEU HA . 16136 1 109 . 1 1 15 15 LEU HB2 H 1 1.10 0.01 . 2 . . . . . 15 LEU HB2 . 16136 1 110 . 1 1 15 15 LEU HB3 H 1 1.56 0.01 . 2 . . . . . 15 LEU HB3 . 16136 1 111 . 1 1 15 15 LEU HD11 H 1 0.51 0.01 . 2 . . . . . 15 LEU MD1 . 16136 1 112 . 1 1 15 15 LEU HD12 H 1 0.51 0.01 . 2 . . . . . 15 LEU MD1 . 16136 1 113 . 1 1 15 15 LEU HD13 H 1 0.51 0.01 . 2 . . . . . 15 LEU MD1 . 16136 1 114 . 1 1 15 15 LEU HD21 H 1 0.82 0.01 . 2 . . . . . 15 LEU MD2 . 16136 1 115 . 1 1 15 15 LEU HD22 H 1 0.82 0.01 . 2 . . . . . 15 LEU MD2 . 16136 1 116 . 1 1 15 15 LEU HD23 H 1 0.82 0.01 . 2 . . . . . 15 LEU MD2 . 16136 1 117 . 1 1 15 15 LEU HG H 1 1.56 0.01 . 1 . . . . . 15 LEU HG . 16136 1 118 . 1 1 15 15 LEU CA C 13 56.1 0.1 . 1 . . . . . 15 LEU CA . 16136 1 119 . 1 1 15 15 LEU CB C 13 42.5 0.1 . 1 . . . . . 15 LEU CB . 16136 1 120 . 1 1 15 15 LEU CD1 C 13 24.4 0.1 . 2 . . . . . 15 LEU CD1 . 16136 1 121 . 1 1 15 15 LEU CD2 C 13 25.2 0.1 . 2 . . . . . 15 LEU CD2 . 16136 1 122 . 1 1 15 15 LEU CG C 13 27.2 0.1 . 1 . . . . . 15 LEU CG . 16136 1 123 . 1 1 15 15 LEU N N 15 125.0 0.1 . 1 . . . . . 15 LEU N . 16136 1 124 . 1 1 16 16 LYS H H 1 8.67 0.01 . 1 . . . . . 16 LYS H . 16136 1 125 . 1 1 16 16 LYS HA H 1 4.44 0.01 . 1 . . . . . 16 LYS HA . 16136 1 126 . 1 1 16 16 LYS HB2 H 1 1.68 0.01 . 2 . . . . . 16 LYS HB2 . 16136 1 127 . 1 1 16 16 LYS HB3 H 1 1.76 0.01 . 2 . . . . . 16 LYS HB3 . 16136 1 128 . 1 1 16 16 LYS HD2 H 1 1.69 0.01 . 2 . . . . . 16 LYS HD2 . 16136 1 129 . 1 1 16 16 LYS HD3 H 1 1.83 0.01 . 2 . . . . . 16 LYS HD3 . 16136 1 130 . 1 1 16 16 LYS HE2 H 1 2.69 0.01 . 2 . . . . . 16 LYS HE2 . 16136 1 131 . 1 1 16 16 LYS HE3 H 1 2.84 0.01 . 2 . . . . . 16 LYS HE3 . 16136 1 132 . 1 1 16 16 LYS HG2 H 1 1.03 0.01 . 2 . . . . . 16 LYS HG2 . 16136 1 133 . 1 1 16 16 LYS HG3 H 1 1.42 0.01 . 2 . . . . . 16 LYS HG3 . 16136 1 134 . 1 1 16 16 LYS CA C 13 55.2 0.1 . 1 . . . . . 16 LYS CA . 16136 1 135 . 1 1 16 16 LYS CB C 13 31.6 0.1 . 1 . . . . . 16 LYS CB . 16136 1 136 . 1 1 16 16 LYS CD C 13 30.4 0.1 . 1 . . . . . 16 LYS CD . 16136 1 137 . 1 1 16 16 LYS CE C 13 42.2 0.1 . 1 . . . . . 16 LYS CE . 16136 1 138 . 1 1 16 16 LYS CG C 13 26.8 0.1 . 1 . . . . . 16 LYS CG . 16136 1 139 . 1 1 16 16 LYS N N 15 123.8 0.1 . 1 . . . . . 16 LYS N . 16136 1 140 . 1 1 17 17 PRO HA H 1 4.38 0.01 . 1 . . . . . 17 PRO HA . 16136 1 141 . 1 1 17 17 PRO HB2 H 1 1.77 0.01 . 2 . . . . . 17 PRO HB2 . 16136 1 142 . 1 1 17 17 PRO HB3 H 1 2.33 0.01 . 2 . . . . . 17 PRO HB3 . 16136 1 143 . 1 1 17 17 PRO HD2 H 1 3.52 0.01 . 2 . . . . . 17 PRO HD2 . 16136 1 144 . 1 1 17 17 PRO HD3 H 1 3.78 0.01 . 2 . . . . . 17 PRO HD3 . 16136 1 145 . 1 1 17 17 PRO HG2 H 1 1.92 0.01 . 2 . . . . . 17 PRO HG2 . 16136 1 146 . 1 1 17 17 PRO HG3 H 1 2.01 0.01 . 2 . . . . . 17 PRO HG3 . 16136 1 147 . 1 1 17 17 PRO CA C 13 62.2 0.1 . 1 . . . . . 17 PRO CA . 16136 1 148 . 1 1 17 17 PRO CB C 13 32.6 0.1 . 1 . . . . . 17 PRO CB . 16136 1 149 . 1 1 17 17 PRO CD C 13 50.4 0.1 . 1 . . . . . 17 PRO CD . 16136 1 150 . 1 1 17 17 PRO CG C 13 27.5 0.1 . 1 . . . . . 17 PRO CG . 16136 1 151 . 1 1 18 18 ALA H H 1 8.86 0.01 . 1 . . . . . 18 ALA H . 16136 1 152 . 1 1 18 18 ALA HA H 1 3.84 0.01 . 1 . . . . . 18 ALA HA . 16136 1 153 . 1 1 18 18 ALA HB1 H 1 1.26 0.01 . 1 . . . . . 18 ALA MB . 16136 1 154 . 1 1 18 18 ALA HB2 H 1 1.26 0.01 . 1 . . . . . 18 ALA MB . 16136 1 155 . 1 1 18 18 ALA HB3 H 1 1.26 0.01 . 1 . . . . . 18 ALA MB . 16136 1 156 . 1 1 18 18 ALA CA C 13 52.8 0.1 . 1 . . . . . 18 ALA CA . 16136 1 157 . 1 1 18 18 ALA CB C 13 18.0 0.1 . 1 . . . . . 18 ALA CB . 16136 1 158 . 1 1 18 18 ALA N N 15 125.1 0.1 . 1 . . . . . 18 ALA N . 16136 1 159 . 1 1 19 19 GLY H H 1 8.40 0.01 . 1 . . . . . 19 GLY H . 16136 1 160 . 1 1 19 19 GLY HA2 H 1 3.42 0.01 . 2 . . . . . 19 GLY HA2 . 16136 1 161 . 1 1 19 19 GLY HA3 H 1 4.29 0.01 . 2 . . . . . 19 GLY HA3 . 16136 1 162 . 1 1 19 19 GLY CA C 13 45.0 0.1 . 1 . . . . . 19 GLY CA . 16136 1 163 . 1 1 19 19 GLY N N 15 109.5 0.1 . 1 . . . . . 19 GLY N . 16136 1 164 . 1 1 20 20 THR H H 1 7.49 0.01 . 1 . . . . . 20 THR H . 16136 1 165 . 1 1 20 20 THR HA H 1 4.18 0.01 . 1 . . . . . 20 THR HA . 16136 1 166 . 1 1 20 20 THR HB H 1 3.73 0.01 . 1 . . . . . 20 THR HB . 16136 1 167 . 1 1 20 20 THR HG21 H 1 1.33 0.01 . 1 . . . . . 20 THR MG . 16136 1 168 . 1 1 20 20 THR HG22 H 1 1.33 0.01 . 1 . . . . . 20 THR MG . 16136 1 169 . 1 1 20 20 THR HG23 H 1 1.33 0.01 . 1 . . . . . 20 THR MG . 16136 1 170 . 1 1 20 20 THR CA C 13 63.7 0.1 . 1 . . . . . 20 THR CA . 16136 1 171 . 1 1 20 20 THR CB C 13 69.8 0.1 . 1 . . . . . 20 THR CB . 16136 1 172 . 1 1 20 20 THR CG2 C 13 21.7 0.1 . 1 . . . . . 20 THR CG2 . 16136 1 173 . 1 1 20 20 THR N N 15 117.0 0.1 . 1 . . . . . 20 THR N . 16136 1 174 . 1 1 21 21 THR H H 1 9.14 0.01 . 1 . . . . . 21 THR H . 16136 1 175 . 1 1 21 21 THR HA H 1 4.31 0.01 . 1 . . . . . 21 THR HA . 16136 1 176 . 1 1 21 21 THR HB H 1 4.07 0.01 . 1 . . . . . 21 THR HB . 16136 1 177 . 1 1 21 21 THR HG21 H 1 1.12 0.01 . 1 . . . . . 21 THR MG . 16136 1 178 . 1 1 21 21 THR HG22 H 1 1.12 0.01 . 1 . . . . . 21 THR MG . 16136 1 179 . 1 1 21 21 THR HG23 H 1 1.12 0.01 . 1 . . . . . 21 THR MG . 16136 1 180 . 1 1 21 21 THR CA C 13 64.7 0.1 . 1 . . . . . 21 THR CA . 16136 1 181 . 1 1 21 21 THR CB C 13 69.0 0.1 . 1 . . . . . 21 THR CB . 16136 1 182 . 1 1 21 21 THR CG2 C 13 22.0 0.1 . 1 . . . . . 21 THR CG2 . 16136 1 183 . 1 1 21 21 THR N N 15 125.2 0.1 . 1 . . . . . 21 THR N . 16136 1 184 . 1 1 22 22 CYS H H 1 8.98 0.01 . 1 . . . . . 22 CYS H . 16136 1 185 . 1 1 22 22 CYS HA H 1 4.94 0.01 . 1 . . . . . 22 CYS HA . 16136 1 186 . 1 1 22 22 CYS HB2 H 1 2.88 0.01 . 2 . . . . . 22 CYS HB2 . 16136 1 187 . 1 1 22 22 CYS HB3 H 1 3.06 0.01 . 2 . . . . . 22 CYS HB3 . 16136 1 188 . 1 1 22 22 CYS CA C 13 54.7 0.1 . 1 . . . . . 22 CYS CA . 16136 1 189 . 1 1 22 22 CYS CB C 13 43.9 0.1 . 1 . . . . . 22 CYS CB . 16136 1 190 . 1 1 22 22 CYS N N 15 121.1 0.1 . 1 . . . . . 22 CYS N . 16136 1 191 . 1 1 23 23 TRP H H 1 8.03 0.01 . 1 . . . . . 23 TRP H . 16136 1 192 . 1 1 23 23 TRP HA H 1 4.71 0.01 . 1 . . . . . 23 TRP HA . 16136 1 193 . 1 1 23 23 TRP HB2 H 1 2.76 0.01 . 2 . . . . . 23 TRP HB2 . 16136 1 194 . 1 1 23 23 TRP HB3 H 1 3.32 0.01 . 2 . . . . . 23 TRP HB3 . 16136 1 195 . 1 1 23 23 TRP HD1 H 1 6.91 0.01 . 1 . . . . . 23 TRP HD1 . 16136 1 196 . 1 1 23 23 TRP HE1 H 1 9.99 0.01 . 1 . . . . . 23 TRP HE1 . 16136 1 197 . 1 1 23 23 TRP HH2 H 1 7.11 0.01 . 1 . . . . . 23 TRP HH2 . 16136 1 198 . 1 1 23 23 TRP HZ2 H 1 7.36 0.01 . 1 . . . . . 23 TRP HZ2 . 16136 1 199 . 1 1 23 23 TRP HZ3 H 1 6.81 0.01 . 1 . . . . . 23 TRP HZ3 . 16136 1 200 . 1 1 23 23 TRP CA C 13 57.5 0.1 . 1 . . . . . 23 TRP CA . 16136 1 201 . 1 1 23 23 TRP N N 15 123.1 0.1 . 1 . . . . . 23 TRP N . 16136 1 202 . 1 1 23 23 TRP NE1 N 15 129.3 0.1 . 1 . . . . . 23 TRP NE1 . 16136 1 203 . 1 1 24 24 ARG H H 1 8.08 0.01 . 1 . . . . . 24 ARG H . 16136 1 204 . 1 1 24 24 ARG HA H 1 4.62 0.01 . 1 . . . . . 24 ARG HA . 16136 1 205 . 1 1 24 24 ARG HB2 H 1 1.55 0.01 . 2 . . . . . 24 ARG HB2 . 16136 1 206 . 1 1 24 24 ARG HB3 H 1 1.66 0.01 . 2 . . . . . 24 ARG HB3 . 16136 1 207 . 1 1 24 24 ARG HD2 H 1 3.01 0.01 . 2 . . . . . 24 ARG HD2 . 16136 1 208 . 1 1 24 24 ARG HD3 H 1 3.05 0.01 . 2 . . . . . 24 ARG HD3 . 16136 1 209 . 1 1 24 24 ARG HE H 1 7.04 0.01 . 1 . . . . . 24 ARG HE . 16136 1 210 . 1 1 24 24 ARG HG2 H 1 1.41 0.01 . 2 . . . . . 24 ARG HG2 . 16136 1 211 . 1 1 24 24 ARG HG3 H 1 1.44 0.01 . 2 . . . . . 24 ARG HG3 . 16136 1 212 . 1 1 24 24 ARG CB C 13 32.4 0.1 . 1 . . . . . 24 ARG CB . 16136 1 213 . 1 1 24 24 ARG CD C 13 43.3 0.1 . 1 . . . . . 24 ARG CD . 16136 1 214 . 1 1 24 24 ARG CG C 13 26.8 0.1 . 1 . . . . . 24 ARG CG . 16136 1 215 . 1 1 24 24 ARG N N 15 125.6 0.1 . 1 . . . . . 24 ARG N . 16136 1 216 . 1 1 24 24 ARG NE N 15 109.6 0.1 . 1 . . . . . 24 ARG NE . 16136 1 217 . 1 1 25 25 THR H H 1 8.28 0.01 . 1 . . . . . 25 THR H . 16136 1 218 . 1 1 25 25 THR HA H 1 4.47 0.01 . 1 . . . . . 25 THR HA . 16136 1 219 . 1 1 25 25 THR HB H 1 4.49 0.01 . 1 . . . . . 25 THR HB . 16136 1 220 . 1 1 25 25 THR HG21 H 1 0.93 0.01 . 1 . . . . . 25 THR MG . 16136 1 221 . 1 1 25 25 THR HG22 H 1 0.93 0.01 . 1 . . . . . 25 THR MG . 16136 1 222 . 1 1 25 25 THR HG23 H 1 0.93 0.01 . 1 . . . . . 25 THR MG . 16136 1 223 . 1 1 25 25 THR CA C 13 59.9 0.1 . 1 . . . . . 25 THR CA . 16136 1 224 . 1 1 25 25 THR CG2 C 13 21.4 0.1 . 1 . . . . . 25 THR CG2 . 16136 1 225 . 1 1 25 25 THR N N 15 114.5 0.1 . 1 . . . . . 25 THR N . 16136 1 226 . 1 1 26 26 SER H H 1 8.57 0.01 . 1 . . . . . 26 SER H . 16136 1 227 . 1 1 26 26 SER HA H 1 4.18 0.01 . 1 . . . . . 26 SER HA . 16136 1 228 . 1 1 26 26 SER HB2 H 1 3.92 0.01 . 1 . . . . . 26 SER HB2 . 16136 1 229 . 1 1 26 26 SER HB3 H 1 3.92 0.01 . 1 . . . . . 26 SER HB3 . 16136 1 230 . 1 1 26 26 SER CA C 13 60.4 0.1 . 1 . . . . . 26 SER CA . 16136 1 231 . 1 1 26 26 SER CB C 13 62.9 0.1 . 1 . . . . . 26 SER CB . 16136 1 232 . 1 1 26 26 SER N N 15 114.2 0.1 . 1 . . . . . 26 SER N . 16136 1 233 . 1 1 27 27 VAL H H 1 7.68 0.01 . 1 . . . . . 27 VAL H . 16136 1 234 . 1 1 27 27 VAL HA H 1 4.32 0.01 . 1 . . . . . 27 VAL HA . 16136 1 235 . 1 1 27 27 VAL HB H 1 2.17 0.01 . 1 . . . . . 27 VAL HB . 16136 1 236 . 1 1 27 27 VAL HG11 H 1 0.85 0.01 . 2 . . . . . 27 VAL MG1 . 16136 1 237 . 1 1 27 27 VAL HG12 H 1 0.85 0.01 . 2 . . . . . 27 VAL MG1 . 16136 1 238 . 1 1 27 27 VAL HG13 H 1 0.85 0.01 . 2 . . . . . 27 VAL MG1 . 16136 1 239 . 1 1 27 27 VAL HG21 H 1 0.88 0.01 . 2 . . . . . 27 VAL MG2 . 16136 1 240 . 1 1 27 27 VAL HG22 H 1 0.88 0.01 . 2 . . . . . 27 VAL MG2 . 16136 1 241 . 1 1 27 27 VAL HG23 H 1 0.88 0.01 . 2 . . . . . 27 VAL MG2 . 16136 1 242 . 1 1 27 27 VAL CA C 13 62.6 0.1 . 1 . . . . . 27 VAL CA . 16136 1 243 . 1 1 27 27 VAL CB C 13 33.3 0.1 . 1 . . . . . 27 VAL CB . 16136 1 244 . 1 1 27 27 VAL CG1 C 13 19.5 0.1 . 2 . . . . . 27 VAL CG1 . 16136 1 245 . 1 1 27 27 VAL CG2 C 13 21.2 0.1 . 2 . . . . . 27 VAL CG2 . 16136 1 246 . 1 1 27 27 VAL N N 15 114.2 0.1 . 1 . . . . . 27 VAL N . 16136 1 247 . 1 1 28 28 SER H H 1 7.54 0.01 . 1 . . . . . 28 SER H . 16136 1 248 . 1 1 28 28 SER HA H 1 4.71 0.01 . 1 . . . . . 28 SER HA . 16136 1 249 . 1 1 28 28 SER HB2 H 1 3.75 0.01 . 2 . . . . . 28 SER HB2 . 16136 1 250 . 1 1 28 28 SER HB3 H 1 3.78 0.01 . 2 . . . . . 28 SER HB3 . 16136 1 251 . 1 1 28 28 SER CA C 13 57.5 0.1 . 1 . . . . . 28 SER CA . 16136 1 252 . 1 1 28 28 SER CB C 13 65.1 0.1 . 1 . . . . . 28 SER CB . 16136 1 253 . 1 1 28 28 SER N N 15 115.5 0.1 . 1 . . . . . 28 SER N . 16136 1 254 . 1 1 29 29 SER H H 1 8.33 0.01 . 1 . . . . . 29 SER H . 16136 1 255 . 1 1 29 29 SER HA H 1 4.91 0.01 . 1 . . . . . 29 SER HA . 16136 1 256 . 1 1 29 29 SER HB2 H 1 3.31 0.01 . 2 . . . . . 29 SER HB2 . 16136 1 257 . 1 1 29 29 SER HB3 H 1 3.49 0.01 . 2 . . . . . 29 SER HB3 . 16136 1 258 . 1 1 29 29 SER N N 15 117.2 0.1 . 1 . . . . . 29 SER N . 16136 1 259 . 1 1 30 30 HIS H H 1 8.73 0.01 . 1 . . . . . 30 HIS H . 16136 1 260 . 1 1 30 30 HIS HA H 1 4.85 0.01 . 1 . . . . . 30 HIS HA . 16136 1 261 . 1 1 30 30 HIS HB2 H 1 2.97 0.01 . 2 . . . . . 30 HIS HB2 . 16136 1 262 . 1 1 30 30 HIS HB3 H 1 3.12 0.01 . 2 . . . . . 30 HIS HB3 . 16136 1 263 . 1 1 30 30 HIS HD2 H 1 6.95 0.01 . 1 . . . . . 30 HIS HD2 . 16136 1 264 . 1 1 30 30 HIS HE1 H 1 8.11 0.01 . 1 . . . . . 30 HIS HE1 . 16136 1 265 . 1 1 30 30 HIS CB C 13 32.4 0.1 . 1 . . . . . 30 HIS CB . 16136 1 266 . 1 1 30 30 HIS N N 15 119.8 0.1 . 1 . . . . . 30 HIS N . 16136 1 267 . 1 1 31 31 TYR H H 1 8.61 0.01 . 1 . . . . . 31 TYR H . 16136 1 268 . 1 1 31 31 TYR HA H 1 5.30 0.01 . 1 . . . . . 31 TYR HA . 16136 1 269 . 1 1 31 31 TYR HB2 H 1 2.64 0.01 . 2 . . . . . 31 TYR HB2 . 16136 1 270 . 1 1 31 31 TYR HB3 H 1 2.70 0.01 . 2 . . . . . 31 TYR HB3 . 16136 1 271 . 1 1 31 31 TYR HD1 H 1 6.93 0.01 . 1 . . . . . 31 TYR HD1 . 16136 1 272 . 1 1 31 31 TYR HD2 H 1 6.93 0.01 . 1 . . . . . 31 TYR HD2 . 16136 1 273 . 1 1 31 31 TYR HE1 H 1 6.74 0.01 . 1 . . . . . 31 TYR HE1 . 16136 1 274 . 1 1 31 31 TYR HE2 H 1 6.74 0.01 . 1 . . . . . 31 TYR HE2 . 16136 1 275 . 1 1 31 31 TYR CA C 13 56.5 0.1 . 1 . . . . . 31 TYR CA . 16136 1 276 . 1 1 31 31 TYR CB C 13 42.2 0.1 . 1 . . . . . 31 TYR CB . 16136 1 277 . 1 1 31 31 TYR N N 15 120.0 0.1 . 1 . . . . . 31 TYR N . 16136 1 278 . 1 1 32 32 CYS H H 1 9.43 0.01 . 1 . . . . . 32 CYS H . 16136 1 279 . 1 1 32 32 CYS HA H 1 4.87 0.01 . 1 . . . . . 32 CYS HA . 16136 1 280 . 1 1 32 32 CYS HB2 H 1 2.61 0.01 . 2 . . . . . 32 CYS HB2 . 16136 1 281 . 1 1 32 32 CYS HB3 H 1 3.90 0.01 . 2 . . . . . 32 CYS HB3 . 16136 1 282 . 1 1 32 32 CYS CA C 13 53.7 0.1 . 1 . . . . . 32 CYS CA . 16136 1 283 . 1 1 32 32 CYS CB C 13 37.6 0.1 . 1 . . . . . 32 CYS CB . 16136 1 284 . 1 1 32 32 CYS N N 15 120.0 0.1 . 1 . . . . . 32 CYS N . 16136 1 285 . 1 1 33 33 THR H H 1 10.00 0.01 . 1 . . . . . 33 THR H . 16136 1 286 . 1 1 33 33 THR HA H 1 4.47 0.01 . 1 . . . . . 33 THR HA . 16136 1 287 . 1 1 33 33 THR HB H 1 4.51 0.01 . 1 . . . . . 33 THR HB . 16136 1 288 . 1 1 33 33 THR HG1 H 1 5.77 0.01 . 1 . . . . . 33 THR HG1 . 16136 1 289 . 1 1 33 33 THR HG21 H 1 1.44 0.01 . 1 . . . . . 33 THR MG . 16136 1 290 . 1 1 33 33 THR HG22 H 1 1.44 0.01 . 1 . . . . . 33 THR MG . 16136 1 291 . 1 1 33 33 THR HG23 H 1 1.44 0.01 . 1 . . . . . 33 THR MG . 16136 1 292 . 1 1 33 33 THR CA C 13 62.4 0.1 . 1 . . . . . 33 THR CA . 16136 1 293 . 1 1 33 33 THR CB C 13 71.5 0.1 . 1 . . . . . 33 THR CB . 16136 1 294 . 1 1 33 33 THR CG2 C 13 21.4 0.1 . 1 . . . . . 33 THR CG2 . 16136 1 295 . 1 1 33 33 THR N N 15 112.6 0.1 . 1 . . . . . 33 THR N . 16136 1 296 . 1 1 34 34 GLY H H 1 8.34 0.01 . 1 . . . . . 34 GLY H . 16136 1 297 . 1 1 34 34 GLY HA2 H 1 4.17 0.01 . 2 . . . . . 34 GLY HA2 . 16136 1 298 . 1 1 34 34 GLY HA3 H 1 4.38 0.01 . 2 . . . . . 34 GLY HA3 . 16136 1 299 . 1 1 34 34 GLY CA C 13 45.6 0.1 . 1 . . . . . 34 GLY CA . 16136 1 300 . 1 1 34 34 GLY N N 15 110.7 0.1 . 1 . . . . . 34 GLY N . 16136 1 301 . 1 1 35 35 ARG H H 1 8.15 0.01 . 1 . . . . . 35 ARG H . 16136 1 302 . 1 1 35 35 ARG HA H 1 4.58 0.01 . 1 . . . . . 35 ARG HA . 16136 1 303 . 1 1 35 35 ARG HB2 H 1 1.63 0.01 . 2 . . . . . 35 ARG HB2 . 16136 1 304 . 1 1 35 35 ARG HB3 H 1 1.98 0.01 . 2 . . . . . 35 ARG HB3 . 16136 1 305 . 1 1 35 35 ARG HD2 H 1 3.17 0.01 . 2 . . . . . 35 ARG HD2 . 16136 1 306 . 1 1 35 35 ARG HD3 H 1 3.21 0.01 . 2 . . . . . 35 ARG HD3 . 16136 1 307 . 1 1 35 35 ARG HE H 1 7.21 0.01 . 1 . . . . . 35 ARG HE . 16136 1 308 . 1 1 35 35 ARG HG2 H 1 1.51 0.01 . 1 . . . . . 35 ARG HG2 . 16136 1 309 . 1 1 35 35 ARG HG3 H 1 1.51 0.01 . 1 . . . . . 35 ARG HG3 . 16136 1 310 . 1 1 35 35 ARG CA C 13 55.5 0.1 . 1 . . . . . 35 ARG CA . 16136 1 311 . 1 1 35 35 ARG CB C 13 32.3 0.1 . 1 . . . . . 35 ARG CB . 16136 1 312 . 1 1 35 35 ARG CD C 13 43.0 0.1 . 1 . . . . . 35 ARG CD . 16136 1 313 . 1 1 35 35 ARG CG C 13 27.1 0.1 . 1 . . . . . 35 ARG CG . 16136 1 314 . 1 1 35 35 ARG N N 15 114.6 0.1 . 1 . . . . . 35 ARG N . 16136 1 315 . 1 1 35 35 ARG NE N 15 109.9 0.1 . 1 . . . . . 35 ARG NE . 16136 1 316 . 1 1 36 36 SER H H 1 7.16 0.01 . 1 . . . . . 36 SER H . 16136 1 317 . 1 1 36 36 SER HA H 1 4.63 0.01 . 1 . . . . . 36 SER HA . 16136 1 318 . 1 1 36 36 SER HB2 H 1 3.69 0.01 . 2 . . . . . 36 SER HB2 . 16136 1 319 . 1 1 36 36 SER HB3 H 1 4.06 0.01 . 2 . . . . . 36 SER HB3 . 16136 1 320 . 1 1 36 36 SER CA C 13 56.3 0.1 . 1 . . . . . 36 SER CA . 16136 1 321 . 1 1 36 36 SER CB C 13 64.8 0.1 . 1 . . . . . 36 SER CB . 16136 1 322 . 1 1 36 36 SER N N 15 112.6 0.1 . 1 . . . . . 36 SER N . 16136 1 323 . 1 1 37 37 CYS H H 1 9.12 0.01 . 1 . . . . . 37 CYS H . 16136 1 324 . 1 1 37 37 CYS HA H 1 4.43 0.01 . 1 . . . . . 37 CYS HA . 16136 1 325 . 1 1 37 37 CYS HB2 H 1 2.64 0.01 . 2 . . . . . 37 CYS HB2 . 16136 1 326 . 1 1 37 37 CYS HB3 H 1 2.82 0.01 . 2 . . . . . 37 CYS HB3 . 16136 1 327 . 1 1 37 37 CYS N N 15 118.8 0.1 . 1 . . . . . 37 CYS N . 16136 1 328 . 1 1 38 38 GLU H H 1 8.46 0.01 . 1 . . . . . 38 GLU H . 16136 1 329 . 1 1 38 38 GLU HA H 1 4.24 0.01 . 1 . . . . . 38 GLU HA . 16136 1 330 . 1 1 38 38 GLU HB2 H 1 1.83 0.01 . 2 . . . . . 38 GLU HB2 . 16136 1 331 . 1 1 38 38 GLU HB3 H 1 1.87 0.01 . 2 . . . . . 38 GLU HB3 . 16136 1 332 . 1 1 38 38 GLU HG2 H 1 2.09 0.01 . 2 . . . . . 38 GLU HG2 . 16136 1 333 . 1 1 38 38 GLU HG3 H 1 2.18 0.01 . 2 . . . . . 38 GLU HG3 . 16136 1 334 . 1 1 38 38 GLU CA C 13 56.2 0.1 . 1 . . . . . 38 GLU CA . 16136 1 335 . 1 1 38 38 GLU CB C 13 30.2 0.1 . 1 . . . . . 38 GLU CB . 16136 1 336 . 1 1 38 38 GLU CG C 13 36.0 0.1 . 1 . . . . . 38 GLU CG . 16136 1 337 . 1 1 38 38 GLU N N 15 122.4 0.1 . 1 . . . . . 38 GLU N . 16136 1 338 . 1 1 39 39 CYS H H 1 9.09 0.01 . 1 . . . . . 39 CYS H . 16136 1 339 . 1 1 39 39 CYS HA H 1 5.34 0.01 . 1 . . . . . 39 CYS HA . 16136 1 340 . 1 1 39 39 CYS HB2 H 1 2.65 0.01 . 2 . . . . . 39 CYS HB2 . 16136 1 341 . 1 1 39 39 CYS HB3 H 1 2.86 0.01 . 2 . . . . . 39 CYS HB3 . 16136 1 342 . 1 1 39 39 CYS CA C 13 51.6 0.1 . 1 . . . . . 39 CYS CA . 16136 1 343 . 1 1 39 39 CYS CB C 13 39.1 0.1 . 1 . . . . . 39 CYS CB . 16136 1 344 . 1 1 39 39 CYS N N 15 124.2 0.1 . 1 . . . . . 39 CYS N . 16136 1 345 . 1 1 40 40 PRO HA H 1 4.24 0.01 . 1 . . . . . 40 PRO HA . 16136 1 346 . 1 1 40 40 PRO HB2 H 1 1.67 0.01 . 2 . . . . . 40 PRO HB2 . 16136 1 347 . 1 1 40 40 PRO HB3 H 1 2.07 0.01 . 2 . . . . . 40 PRO HB3 . 16136 1 348 . 1 1 40 40 PRO HD2 H 1 3.52 0.01 . 2 . . . . . 40 PRO HD2 . 16136 1 349 . 1 1 40 40 PRO HD3 H 1 4.01 0.01 . 2 . . . . . 40 PRO HD3 . 16136 1 350 . 1 1 40 40 PRO HG2 H 1 2.01 0.01 . 2 . . . . . 40 PRO HG2 . 16136 1 351 . 1 1 40 40 PRO HG3 H 1 2.21 0.01 . 2 . . . . . 40 PRO HG3 . 16136 1 352 . 1 1 40 40 PRO CA C 13 63.7 0.1 . 1 . . . . . 40 PRO CA . 16136 1 353 . 1 1 40 40 PRO CB C 13 32.2 0.1 . 1 . . . . . 40 PRO CB . 16136 1 354 . 1 1 40 40 PRO CD C 13 52.2 0.1 . 1 . . . . . 40 PRO CD . 16136 1 355 . 1 1 40 40 PRO CG C 13 28.1 0.1 . 1 . . . . . 40 PRO CG . 16136 1 356 . 1 1 41 41 SER H H 1 8.35 0.01 . 1 . . . . . 41 SER H . 16136 1 357 . 1 1 41 41 SER HA H 1 3.86 0.01 . 1 . . . . . 41 SER HA . 16136 1 358 . 1 1 41 41 SER HB2 H 1 3.60 0.01 . 2 . . . . . 41 SER HB2 . 16136 1 359 . 1 1 41 41 SER HB3 H 1 3.65 0.01 . 2 . . . . . 41 SER HB3 . 16136 1 360 . 1 1 41 41 SER CA C 13 58.5 0.1 . 1 . . . . . 41 SER CA . 16136 1 361 . 1 1 41 41 SER CB C 13 63.4 0.1 . 1 . . . . . 41 SER CB . 16136 1 362 . 1 1 41 41 SER N N 15 115.4 0.1 . 1 . . . . . 41 SER N . 16136 1 363 . 1 1 42 42 TYR H H 1 7.46 0.01 . 1 . . . . . 42 TYR H . 16136 1 364 . 1 1 42 42 TYR HA H 1 4.69 0.01 . 1 . . . . . 42 TYR HA . 16136 1 365 . 1 1 42 42 TYR HB2 H 1 2.77 0.01 . 2 . . . . . 42 TYR HB2 . 16136 1 366 . 1 1 42 42 TYR HB3 H 1 2.94 0.01 . 2 . . . . . 42 TYR HB3 . 16136 1 367 . 1 1 42 42 TYR HD1 H 1 6.96 0.01 . 1 . . . . . 42 TYR HD1 . 16136 1 368 . 1 1 42 42 TYR HD2 H 1 6.96 0.01 . 1 . . . . . 42 TYR HD2 . 16136 1 369 . 1 1 42 42 TYR HE1 H 1 6.73 0.01 . 1 . . . . . 42 TYR HE1 . 16136 1 370 . 1 1 42 42 TYR HE2 H 1 6.73 0.01 . 1 . . . . . 42 TYR HE2 . 16136 1 371 . 1 1 42 42 TYR CA C 13 54.3 0.1 . 1 . . . . . 42 TYR CA . 16136 1 372 . 1 1 42 42 TYR CB C 13 38.4 0.1 . 1 . . . . . 42 TYR CB . 16136 1 373 . 1 1 42 42 TYR N N 15 121.1 0.1 . 1 . . . . . 42 TYR N . 16136 1 374 . 1 1 43 43 PRO HA H 1 4.30 0.01 . 1 . . . . . 43 PRO HA . 16136 1 375 . 1 1 43 43 PRO HB2 H 1 1.92 0.01 . 2 . . . . . 43 PRO HB2 . 16136 1 376 . 1 1 43 43 PRO HB3 H 1 2.13 0.01 . 2 . . . . . 43 PRO HB3 . 16136 1 377 . 1 1 43 43 PRO HD2 H 1 3.38 0.01 . 2 . . . . . 43 PRO HD2 . 16136 1 378 . 1 1 43 43 PRO HD3 H 1 3.59 0.01 . 2 . . . . . 43 PRO HD3 . 16136 1 379 . 1 1 43 43 PRO HG2 H 1 1.93 0.01 . 1 . . . . . 43 PRO HG2 . 16136 1 380 . 1 1 43 43 PRO HG3 H 1 1.93 0.01 . 1 . . . . . 43 PRO HG3 . 16136 1 381 . 1 1 43 43 PRO CA C 13 63.1 0.1 . 1 . . . . . 43 PRO CA . 16136 1 382 . 1 1 43 43 PRO CB C 13 32.1 0.1 . 1 . . . . . 43 PRO CB . 16136 1 383 . 1 1 43 43 PRO CD C 13 50.4 0.1 . 1 . . . . . 43 PRO CD . 16136 1 384 . 1 1 43 43 PRO CG C 13 27.0 0.1 . 1 . . . . . 43 PRO CG . 16136 1 385 . 1 1 44 44 GLY H H 1 7.95 0.01 . 1 . . . . . 44 GLY H . 16136 1 386 . 1 1 44 44 GLY HA2 H 1 3.93 0.01 . 2 . . . . . 44 GLY HA2 . 16136 1 387 . 1 1 44 44 GLY HA3 H 1 3.98 0.01 . 2 . . . . . 44 GLY HA3 . 16136 1 388 . 1 1 44 44 GLY CA C 13 45.2 0.1 . 1 . . . . . 44 GLY CA . 16136 1 389 . 1 1 44 44 GLY N N 15 108.1 0.1 . 1 . . . . . 44 GLY N . 16136 1 390 . 1 1 45 45 ASN H H 1 8.33 0.01 . 1 . . . . . 45 ASN H . 16136 1 391 . 1 1 45 45 ASN HA H 1 4.79 0.01 . 1 . . . . . 45 ASN HA . 16136 1 392 . 1 1 45 45 ASN HB2 H 1 2.67 0.01 . 2 . . . . . 45 ASN HB2 . 16136 1 393 . 1 1 45 45 ASN HB3 H 1 2.80 0.01 . 2 . . . . . 45 ASN HB3 . 16136 1 394 . 1 1 45 45 ASN HD21 H 1 6.83 0.01 . 2 . . . . . 45 ASN HD21 . 16136 1 395 . 1 1 45 45 ASN HD22 H 1 7.53 0.01 . 2 . . . . . 45 ASN HD22 . 16136 1 396 . 1 1 45 45 ASN CA C 13 53.1 0.1 . 1 . . . . . 45 ASN CA . 16136 1 397 . 1 1 45 45 ASN CB C 13 39.4 0.1 . 1 . . . . . 45 ASN CB . 16136 1 398 . 1 1 45 45 ASN N N 15 118.9 0.1 . 1 . . . . . 45 ASN N . 16136 1 399 . 1 1 45 45 ASN ND2 N 15 112.7 0.1 . 1 . . . . . 45 ASN ND2 . 16136 1 400 . 1 1 46 46 GLY H H 1 8.03 0.01 . 1 . . . . . 46 GLY H . 16136 1 401 . 1 1 46 46 GLY HA2 H 1 3.66 0.01 . 2 . . . . . 46 GLY HA2 . 16136 1 402 . 1 1 46 46 GLY HA3 H 1 3.71 0.01 . 2 . . . . . 46 GLY HA3 . 16136 1 403 . 1 1 46 46 GLY CA C 13 46.1 0.1 . 1 . . . . . 46 GLY CA . 16136 1 404 . 1 1 46 46 GLY N N 15 115.4 0.1 . 1 . . . . . 46 GLY N . 16136 1 stop_ save_