data_25744 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25744 _Entry.Title ; NMR structure and dynamics of the resuscitation promoting factor RpfC catalytic domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-07 _Entry.Accession_date 2015-08-07 _Entry.Last_release_date 2015-11-17 _Entry.Original_release_date 2015-11-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Vincenzo Maione . . . . 25744 2 Luigi Russo . . . . 25744 3 Carla Isernia . . . . 25744 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25744 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 25744 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25744 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 25744 '15N chemical shifts' 72 25744 '1H chemical shifts' 450 25744 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 . . 2016-08-05 2015-08-07 update BMRB 'update entry citation' 25744 1 . . 2015-11-17 2015-08-07 original author 'original release' 25744 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N5Z 'BMRB Entry Tracking System' 25744 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25744 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26576056 _Citation.Full_citation . _Citation.Title ; NMR Structure and Dynamics of the Resuscitation Promoting Factor RpfC Catalytic Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 11 _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 e0142807 _Citation.Page_last e0142807 _Citation.Year 2015 _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 Vincenzo Maione . . . . 25744 1 2 Alessia Ruggiero . . . . 25744 1 3 Luigi Russo . . . . 25744 1 4 Alfonso 'De Simone' . . . . 25744 1 5 Paolo Pedone . Vincenzo . . 25744 1 6 Gaetano Malgieri . . . . 25744 1 7 Rita Berisio . . . . 25744 1 8 Carla Isernia . . . . 25744 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25744 _Assembly.ID 1 _Assembly.Name RpfC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 $entity A . yes native no no . . . 25744 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_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_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 15 15 SG . 1 . 1 CYS 76 76 SG . . . . . . . . . . 25744 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25744 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GAMGPSPNWDAVAQCESGGN WAANTGNGKYGGLQFKPATW AAFGGVGNPAAASREQQIAV ANRVLAEQGLDAWPTCGAAS GL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8180.004 _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 . GLY . 25744 1 2 . ALA . 25744 1 3 . MET . 25744 1 4 . GLY . 25744 1 5 . PRO . 25744 1 6 . SER . 25744 1 7 . PRO . 25744 1 8 . ASN . 25744 1 9 . TRP . 25744 1 10 . ASP . 25744 1 11 . ALA . 25744 1 12 . VAL . 25744 1 13 . ALA . 25744 1 14 . GLN . 25744 1 15 . CYS . 25744 1 16 . GLU . 25744 1 17 . SER . 25744 1 18 . GLY . 25744 1 19 . GLY . 25744 1 20 . ASN . 25744 1 21 . TRP . 25744 1 22 . ALA . 25744 1 23 . ALA . 25744 1 24 . ASN . 25744 1 25 . THR . 25744 1 26 . GLY . 25744 1 27 . ASN . 25744 1 28 . GLY . 25744 1 29 . LYS . 25744 1 30 . TYR . 25744 1 31 . GLY . 25744 1 32 . GLY . 25744 1 33 . LEU . 25744 1 34 . GLN . 25744 1 35 . PHE . 25744 1 36 . LYS . 25744 1 37 . PRO . 25744 1 38 . ALA . 25744 1 39 . THR . 25744 1 40 . TRP . 25744 1 41 . ALA . 25744 1 42 . ALA . 25744 1 43 . PHE . 25744 1 44 . GLY . 25744 1 45 . GLY . 25744 1 46 . VAL . 25744 1 47 . GLY . 25744 1 48 . ASN . 25744 1 49 . PRO . 25744 1 50 . ALA . 25744 1 51 . ALA . 25744 1 52 . ALA . 25744 1 53 . SER . 25744 1 54 . ARG . 25744 1 55 . GLU . 25744 1 56 . GLN . 25744 1 57 . GLN . 25744 1 58 . ILE . 25744 1 59 . ALA . 25744 1 60 . VAL . 25744 1 61 . ALA . 25744 1 62 . ASN . 25744 1 63 . ARG . 25744 1 64 . VAL . 25744 1 65 . LEU . 25744 1 66 . ALA . 25744 1 67 . GLU . 25744 1 68 . GLN . 25744 1 69 . GLY . 25744 1 70 . LEU . 25744 1 71 . ASP . 25744 1 72 . ALA . 25744 1 73 . TRP . 25744 1 74 . PRO . 25744 1 75 . THR . 25744 1 76 . CYS . 25744 1 77 . GLY . 25744 1 78 . ALA . 25744 1 79 . ALA . 25744 1 80 . SER . 25744 1 81 . GLY . 25744 1 82 . LEU . 25744 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 . GLY 1 1 25744 1 . ALA 2 2 25744 1 . MET 3 3 25744 1 . GLY 4 4 25744 1 . PRO 5 5 25744 1 . SER 6 6 25744 1 . PRO 7 7 25744 1 . ASN 8 8 25744 1 . TRP 9 9 25744 1 . ASP 10 10 25744 1 . ALA 11 11 25744 1 . VAL 12 12 25744 1 . ALA 13 13 25744 1 . GLN 14 14 25744 1 . CYS 15 15 25744 1 . GLU 16 16 25744 1 . SER 17 17 25744 1 . GLY 18 18 25744 1 . GLY 19 19 25744 1 . ASN 20 20 25744 1 . TRP 21 21 25744 1 . ALA 22 22 25744 1 . ALA 23 23 25744 1 . ASN 24 24 25744 1 . THR 25 25 25744 1 . GLY 26 26 25744 1 . ASN 27 27 25744 1 . GLY 28 28 25744 1 . LYS 29 29 25744 1 . TYR 30 30 25744 1 . GLY 31 31 25744 1 . GLY 32 32 25744 1 . LEU 33 33 25744 1 . GLN 34 34 25744 1 . PHE 35 35 25744 1 . LYS 36 36 25744 1 . PRO 37 37 25744 1 . ALA 38 38 25744 1 . THR 39 39 25744 1 . TRP 40 40 25744 1 . ALA 41 41 25744 1 . ALA 42 42 25744 1 . PHE 43 43 25744 1 . GLY 44 44 25744 1 . GLY 45 45 25744 1 . VAL 46 46 25744 1 . GLY 47 47 25744 1 . ASN 48 48 25744 1 . PRO 49 49 25744 1 . ALA 50 50 25744 1 . ALA 51 51 25744 1 . ALA 52 52 25744 1 . SER 53 53 25744 1 . ARG 54 54 25744 1 . GLU 55 55 25744 1 . GLN 56 56 25744 1 . GLN 57 57 25744 1 . ILE 58 58 25744 1 . ALA 59 59 25744 1 . VAL 60 60 25744 1 . ALA 61 61 25744 1 . ASN 62 62 25744 1 . ARG 63 63 25744 1 . VAL 64 64 25744 1 . LEU 65 65 25744 1 . ALA 66 66 25744 1 . GLU 67 67 25744 1 . GLN 68 68 25744 1 . GLY 69 69 25744 1 . LEU 70 70 25744 1 . ASP 71 71 25744 1 . ALA 72 72 25744 1 . TRP 73 73 25744 1 . PRO 74 74 25744 1 . THR 75 75 25744 1 . CYS 76 76 25744 1 . GLY 77 77 25744 1 . ALA 78 78 25744 1 . ALA 79 79 25744 1 . SER 80 80 25744 1 . GLY 81 81 25744 1 . LEU 82 82 25744 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 25744 _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 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . Rv1884c . 25744 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 25744 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM-11 . . . 25744 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25744 _Sample.ID 1 _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 entity '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25744 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25744 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25744 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25744 _Sample.ID 2 _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25744 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25744 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25744 2 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 25744 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 25744 1 pH 6.9 . pH 25744 1 pressure 1 . atm 25744 1 temperature 298 . K 25744 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25744 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25744 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25744 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25744 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25744 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25744 2 processing 25744 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25744 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25744 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25744 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 25744 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25744 _NMR_spectrometer_list.ID 1 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 Varian INOVA . 500 . . . 25744 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 25744 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25744 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 25744 _Chem_shift_reference.ID 1 _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 external indirect 0.251449530 . . . . . 25744 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 25744 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 25744 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 25744 _Assigned_chem_shift_list.ID 1 _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 2 '3D 1H-15N TOCSY' . . . 25744 1 3 '3D 1H-15N NOESY' . . . 25744 1 6 '3D CBCA(CO)NH' . . . 25744 1 7 '3D HNCACB' . . . 25744 1 9 '3D 1H-13C NOESY aliphatic' . . . 25744 1 10 '3D 1H-13C NOESY aromatic' . . . 25744 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.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 4 4 GLY H H 1 8.067 0.020 . 1 . . . A 4 GLY H . 25744 1 2 . 1 1 4 4 GLY HA2 H 1 4.053 0.020 . 2 . . . A 4 GLY HA2 . 25744 1 3 . 1 1 4 4 GLY HA3 H 1 3.955 0.020 . 2 . . . A 4 GLY HA3 . 25744 1 4 . 1 1 4 4 GLY CA C 13 44.519 0.3 . 1 . . . A 4 GLY CA . 25744 1 5 . 1 1 4 4 GLY N N 15 110.205 0.3 . 1 . . . A 4 GLY N . 25744 1 6 . 1 1 5 5 PRO HA H 1 4.342 0.020 . 1 . . . A 5 PRO HA . 25744 1 7 . 1 1 5 5 PRO HB2 H 1 2.138 0.020 . 2 . . . A 5 PRO HB2 . 25744 1 8 . 1 1 5 5 PRO HB3 H 1 1.713 0.020 . 2 . . . A 5 PRO HB3 . 25744 1 9 . 1 1 5 5 PRO HG2 H 1 1.886 0.020 . 1 . . . A 5 PRO HG2 . 25744 1 10 . 1 1 5 5 PRO HG3 H 1 1.886 0.020 . 1 . . . A 5 PRO HG3 . 25744 1 11 . 1 1 5 5 PRO HD2 H 1 3.494 0.020 . 1 . . . A 5 PRO HD2 . 25744 1 12 . 1 1 5 5 PRO HD3 H 1 3.494 0.020 . 1 . . . A 5 PRO HD3 . 25744 1 13 . 1 1 5 5 PRO CA C 13 63.030 0.3 . 1 . . . A 5 PRO CA . 25744 1 14 . 1 1 5 5 PRO CB C 13 32.458 0.3 . 1 . . . A 5 PRO CB . 25744 1 15 . 1 1 5 5 PRO CG C 13 27.213 0.3 . 1 . . . A 5 PRO CG . 25744 1 16 . 1 1 5 5 PRO CD C 13 49.778 0.3 . 1 . . . A 5 PRO CD . 25744 1 17 . 1 1 6 6 SER H H 1 8.304 0.020 . 1 . . . A 6 SER H . 25744 1 18 . 1 1 6 6 SER HA H 1 4.612 0.020 . 1 . . . A 6 SER HA . 25744 1 19 . 1 1 6 6 SER HB2 H 1 3.769 0.020 . 2 . . . A 6 SER HB2 . 25744 1 20 . 1 1 6 6 SER HB3 H 1 3.662 0.020 . 2 . . . A 6 SER HB3 . 25744 1 21 . 1 1 6 6 SER CA C 13 56.015 0.3 . 1 . . . A 6 SER CA . 25744 1 22 . 1 1 6 6 SER CB C 13 63.363 0.3 . 1 . . . A 6 SER CB . 25744 1 23 . 1 1 6 6 SER N N 15 116.630 0.3 . 1 . . . A 6 SER N . 25744 1 24 . 1 1 7 7 PRO HA H 1 3.807 0.020 . 1 . . . A 7 PRO HA . 25744 1 25 . 1 1 7 7 PRO HB2 H 1 1.064 0.020 . 2 . . . A 7 PRO HB2 . 25744 1 26 . 1 1 7 7 PRO HB3 H 1 1.064 0.020 . 2 . . . A 7 PRO HB3 . 25744 1 27 . 1 1 7 7 PRO HG2 H 1 1.495 0.020 . 1 . . . A 7 PRO HG2 . 25744 1 28 . 1 1 7 7 PRO HG3 H 1 1.495 0.020 . 1 . . . A 7 PRO HG3 . 25744 1 29 . 1 1 7 7 PRO HD2 H 1 3.546 0.020 . 2 . . . A 7 PRO HD2 . 25744 1 30 . 1 1 7 7 PRO HD3 H 1 3.483 0.020 . 2 . . . A 7 PRO HD3 . 25744 1 31 . 1 1 7 7 PRO CA C 13 62.430 0.3 . 1 . . . A 7 PRO CA . 25744 1 32 . 1 1 7 7 PRO CB C 13 30.960 0.3 . 1 . . . A 7 PRO CB . 25744 1 33 . 1 1 7 7 PRO CG C 13 27.438 0.3 . 1 . . . A 7 PRO CG . 25744 1 34 . 1 1 7 7 PRO CD C 13 50.683 0.3 . 1 . . . A 7 PRO CD . 25744 1 35 . 1 1 8 8 ASN H H 1 8.667 0.020 . 1 . . . A 8 ASN H . 25744 1 36 . 1 1 8 8 ASN HA H 1 4.600 0.020 . 1 . . . A 8 ASN HA . 25744 1 37 . 1 1 8 8 ASN HB2 H 1 3.084 0.020 . 2 . . . A 8 ASN HB2 . 25744 1 38 . 1 1 8 8 ASN HB3 H 1 2.539 0.020 . 2 . . . A 8 ASN HB3 . 25744 1 39 . 1 1 8 8 ASN CA C 13 50.800 0.3 . 1 . . . A 8 ASN CA . 25744 1 40 . 1 1 8 8 ASN CB C 13 36.222 0.3 . 1 . . . A 8 ASN CB . 25744 1 41 . 1 1 8 8 ASN N N 15 120.122 0.3 . 1 . . . A 8 ASN N . 25744 1 42 . 1 1 9 9 TRP H H 1 7.691 0.020 . 1 . . . A 9 TRP H . 25744 1 43 . 1 1 9 9 TRP HA H 1 4.317 0.020 . 1 . . . A 9 TRP HA . 25744 1 44 . 1 1 9 9 TRP HB2 H 1 3.224 0.020 . 2 . . . A 9 TRP HB2 . 25744 1 45 . 1 1 9 9 TRP HB3 H 1 2.987 0.020 . 2 . . . A 9 TRP HB3 . 25744 1 46 . 1 1 9 9 TRP HD1 H 1 7.247 0.020 . 1 . . . A 9 TRP HD1 . 25744 1 47 . 1 1 9 9 TRP HE1 H 1 9.925 0.020 . 1 . . . A 9 TRP HE1 . 25744 1 48 . 1 1 9 9 TRP HE3 H 1 7.451 0.020 . 1 . . . A 9 TRP HE3 . 25744 1 49 . 1 1 9 9 TRP HZ2 H 1 7.144 0.020 . 1 . . . A 9 TRP HZ2 . 25744 1 50 . 1 1 9 9 TRP HZ3 H 1 6.632 0.020 . 1 . . . A 9 TRP HZ3 . 25744 1 51 . 1 1 9 9 TRP HH2 H 1 6.788 0.020 . 1 . . . A 9 TRP HH2 . 25744 1 52 . 1 1 9 9 TRP CA C 13 59.215 0.3 . 1 . . . A 9 TRP CA . 25744 1 53 . 1 1 9 9 TRP CB C 13 30.780 0.3 . 1 . . . A 9 TRP CB . 25744 1 54 . 1 1 9 9 TRP CD1 C 13 131.209 0.3 . 1 . . . A 9 TRP CD1 . 25744 1 55 . 1 1 9 9 TRP CE3 C 13 123.440 0.3 . 1 . . . A 9 TRP CE3 . 25744 1 56 . 1 1 9 9 TRP CZ2 C 13 117.444 0.3 . 1 . . . A 9 TRP CZ2 . 25744 1 57 . 1 1 9 9 TRP CZ3 C 13 126.792 0.3 . 1 . . . A 9 TRP CZ3 . 25744 1 58 . 1 1 9 9 TRP CH2 C 13 122.580 0.3 . 1 . . . A 9 TRP CH2 . 25744 1 59 . 1 1 9 9 TRP N N 15 123.684 0.3 . 1 . . . A 9 TRP N . 25744 1 60 . 1 1 10 10 ASP H H 1 8.320 0.020 . 1 . . . A 10 ASP H . 25744 1 61 . 1 1 10 10 ASP HA H 1 4.593 0.020 . 1 . . . A 10 ASP HA . 25744 1 62 . 1 1 10 10 ASP HB2 H 1 2.695 0.020 . 2 . . . A 10 ASP HB2 . 25744 1 63 . 1 1 10 10 ASP HB3 H 1 2.559 0.020 . 2 . . . A 10 ASP HB3 . 25744 1 64 . 1 1 10 10 ASP CA C 13 58.622 0.3 . 1 . . . A 10 ASP CA . 25744 1 65 . 1 1 10 10 ASP CB C 13 40.844 0.3 . 1 . . . A 10 ASP CB . 25744 1 66 . 1 1 10 10 ASP N N 15 118.132 0.3 . 1 . . . A 10 ASP N . 25744 1 67 . 1 1 11 11 ALA H H 1 7.395 0.020 . 1 . . . A 11 ALA H . 25744 1 68 . 1 1 11 11 ALA HA H 1 4.041 0.020 . 1 . . . A 11 ALA HA . 25744 1 69 . 1 1 11 11 ALA HB1 H 1 1.206 0.020 . 1 . . . A 11 ALA HB . 25744 1 70 . 1 1 11 11 ALA HB2 H 1 1.206 0.020 . 1 . . . A 11 ALA HB . 25744 1 71 . 1 1 11 11 ALA HB3 H 1 1.206 0.020 . 1 . . . A 11 ALA HB . 25744 1 72 . 1 1 11 11 ALA CA C 13 54.593 0.3 . 1 . . . A 11 ALA CA . 25744 1 73 . 1 1 11 11 ALA CB C 13 18.681 0.3 . 1 . . . A 11 ALA CB . 25744 1 74 . 1 1 11 11 ALA N N 15 124.299 0.3 . 1 . . . A 11 ALA N . 25744 1 75 . 1 1 12 12 VAL H H 1 7.464 0.020 . 1 . . . A 12 VAL H . 25744 1 76 . 1 1 12 12 VAL HA H 1 3.328 0.020 . 1 . . . A 12 VAL HA . 25744 1 77 . 1 1 12 12 VAL HB H 1 1.936 0.020 . 1 . . . A 12 VAL HB . 25744 1 78 . 1 1 12 12 VAL HG11 H 1 0.596 0.020 . 2 . . . A 12 VAL HG1 . 25744 1 79 . 1 1 12 12 VAL HG12 H 1 0.596 0.020 . 2 . . . A 12 VAL HG1 . 25744 1 80 . 1 1 12 12 VAL HG13 H 1 0.596 0.020 . 2 . . . A 12 VAL HG1 . 25744 1 81 . 1 1 12 12 VAL HG21 H 1 0.269 0.020 . 2 . . . A 12 VAL HG2 . 25744 1 82 . 1 1 12 12 VAL HG22 H 1 0.269 0.020 . 2 . . . A 12 VAL HG2 . 25744 1 83 . 1 1 12 12 VAL HG23 H 1 0.269 0.020 . 2 . . . A 12 VAL HG2 . 25744 1 84 . 1 1 12 12 VAL CA C 13 66.682 0.3 . 1 . . . A 12 VAL CA . 25744 1 85 . 1 1 12 12 VAL CB C 13 31.481 0.3 . 1 . . . A 12 VAL CB . 25744 1 86 . 1 1 12 12 VAL CG1 C 13 21.288 0.3 . 1 . . . A 12 VAL CG1 . 25744 1 87 . 1 1 12 12 VAL CG2 C 13 20.450 0.3 . 1 . . . A 12 VAL CG2 . 25744 1 88 . 1 1 12 12 VAL N N 15 120.997 0.3 . 1 . . . A 12 VAL N . 25744 1 89 . 1 1 13 13 ALA H H 1 8.523 0.020 . 1 . . . A 13 ALA H . 25744 1 90 . 1 1 13 13 ALA HA H 1 3.854 0.020 . 1 . . . A 13 ALA HA . 25744 1 91 . 1 1 13 13 ALA HB1 H 1 0.489 0.020 . 1 . . . A 13 ALA HB . 25744 1 92 . 1 1 13 13 ALA HB2 H 1 0.489 0.020 . 1 . . . A 13 ALA HB . 25744 1 93 . 1 1 13 13 ALA HB3 H 1 0.489 0.020 . 1 . . . A 13 ALA HB . 25744 1 94 . 1 1 13 13 ALA CA C 13 54.711 0.3 . 1 . . . A 13 ALA CA . 25744 1 95 . 1 1 13 13 ALA CB C 13 18.918 0.3 . 1 . . . A 13 ALA CB . 25744 1 96 . 1 1 13 13 ALA N N 15 121.205 0.3 . 1 . . . A 13 ALA N . 25744 1 97 . 1 1 14 14 GLN H H 1 8.046 0.020 . 1 . . . A 14 GLN H . 25744 1 98 . 1 1 14 14 GLN HA H 1 3.507 0.020 . 1 . . . A 14 GLN HA . 25744 1 99 . 1 1 14 14 GLN HB2 H 1 2.050 0.020 . 2 . . . A 14 GLN HB2 . 25744 1 100 . 1 1 14 14 GLN HB3 H 1 1.974 0.020 . 2 . . . A 14 GLN HB3 . 25744 1 101 . 1 1 14 14 GLN HG2 H 1 2.340 0.020 . 2 . . . A 14 GLN HG2 . 25744 1 102 . 1 1 14 14 GLN HG3 H 1 2.197 0.020 . 2 . . . A 14 GLN HG3 . 25744 1 103 . 1 1 14 14 GLN CA C 13 58.978 0.3 . 1 . . . A 14 GLN CA . 25744 1 104 . 1 1 14 14 GLN CB C 13 27.689 0.3 . 1 . . . A 14 GLN CB . 25744 1 105 . 1 1 14 14 GLN CG C 13 33.018 0.3 . 1 . . . A 14 GLN CG . 25744 1 106 . 1 1 14 14 GLN N N 15 120.926 0.3 . 1 . . . A 14 GLN N . 25744 1 107 . 1 1 15 15 CYS H H 1 7.108 0.020 . 1 . . . A 15 CYS H . 25744 1 108 . 1 1 15 15 CYS HA H 1 4.130 0.020 . 1 . . . A 15 CYS HA . 25744 1 109 . 1 1 15 15 CYS HB2 H 1 3.230 0.020 . 2 . . . A 15 CYS HB2 . 25744 1 110 . 1 1 15 15 CYS HB3 H 1 2.948 0.020 . 2 . . . A 15 CYS HB3 . 25744 1 111 . 1 1 15 15 CYS CA C 13 59.334 0.3 . 1 . . . A 15 CYS CA . 25744 1 112 . 1 1 15 15 CYS CB C 13 35.748 0.3 . 1 . . . A 15 CYS CB . 25744 1 113 . 1 1 15 15 CYS N N 15 118.916 0.3 . 1 . . . A 15 CYS N . 25744 1 114 . 1 1 16 16 GLU H H 1 8.776 0.020 . 1 . . . A 16 GLU H . 25744 1 115 . 1 1 16 16 GLU HA H 1 4.020 0.020 . 1 . . . A 16 GLU HA . 25744 1 116 . 1 1 16 16 GLU HB2 H 1 1.809 0.020 . 2 . . . A 16 GLU HB2 . 25744 1 117 . 1 1 16 16 GLU HB3 H 1 1.654 0.020 . 2 . . . A 16 GLU HB3 . 25744 1 118 . 1 1 16 16 GLU HG2 H 1 2.138 0.020 . 2 . . . A 16 GLU HG2 . 25744 1 119 . 1 1 16 16 GLU HG3 H 1 1.823 0.020 . 2 . . . A 16 GLU HG3 . 25744 1 120 . 1 1 16 16 GLU CA C 13 58.978 0.3 . 1 . . . A 16 GLU CA . 25744 1 121 . 1 1 16 16 GLU CB C 13 30.051 0.3 . 1 . . . A 16 GLU CB . 25744 1 122 . 1 1 16 16 GLU CG C 13 36.055 0.3 . 1 . . . A 16 GLU CG . 25744 1 123 . 1 1 16 16 GLU N N 15 120.227 0.3 . 1 . . . A 16 GLU N . 25744 1 124 . 1 1 17 17 SER H H 1 8.467 0.020 . 1 . . . A 17 SER H . 25744 1 125 . 1 1 17 17 SER HA H 1 4.551 0.020 . 1 . . . A 17 SER HA . 25744 1 126 . 1 1 17 17 SER HB2 H 1 3.956 0.020 . 1 . . . A 17 SER HB2 . 25744 1 127 . 1 1 17 17 SER HB3 H 1 3.956 0.020 . 1 . . . A 17 SER HB3 . 25744 1 128 . 1 1 17 17 SER CA C 13 57.771 0.3 . 1 . . . A 17 SER CA . 25744 1 129 . 1 1 17 17 SER CB C 13 66.563 0.3 . 1 . . . A 17 SER CB . 25744 1 130 . 1 1 17 17 SER N N 15 109.577 0.3 . 1 . . . A 17 SER N . 25744 1 131 . 1 1 18 18 GLY H H 1 7.598 0.020 . 1 . . . A 18 GLY H . 25744 1 132 . 1 1 18 18 GLY HA2 H 1 3.935 0.020 . 1 . . . A 18 GLY HA2 . 25744 1 133 . 1 1 18 18 GLY HA3 H 1 3.935 0.020 . 1 . . . A 18 GLY HA3 . 25744 1 134 . 1 1 18 18 GLY CA C 13 46.652 0.3 . 1 . . . A 18 GLY CA . 25744 1 135 . 1 1 18 18 GLY N N 15 113.669 0.3 . 1 . . . A 18 GLY N . 25744 1 136 . 1 1 19 19 GLY H H 1 7.476 0.020 . 1 . . . A 19 GLY H . 25744 1 137 . 1 1 19 19 GLY HA2 H 1 3.867 0.020 . 2 . . . A 19 GLY HA2 . 25744 1 138 . 1 1 19 19 GLY HA3 H 1 2.715 0.020 . 2 . . . A 19 GLY HA3 . 25744 1 139 . 1 1 19 19 GLY CA C 13 45.467 0.3 . 1 . . . A 19 GLY CA . 25744 1 140 . 1 1 19 19 GLY N N 15 106.884 0.3 . 1 . . . A 19 GLY N . 25744 1 141 . 1 1 20 20 ASN H H 1 6.580 0.020 . 1 . . . A 20 ASN H . 25744 1 142 . 1 1 20 20 ASN HA H 1 4.764 0.020 . 1 . . . A 20 ASN HA . 25744 1 143 . 1 1 20 20 ASN HB2 H 1 2.766 0.020 . 2 . . . A 20 ASN HB2 . 25744 1 144 . 1 1 20 20 ASN HB3 H 1 2.540 0.020 . 2 . . . A 20 ASN HB3 . 25744 1 145 . 1 1 20 20 ASN CA C 13 50.445 0.3 . 1 . . . A 20 ASN CA . 25744 1 146 . 1 1 20 20 ASN CB C 13 38.510 0.3 . 1 . . . A 20 ASN CB . 25744 1 147 . 1 1 20 20 ASN N N 15 116.428 0.3 . 1 . . . A 20 ASN N . 25744 1 148 . 1 1 21 21 TRP H H 1 8.262 0.020 . 1 . . . A 21 TRP H . 25744 1 149 . 1 1 21 21 TRP HA H 1 3.794 0.020 . 1 . . . A 21 TRP HA . 25744 1 150 . 1 1 21 21 TRP HB2 H 1 3.380 0.020 . 2 . . . A 21 TRP HB2 . 25744 1 151 . 1 1 21 21 TRP HB3 H 1 3.014 0.020 . 2 . . . A 21 TRP HB3 . 25744 1 152 . 1 1 21 21 TRP HD1 H 1 7.397 0.020 . 1 . . . A 21 TRP HD1 . 25744 1 153 . 1 1 21 21 TRP HE3 H 1 7.636 0.020 . 1 . . . A 21 TRP HE3 . 25744 1 154 . 1 1 21 21 TRP HZ2 H 1 7.531 0.020 . 1 . . . A 21 TRP HZ2 . 25744 1 155 . 1 1 21 21 TRP HZ3 H 1 7.135 0.020 . 1 . . . A 21 TRP HZ3 . 25744 1 156 . 1 1 21 21 TRP HH2 H 1 6.617 0.020 . 1 . . . A 21 TRP HH2 . 25744 1 157 . 1 1 21 21 TRP CA C 13 60.400 0.3 . 1 . . . A 21 TRP CA . 25744 1 158 . 1 1 21 21 TRP CB C 13 27.689 0.3 . 1 . . . A 21 TRP CB . 25744 1 159 . 1 1 21 21 TRP CD1 C 13 131.163 0.3 . 1 . . . A 21 TRP CD1 . 25744 1 160 . 1 1 21 21 TRP CE3 C 13 122.370 0.3 . 1 . . . A 21 TRP CE3 . 25744 1 161 . 1 1 21 21 TRP CZ2 C 13 118.031 0.3 . 1 . . . A 21 TRP CZ2 . 25744 1 162 . 1 1 21 21 TRP CZ3 C 13 124.083 0.3 . 1 . . . A 21 TRP CZ3 . 25744 1 163 . 1 1 21 21 TRP CH2 C 13 128.215 0.3 . 1 . . . A 21 TRP CH2 . 25744 1 164 . 1 1 21 21 TRP N N 15 124.313 0.3 . 1 . . . A 21 TRP N . 25744 1 165 . 1 1 22 22 ALA H H 1 7.668 0.020 . 1 . . . A 22 ALA H . 25744 1 166 . 1 1 22 22 ALA HA H 1 5.226 0.020 . 1 . . . A 22 ALA HA . 25744 1 167 . 1 1 22 22 ALA HB1 H 1 1.338 0.020 . 1 . . . A 22 ALA HB . 25744 1 168 . 1 1 22 22 ALA HB2 H 1 1.338 0.020 . 1 . . . A 22 ALA HB . 25744 1 169 . 1 1 22 22 ALA HB3 H 1 1.338 0.020 . 1 . . . A 22 ALA HB . 25744 1 170 . 1 1 22 22 ALA CA C 13 50.208 0.3 . 1 . . . A 22 ALA CA . 25744 1 171 . 1 1 22 22 ALA CB C 13 19.037 0.3 . 1 . . . A 22 ALA CB . 25744 1 172 . 1 1 22 22 ALA N N 15 120.192 0.3 . 1 . . . A 22 ALA N . 25744 1 173 . 1 1 23 23 ALA H H 1 6.929 0.020 . 1 . . . A 23 ALA H . 25744 1 174 . 1 1 23 23 ALA HA H 1 3.707 0.020 . 1 . . . A 23 ALA HA . 25744 1 175 . 1 1 23 23 ALA HB1 H 1 1.224 0.020 . 1 . . . A 23 ALA HB . 25744 1 176 . 1 1 23 23 ALA HB2 H 1 1.224 0.020 . 1 . . . A 23 ALA HB . 25744 1 177 . 1 1 23 23 ALA HB3 H 1 1.224 0.020 . 1 . . . A 23 ALA HB . 25744 1 178 . 1 1 23 23 ALA CA C 13 54.711 0.3 . 1 . . . A 23 ALA CA . 25744 1 179 . 1 1 23 23 ALA CB C 13 18.701 0.3 . 1 . . . A 23 ALA CB . 25744 1 180 . 1 1 23 23 ALA N N 15 121.314 0.3 . 1 . . . A 23 ALA N . 25744 1 181 . 1 1 24 24 ASN H H 1 8.678 0.020 . 1 . . . A 24 ASN H . 25744 1 182 . 1 1 24 24 ASN HA H 1 4.630 0.020 . 1 . . . A 24 ASN HA . 25744 1 183 . 1 1 24 24 ASN HB2 H 1 2.869 0.020 . 2 . . . A 24 ASN HB2 . 25744 1 184 . 1 1 24 24 ASN HB3 H 1 2.674 0.020 . 2 . . . A 24 ASN HB3 . 25744 1 185 . 1 1 24 24 ASN CA C 13 52.459 0.3 . 1 . . . A 24 ASN CA . 25744 1 186 . 1 1 24 24 ASN CB C 13 37.170 0.3 . 1 . . . A 24 ASN CB . 25744 1 187 . 1 1 24 24 ASN N N 15 119.494 0.3 . 1 . . . A 24 ASN N . 25744 1 188 . 1 1 25 25 THR H H 1 9.174 0.020 . 1 . . . A 25 THR H . 25744 1 189 . 1 1 25 25 THR HA H 1 4.240 0.020 . 1 . . . A 25 THR HA . 25744 1 190 . 1 1 25 25 THR HB H 1 4.407 0.020 . 1 . . . A 25 THR HB . 25744 1 191 . 1 1 25 25 THR HG21 H 1 1.057 0.020 . 1 . . . A 25 THR HG2 . 25744 1 192 . 1 1 25 25 THR HG22 H 1 1.057 0.020 . 1 . . . A 25 THR HG2 . 25744 1 193 . 1 1 25 25 THR HG23 H 1 1.057 0.020 . 1 . . . A 25 THR HG2 . 25744 1 194 . 1 1 25 25 THR CA C 13 61.941 0.3 . 1 . . . A 25 THR CA . 25744 1 195 . 1 1 25 25 THR CB C 13 69.171 0.3 . 1 . . . A 25 THR CB . 25744 1 196 . 1 1 25 25 THR CG2 C 13 21.195 0.3 . 1 . . . A 25 THR CG2 . 25744 1 197 . 1 1 25 25 THR N N 15 113.697 0.3 . 1 . . . A 25 THR N . 25744 1 198 . 1 1 26 26 GLY H H 1 8.381 0.020 . 1 . . . A 26 GLY H . 25744 1 199 . 1 1 26 26 GLY HA2 H 1 4.180 0.020 . 2 . . . A 26 GLY HA2 . 25744 1 200 . 1 1 26 26 GLY HA3 H 1 3.809 0.020 . 2 . . . A 26 GLY HA3 . 25744 1 201 . 1 1 26 26 GLY CA C 13 45.822 0.3 . 1 . . . A 26 GLY CA . 25744 1 202 . 1 1 26 26 GLY N N 15 110.554 0.3 . 1 . . . A 26 GLY N . 25744 1 203 . 1 1 27 27 ASN H H 1 7.718 0.020 . 1 . . . A 27 ASN H . 25744 1 204 . 1 1 27 27 ASN HA H 1 4.541 0.020 . 1 . . . A 27 ASN HA . 25744 1 205 . 1 1 27 27 ASN HB2 H 1 3.089 0.020 . 2 . . . A 27 ASN HB2 . 25744 1 206 . 1 1 27 27 ASN HB3 H 1 2.498 0.020 . 2 . . . A 27 ASN HB3 . 25744 1 207 . 1 1 27 27 ASN CA C 13 51.985 0.3 . 1 . . . A 27 ASN CA . 25744 1 208 . 1 1 27 27 ASN CB C 13 37.436 0.3 . 1 . . . A 27 ASN CB . 25744 1 209 . 1 1 27 27 ASN N N 15 118.272 0.3 . 1 . . . A 27 ASN N . 25744 1 210 . 1 1 28 28 GLY H H 1 8.287 0.020 . 1 . . . A 28 GLY H . 25744 1 211 . 1 1 28 28 GLY HA2 H 1 3.956 0.020 . 2 . . . A 28 GLY HA2 . 25744 1 212 . 1 1 28 28 GLY HA3 H 1 3.470 0.020 . 2 . . . A 28 GLY HA3 . 25744 1 213 . 1 1 28 28 GLY CA C 13 45.348 0.3 . 1 . . . A 28 GLY CA . 25744 1 214 . 1 1 28 28 GLY N N 15 108.669 0.3 . 1 . . . A 28 GLY N . 25744 1 215 . 1 1 29 29 LYS H H 1 7.256 0.020 . 1 . . . A 29 LYS H . 25744 1 216 . 1 1 29 29 LYS HA H 1 4.666 0.020 . 1 . . . A 29 LYS HA . 25744 1 217 . 1 1 29 29 LYS HB2 H 1 1.152 0.020 . 2 . . . A 29 LYS HB2 . 25744 1 218 . 1 1 29 29 LYS HB3 H 1 0.756 0.020 . 2 . . . A 29 LYS HB3 . 25744 1 219 . 1 1 29 29 LYS HG2 H 1 0.952 0.020 . 1 . . . A 29 LYS HG2 . 25744 1 220 . 1 1 29 29 LYS HG3 H 1 0.952 0.020 . 1 . . . A 29 LYS HG3 . 25744 1 221 . 1 1 29 29 LYS HE2 H 1 2.789 0.020 . 1 . . . A 29 LYS HE2 . 25744 1 222 . 1 1 29 29 LYS HE3 H 1 2.789 0.020 . 1 . . . A 29 LYS HE3 . 25744 1 223 . 1 1 29 29 LYS CA C 13 54.119 0.3 . 1 . . . A 29 LYS CA . 25744 1 224 . 1 1 29 29 LYS CB C 13 35.184 0.3 . 1 . . . A 29 LYS CB . 25744 1 225 . 1 1 29 29 LYS CG C 13 24.957 0.3 . 1 . . . A 29 LYS CG . 25744 1 226 . 1 1 29 29 LYS CD C 13 28.531 0.3 . 1 . . . A 29 LYS CD . 25744 1 227 . 1 1 29 29 LYS CE C 13 41.887 0.3 . 1 . . . A 29 LYS CE . 25744 1 228 . 1 1 29 29 LYS N N 15 116.881 0.3 . 1 . . . A 29 LYS N . 25744 1 229 . 1 1 30 30 TYR H H 1 8.421 0.020 . 1 . . . A 30 TYR H . 25744 1 230 . 1 1 30 30 TYR HA H 1 4.956 0.020 . 1 . . . A 30 TYR HA . 25744 1 231 . 1 1 30 30 TYR HB2 H 1 2.863 0.020 . 2 . . . A 30 TYR HB2 . 25744 1 232 . 1 1 30 30 TYR HB3 H 1 2.135 0.020 . 2 . . . A 30 TYR HB3 . 25744 1 233 . 1 1 30 30 TYR HD1 H 1 6.881 0.020 . 1 . . . A 30 TYR HD1 . 25744 1 234 . 1 1 30 30 TYR HD2 H 1 6.881 0.020 . 1 . . . A 30 TYR HD2 . 25744 1 235 . 1 1 30 30 TYR HE1 H 1 6.620 0.020 . 1 . . . A 30 TYR HE1 . 25744 1 236 . 1 1 30 30 TYR HE2 H 1 6.620 0.020 . 1 . . . A 30 TYR HE2 . 25744 1 237 . 1 1 30 30 TYR CA C 13 58.148 0.3 . 1 . . . A 30 TYR CA . 25744 1 238 . 1 1 30 30 TYR CB C 13 44.163 0.3 . 1 . . . A 30 TYR CB . 25744 1 239 . 1 1 30 30 TYR CD1 C 13 135.866 0.3 . 1 . . . A 30 TYR CD1 . 25744 1 240 . 1 1 30 30 TYR CD2 C 13 135.866 0.3 . 1 . . . A 30 TYR CD2 . 25744 1 241 . 1 1 30 30 TYR CE1 C 13 121.110 0.3 . 1 . . . A 30 TYR CE1 . 25744 1 242 . 1 1 30 30 TYR CE2 C 13 121.110 0.3 . 1 . . . A 30 TYR CE2 . 25744 1 243 . 1 1 30 30 TYR N N 15 115.548 0.3 . 1 . . . A 30 TYR N . 25744 1 244 . 1 1 31 31 GLY H H 1 9.969 0.020 . 1 . . . A 31 GLY H . 25744 1 245 . 1 1 31 31 GLY HA2 H 1 4.031 0.020 . 1 . . . A 31 GLY HA2 . 25744 1 246 . 1 1 31 31 GLY HA3 H 1 4.031 0.020 . 1 . . . A 31 GLY HA3 . 25744 1 247 . 1 1 31 31 GLY CA C 13 44.767 0.3 . 1 . . . A 31 GLY CA . 25744 1 248 . 1 1 31 31 GLY N N 15 110.774 0.3 . 1 . . . A 31 GLY N . 25744 1 249 . 1 1 32 32 GLY H H 1 9.008 0.020 . 1 . . . A 32 GLY H . 25744 1 250 . 1 1 32 32 GLY HA2 H 1 3.611 0.020 . 2 . . . A 32 GLY HA2 . 25744 1 251 . 1 1 32 32 GLY HA3 H 1 2.290 0.020 . 2 . . . A 32 GLY HA3 . 25744 1 252 . 1 1 32 32 GLY CA C 13 46.193 0.3 . 1 . . . A 32 GLY CA . 25744 1 253 . 1 1 32 32 GLY N N 15 109.262 0.3 . 1 . . . A 32 GLY N . 25744 1 254 . 1 1 33 33 LEU H H 1 7.843 0.020 . 1 . . . A 33 LEU H . 25744 1 255 . 1 1 33 33 LEU HA H 1 3.984 0.020 . 1 . . . A 33 LEU HA . 25744 1 256 . 1 1 33 33 LEU HB2 H 1 1.471 0.020 . 2 . . . A 33 LEU HB2 . 25744 1 257 . 1 1 33 33 LEU HB3 H 1 1.229 0.020 . 2 . . . A 33 LEU HB3 . 25744 1 258 . 1 1 33 33 LEU HG H 1 0.504 0.020 . 1 . . . A 33 LEU HG . 25744 1 259 . 1 1 33 33 LEU HD11 H 1 0.500 0.020 . 2 . . . A 33 LEU HD1 . 25744 1 260 . 1 1 33 33 LEU HD12 H 1 0.500 0.020 . 2 . . . A 33 LEU HD1 . 25744 1 261 . 1 1 33 33 LEU HD13 H 1 0.500 0.020 . 2 . . . A 33 LEU HD1 . 25744 1 262 . 1 1 33 33 LEU HD21 H 1 0.442 0.020 . 2 . . . A 33 LEU HD2 . 25744 1 263 . 1 1 33 33 LEU HD22 H 1 0.442 0.020 . 2 . . . A 33 LEU HD2 . 25744 1 264 . 1 1 33 33 LEU HD23 H 1 0.442 0.020 . 2 . . . A 33 LEU HD2 . 25744 1 265 . 1 1 33 33 LEU CA C 13 52.815 0.3 . 1 . . . A 33 LEU CA . 25744 1 266 . 1 1 33 33 LEU CB C 13 41.556 0.3 . 1 . . . A 33 LEU CB . 25744 1 267 . 1 1 33 33 LEU CG C 13 26.969 0.3 . 1 . . . A 33 LEU CG . 25744 1 268 . 1 1 33 33 LEU CD1 C 13 23.168 0.3 . 1 . . . A 33 LEU CD1 . 25744 1 269 . 1 1 33 33 LEU CD2 C 13 21.906 0.3 . 1 . . . A 33 LEU CD2 . 25744 1 270 . 1 1 33 33 LEU N N 15 115.269 0.3 . 1 . . . A 33 LEU N . 25744 1 271 . 1 1 34 34 GLN H H 1 7.321 0.020 . 1 . . . A 34 GLN H . 25744 1 272 . 1 1 34 34 GLN HA H 1 3.153 0.020 . 1 . . . A 34 GLN HA . 25744 1 273 . 1 1 34 34 GLN HB2 H 1 2.082 0.020 . 2 . . . A 34 GLN HB2 . 25744 1 274 . 1 1 34 34 GLN HB3 H 1 1.703 0.020 . 2 . . . A 34 GLN HB3 . 25744 1 275 . 1 1 34 34 GLN HG2 H 1 2.179 0.020 . 1 . . . A 34 GLN HG2 . 25744 1 276 . 1 1 34 34 GLN HG3 H 1 2.179 0.020 . 1 . . . A 34 GLN HG3 . 25744 1 277 . 1 1 34 34 GLN CA C 13 55.304 0.3 . 1 . . . A 34 GLN CA . 25744 1 278 . 1 1 34 34 GLN CB C 13 27.333 0.3 . 1 . . . A 34 GLN CB . 25744 1 279 . 1 1 34 34 GLN CG C 13 35.393 0.3 . 1 . . . A 34 GLN CG . 25744 1 280 . 1 1 34 34 GLN N N 15 112.176 0.3 . 1 . . . A 34 GLN N . 25744 1 281 . 1 1 35 35 PHE H H 1 7.708 0.020 . 1 . . . A 35 PHE H . 25744 1 282 . 1 1 35 35 PHE HA H 1 4.352 0.020 . 1 . . . A 35 PHE HA . 25744 1 283 . 1 1 35 35 PHE HB2 H 1 3.085 0.020 . 2 . . . A 35 PHE HB2 . 25744 1 284 . 1 1 35 35 PHE HB3 H 1 2.468 0.020 . 2 . . . A 35 PHE HB3 . 25744 1 285 . 1 1 35 35 PHE HD1 H 1 7.571 0.020 . 1 . . . A 35 PHE HD1 . 25744 1 286 . 1 1 35 35 PHE HD2 H 1 7.571 0.020 . 1 . . . A 35 PHE HD2 . 25744 1 287 . 1 1 35 35 PHE HE1 H 1 7.420 0.020 . 1 . . . A 35 PHE HE1 . 25744 1 288 . 1 1 35 35 PHE HE2 H 1 7.420 0.020 . 1 . . . A 35 PHE HE2 . 25744 1 289 . 1 1 35 35 PHE CA C 13 59.334 0.3 . 1 . . . A 35 PHE CA . 25744 1 290 . 1 1 35 35 PHE CB C 13 41.793 0.3 . 1 . . . A 35 PHE CB . 25744 1 291 . 1 1 35 35 PHE CD1 C 13 135.409 0.3 . 1 . . . A 35 PHE CD1 . 25744 1 292 . 1 1 35 35 PHE CD2 C 13 135.409 0.3 . 1 . . . A 35 PHE CD2 . 25744 1 293 . 1 1 35 35 PHE CE1 C 13 134.551 0.3 . 1 . . . A 35 PHE CE1 . 25744 1 294 . 1 1 35 35 PHE CE2 C 13 134.551 0.3 . 1 . . . A 35 PHE CE2 . 25744 1 295 . 1 1 35 35 PHE N N 15 116.246 0.3 . 1 . . . A 35 PHE N . 25744 1 296 . 1 1 36 36 LYS H H 1 9.110 0.020 . 1 . . . A 36 LYS H . 25744 1 297 . 1 1 36 36 LYS HA H 1 5.006 0.020 . 1 . . . A 36 LYS HA . 25744 1 298 . 1 1 36 36 LYS HB2 H 1 2.153 0.020 . 2 . . . A 36 LYS HB2 . 25744 1 299 . 1 1 36 36 LYS HB3 H 1 1.872 0.020 . 2 . . . A 36 LYS HB3 . 25744 1 300 . 1 1 36 36 LYS HG2 H 1 1.713 0.020 . 2 . . . A 36 LYS HG2 . 25744 1 301 . 1 1 36 36 LYS HG3 H 1 1.517 0.020 . 2 . . . A 36 LYS HG3 . 25744 1 302 . 1 1 36 36 LYS HD2 H 1 1.710 0.020 . 1 . . . A 36 LYS HD2 . 25744 1 303 . 1 1 36 36 LYS HD3 H 1 1.710 0.020 . 1 . . . A 36 LYS HD3 . 25744 1 304 . 1 1 36 36 LYS HE2 H 1 2.950 0.020 . 1 . . . A 36 LYS HE2 . 25744 1 305 . 1 1 36 36 LYS HE3 H 1 2.950 0.020 . 1 . . . A 36 LYS HE3 . 25744 1 306 . 1 1 36 36 LYS CA C 13 54.711 0.3 . 1 . . . A 36 LYS CA . 25744 1 307 . 1 1 36 36 LYS CB C 13 32.193 0.3 . 1 . . . A 36 LYS CB . 25744 1 308 . 1 1 36 36 LYS CG C 13 26.172 0.3 . 1 . . . A 36 LYS CG . 25744 1 309 . 1 1 36 36 LYS CD C 13 29.686 0.3 . 1 . . . A 36 LYS CD . 25744 1 310 . 1 1 36 36 LYS CE C 13 41.915 0.3 . 1 . . . A 36 LYS CE . 25744 1 311 . 1 1 36 36 LYS N N 15 122.039 0.3 . 1 . . . A 36 LYS N . 25744 1 312 . 1 1 37 37 PRO HA H 1 4.033 0.020 . 1 . . . A 37 PRO HA . 25744 1 313 . 1 1 37 37 PRO HB2 H 1 2.293 0.020 . 2 . . . A 37 PRO HB2 . 25744 1 314 . 1 1 37 37 PRO HB3 H 1 2.025 0.020 . 2 . . . A 37 PRO HB3 . 25744 1 315 . 1 1 37 37 PRO HG2 H 1 2.321 0.020 . 2 . . . A 37 PRO HG2 . 25744 1 316 . 1 1 37 37 PRO HG3 H 1 1.816 0.020 . 2 . . . A 37 PRO HG3 . 25744 1 317 . 1 1 37 37 PRO HD2 H 1 4.237 0.020 . 2 . . . A 37 PRO HD2 . 25744 1 318 . 1 1 37 37 PRO HD3 H 1 4.040 0.020 . 2 . . . A 37 PRO HD3 . 25744 1 319 . 1 1 37 37 PRO CA C 13 66.626 0.3 . 1 . . . A 37 PRO CA . 25744 1 320 . 1 1 37 37 PRO CB C 13 32.234 0.3 . 1 . . . A 37 PRO CB . 25744 1 321 . 1 1 37 37 PRO CG C 13 28.937 0.3 . 1 . . . A 37 PRO CG . 25744 1 322 . 1 1 37 37 PRO CD C 13 50.966 0.3 . 1 . . . A 37 PRO CD . 25744 1 323 . 1 1 39 39 THR H H 1 7.046 0.020 . 1 . . . A 39 THR H . 25744 1 324 . 1 1 39 39 THR HA H 1 4.077 0.020 . 1 . . . A 39 THR HA . 25744 1 325 . 1 1 39 39 THR HB H 1 4.379 0.020 . 1 . . . A 39 THR HB . 25744 1 326 . 1 1 39 39 THR HG21 H 1 1.334 0.020 . 1 . . . A 39 THR HG2 . 25744 1 327 . 1 1 39 39 THR HG22 H 1 1.334 0.020 . 1 . . . A 39 THR HG2 . 25744 1 328 . 1 1 39 39 THR HG23 H 1 1.334 0.020 . 1 . . . A 39 THR HG2 . 25744 1 329 . 1 1 39 39 THR CA C 13 65.971 0.3 . 1 . . . A 39 THR CA . 25744 1 330 . 1 1 39 39 THR CB C 13 69.550 0.3 . 1 . . . A 39 THR CB . 25744 1 331 . 1 1 39 39 THR CG2 C 13 22.552 0.3 . 1 . . . A 39 THR CG2 . 25744 1 332 . 1 1 39 39 THR N N 15 115.976 0.3 . 1 . . . A 39 THR N . 25744 1 333 . 1 1 40 40 TRP H H 1 7.810 0.020 . 1 . . . A 40 TRP H . 25744 1 334 . 1 1 40 40 TRP HA H 1 3.727 0.020 . 1 . . . A 40 TRP HA . 25744 1 335 . 1 1 40 40 TRP HB2 H 1 3.324 0.020 . 2 . . . A 40 TRP HB2 . 25744 1 336 . 1 1 40 40 TRP HB3 H 1 2.688 0.020 . 2 . . . A 40 TRP HB3 . 25744 1 337 . 1 1 40 40 TRP HD1 H 1 7.023 0.020 . 1 . . . A 40 TRP HD1 . 25744 1 338 . 1 1 40 40 TRP HE3 H 1 5.873 0.020 . 1 . . . A 40 TRP HE3 . 25744 1 339 . 1 1 40 40 TRP HZ2 H 1 7.227 0.020 . 1 . . . A 40 TRP HZ2 . 25744 1 340 . 1 1 40 40 TRP HZ3 H 1 6.561 0.020 . 1 . . . A 40 TRP HZ3 . 25744 1 341 . 1 1 40 40 TRP HH2 H 1 6.739 0.020 . 1 . . . A 40 TRP HH2 . 25744 1 342 . 1 1 40 40 TRP CA C 13 60.163 0.3 . 1 . . . A 40 TRP CA . 25744 1 343 . 1 1 40 40 TRP CB C 13 30.317 0.3 . 1 . . . A 40 TRP CB . 25744 1 344 . 1 1 40 40 TRP CD1 C 13 131.249 0.3 . 1 . . . A 40 TRP CD1 . 25744 1 345 . 1 1 40 40 TRP CE3 C 13 123.637 0.3 . 1 . . . A 40 TRP CE3 . 25744 1 346 . 1 1 40 40 TRP CZ2 C 13 117.398 0.3 . 1 . . . A 40 TRP CZ2 . 25744 1 347 . 1 1 40 40 TRP CZ3 C 13 126.802 0.3 . 1 . . . A 40 TRP CZ3 . 25744 1 348 . 1 1 40 40 TRP CH2 C 13 124.107 0.3 . 1 . . . A 40 TRP CH2 . 25744 1 349 . 1 1 40 40 TRP N N 15 120.053 0.3 . 1 . . . A 40 TRP N . 25744 1 350 . 1 1 41 41 ALA H H 1 8.117 0.020 . 1 . . . A 41 ALA H . 25744 1 351 . 1 1 41 41 ALA HA H 1 4.058 0.020 . 1 . . . A 41 ALA HA . 25744 1 352 . 1 1 41 41 ALA HB1 H 1 1.397 0.020 . 1 . . . A 41 ALA HB . 25744 1 353 . 1 1 41 41 ALA HB2 H 1 1.397 0.020 . 1 . . . A 41 ALA HB . 25744 1 354 . 1 1 41 41 ALA HB3 H 1 1.397 0.020 . 1 . . . A 41 ALA HB . 25744 1 355 . 1 1 41 41 ALA CA C 13 54.119 0.3 . 1 . . . A 41 ALA CA . 25744 1 356 . 1 1 41 41 ALA CB C 13 18.800 0.3 . 1 . . . A 41 ALA CB . 25744 1 357 . 1 1 41 41 ALA N N 15 117.049 0.3 . 1 . . . A 41 ALA N . 25744 1 358 . 1 1 42 42 ALA H H 1 7.678 0.020 . 1 . . . A 42 ALA H . 25744 1 359 . 1 1 42 42 ALA HA H 1 3.882 0.020 . 1 . . . A 42 ALA HA . 25744 1 360 . 1 1 42 42 ALA HB1 H 1 1.294 0.020 . 1 . . . A 42 ALA HB . 25744 1 361 . 1 1 42 42 ALA HB2 H 1 1.294 0.020 . 1 . . . A 42 ALA HB . 25744 1 362 . 1 1 42 42 ALA HB3 H 1 1.294 0.020 . 1 . . . A 42 ALA HB . 25744 1 363 . 1 1 42 42 ALA CA C 13 53.408 0.3 . 1 . . . A 42 ALA CA . 25744 1 364 . 1 1 42 42 ALA CB C 13 18.020 0.3 . 1 . . . A 42 ALA CB . 25744 1 365 . 1 1 42 42 ALA N N 15 120.416 0.3 . 1 . . . A 42 ALA N . 25744 1 366 . 1 1 43 43 PHE H H 1 7.044 0.020 . 1 . . . A 43 PHE H . 25744 1 367 . 1 1 43 43 PHE HA H 1 4.439 0.020 . 1 . . . A 43 PHE HA . 25744 1 368 . 1 1 43 43 PHE HB2 H 1 3.326 0.020 . 2 . . . A 43 PHE HB2 . 25744 1 369 . 1 1 43 43 PHE HB3 H 1 2.280 0.020 . 2 . . . A 43 PHE HB3 . 25744 1 370 . 1 1 43 43 PHE HD1 H 1 7.411 0.020 . 1 . . . A 43 PHE HD1 . 25744 1 371 . 1 1 43 43 PHE HD2 H 1 7.411 0.020 . 1 . . . A 43 PHE HD2 . 25744 1 372 . 1 1 43 43 PHE HE1 H 1 7.163 0.020 . 1 . . . A 43 PHE HE1 . 25744 1 373 . 1 1 43 43 PHE HE2 H 1 7.163 0.020 . 1 . . . A 43 PHE HE2 . 25744 1 374 . 1 1 43 43 PHE CA C 13 57.911 0.3 . 1 . . . A 43 PHE CA . 25744 1 375 . 1 1 43 43 PHE CB C 13 38.711 0.3 . 1 . . . A 43 PHE CB . 25744 1 376 . 1 1 43 43 PHE CD1 C 13 135.645 0.3 . 1 . . . A 43 PHE CD1 . 25744 1 377 . 1 1 43 43 PHE CD2 C 13 135.645 0.3 . 1 . . . A 43 PHE CD2 . 25744 1 378 . 1 1 43 43 PHE CE1 C 13 131.608 0.3 . 1 . . . A 43 PHE CE1 . 25744 1 379 . 1 1 43 43 PHE CE2 C 13 131.608 0.3 . 1 . . . A 43 PHE CE2 . 25744 1 380 . 1 1 43 43 PHE N N 15 113.805 0.3 . 1 . . . A 43 PHE N . 25744 1 381 . 1 1 44 44 GLY H H 1 7.099 0.020 . 1 . . . A 44 GLY H . 25744 1 382 . 1 1 44 44 GLY HA2 H 1 3.793 0.020 . 2 . . . A 44 GLY HA2 . 25744 1 383 . 1 1 44 44 GLY HA3 H 1 3.442 0.020 . 2 . . . A 44 GLY HA3 . 25744 1 384 . 1 1 44 44 GLY CA C 13 45.963 0.3 . 1 . . . A 44 GLY CA . 25744 1 385 . 1 1 44 44 GLY N N 15 104.034 0.3 . 1 . . . A 44 GLY N . 25744 1 386 . 1 1 45 45 GLY H H 1 8.015 0.020 . 1 . . . A 45 GLY H . 25744 1 387 . 1 1 45 45 GLY HA2 H 1 2.584 0.020 . 2 . . . A 45 GLY HA2 . 25744 1 388 . 1 1 45 45 GLY HA3 H 1 2.558 0.020 . 2 . . . A 45 GLY HA3 . 25744 1 389 . 1 1 45 45 GLY CA C 13 44.622 0.3 . 1 . . . A 45 GLY CA . 25744 1 390 . 1 1 45 45 GLY N N 15 110.240 0.3 . 1 . . . A 45 GLY N . 25744 1 391 . 1 1 46 46 VAL H H 1 7.854 0.020 . 1 . . . A 46 VAL H . 25744 1 392 . 1 1 46 46 VAL HA H 1 4.236 0.020 . 1 . . . A 46 VAL HA . 25744 1 393 . 1 1 46 46 VAL HB H 1 1.833 0.020 . 1 . . . A 46 VAL HB . 25744 1 394 . 1 1 46 46 VAL HG11 H 1 0.785 0.020 . 2 . . . A 46 VAL HG1 . 25744 1 395 . 1 1 46 46 VAL HG12 H 1 0.785 0.020 . 2 . . . A 46 VAL HG1 . 25744 1 396 . 1 1 46 46 VAL HG13 H 1 0.785 0.020 . 2 . . . A 46 VAL HG1 . 25744 1 397 . 1 1 46 46 VAL HG21 H 1 0.741 0.020 . 2 . . . A 46 VAL HG2 . 25744 1 398 . 1 1 46 46 VAL HG22 H 1 0.741 0.020 . 2 . . . A 46 VAL HG2 . 25744 1 399 . 1 1 46 46 VAL HG23 H 1 0.741 0.020 . 2 . . . A 46 VAL HG2 . 25744 1 400 . 1 1 46 46 VAL CA C 13 60.910 0.3 . 1 . . . A 46 VAL CA . 25744 1 401 . 1 1 46 46 VAL CB C 13 34.444 0.3 . 1 . . . A 46 VAL CB . 25744 1 402 . 1 1 46 46 VAL CG1 C 13 20.462 0.3 . 1 . . . A 46 VAL CG1 . 25744 1 403 . 1 1 46 46 VAL CG2 C 13 20.862 0.3 . 1 . . . A 46 VAL CG2 . 25744 1 404 . 1 1 46 46 VAL N N 15 122.532 0.3 . 1 . . . A 46 VAL N . 25744 1 405 . 1 1 47 47 GLY HA2 H 1 3.893 0.020 . 2 . . . A 47 GLY HA2 . 25744 1 406 . 1 1 47 47 GLY HA3 H 1 3.744 0.020 . 2 . . . A 47 GLY HA3 . 25744 1 407 . 1 1 47 47 GLY CA C 13 45.230 0.3 . 1 . . . A 47 GLY CA . 25744 1 408 . 1 1 47 47 GLY N N 15 114.605 0.3 . 1 . . . A 47 GLY N . 25744 1 409 . 1 1 48 48 ASN H H 1 8.500 0.020 . 1 . . . A 48 ASN H . 25744 1 410 . 1 1 48 48 ASN HA H 1 4.083 0.020 . 1 . . . A 48 ASN HA . 25744 1 411 . 1 1 48 48 ASN HB2 H 1 2.508 0.020 . 2 . . . A 48 ASN HB2 . 25744 1 412 . 1 1 48 48 ASN HB3 H 1 2.082 0.020 . 2 . . . A 48 ASN HB3 . 25744 1 413 . 1 1 48 48 ASN CA C 13 57.494 0.3 . 1 . . . A 48 ASN CA . 25744 1 414 . 1 1 48 48 ASN CB C 13 31.011 0.3 . 1 . . . A 48 ASN CB . 25744 1 415 . 1 1 48 48 ASN N N 15 121.458 0.3 . 1 . . . A 48 ASN N . 25744 1 416 . 1 1 49 49 PRO HA H 1 2.839 0.020 . 1 . . . A 49 PRO HA . 25744 1 417 . 1 1 49 49 PRO HB2 H 1 1.041 0.020 . 2 . . . A 49 PRO HB2 . 25744 1 418 . 1 1 49 49 PRO HB3 H 1 0.535 0.020 . 2 . . . A 49 PRO HB3 . 25744 1 419 . 1 1 49 49 PRO HG2 H 1 1.040 0.020 . 2 . . . A 49 PRO HG2 . 25744 1 420 . 1 1 49 49 PRO HG3 H 1 -0.048 0.020 . 2 . . . A 49 PRO HG3 . 25744 1 421 . 1 1 49 49 PRO HD2 H 1 3.180 0.020 . 2 . . . A 49 PRO HD2 . 25744 1 422 . 1 1 49 49 PRO HD3 H 1 2.641 0.020 . 2 . . . A 49 PRO HD3 . 25744 1 423 . 1 1 49 49 PRO CA C 13 64.978 0.3 . 1 . . . A 49 PRO CA . 25744 1 424 . 1 1 49 49 PRO CB C 13 30.885 0.3 . 1 . . . A 49 PRO CB . 25744 1 425 . 1 1 49 49 PRO CG C 13 24.890 0.3 . 1 . . . A 49 PRO CG . 25744 1 426 . 1 1 49 49 PRO CD C 13 49.388 0.3 . 1 . . . A 49 PRO CD . 25744 1 427 . 1 1 50 50 ALA H H 1 7.787 0.020 . 1 . . . A 50 ALA H . 25744 1 428 . 1 1 50 50 ALA HA H 1 4.135 0.020 . 1 . . . A 50 ALA HA . 25744 1 429 . 1 1 50 50 ALA HB1 H 1 1.325 0.020 . 1 . . . A 50 ALA HB . 25744 1 430 . 1 1 50 50 ALA HB2 H 1 1.325 0.020 . 1 . . . A 50 ALA HB . 25744 1 431 . 1 1 50 50 ALA HB3 H 1 1.325 0.020 . 1 . . . A 50 ALA HB . 25744 1 432 . 1 1 50 50 ALA CA C 13 53.171 0.3 . 1 . . . A 50 ALA CA . 25744 1 433 . 1 1 50 50 ALA CB C 13 18.404 0.3 . 1 . . . A 50 ALA CB . 25744 1 434 . 1 1 50 50 ALA N N 15 110.593 0.3 . 1 . . . A 50 ALA N . 25744 1 435 . 1 1 51 51 ALA H H 1 7.436 0.020 . 1 . . . A 51 ALA H . 25744 1 436 . 1 1 51 51 ALA HA H 1 4.349 0.020 . 1 . . . A 51 ALA HA . 25744 1 437 . 1 1 51 51 ALA HB1 H 1 1.364 0.020 . 1 . . . A 51 ALA HB . 25744 1 438 . 1 1 51 51 ALA HB2 H 1 1.364 0.020 . 1 . . . A 51 ALA HB . 25744 1 439 . 1 1 51 51 ALA HB3 H 1 1.364 0.020 . 1 . . . A 51 ALA HB . 25744 1 440 . 1 1 51 51 ALA CA C 13 51.037 0.3 . 1 . . . A 51 ALA CA . 25744 1 441 . 1 1 51 51 ALA CB C 13 19.507 0.3 . 1 . . . A 51 ALA CB . 25744 1 442 . 1 1 51 51 ALA N N 15 118.962 0.3 . 1 . . . A 51 ALA N . 25744 1 443 . 1 1 52 52 ALA H H 1 7.080 0.020 . 1 . . . A 52 ALA H . 25744 1 444 . 1 1 52 52 ALA HA H 1 4.520 0.020 . 1 . . . A 52 ALA HA . 25744 1 445 . 1 1 52 52 ALA HB1 H 1 1.713 0.020 . 1 . . . A 52 ALA HB . 25744 1 446 . 1 1 52 52 ALA HB2 H 1 1.713 0.020 . 1 . . . A 52 ALA HB . 25744 1 447 . 1 1 52 52 ALA HB3 H 1 1.713 0.020 . 1 . . . A 52 ALA HB . 25744 1 448 . 1 1 52 52 ALA CA C 13 50.682 0.3 . 1 . . . A 52 ALA CA . 25744 1 449 . 1 1 52 52 ALA CB C 13 20.654 0.3 . 1 . . . A 52 ALA CB . 25744 1 450 . 1 1 52 52 ALA N N 15 122.852 0.3 . 1 . . . A 52 ALA N . 25744 1 451 . 1 1 53 53 SER H H 1 8.916 0.020 . 1 . . . A 53 SER H . 25744 1 452 . 1 1 53 53 SER HA H 1 4.255 0.020 . 1 . . . A 53 SER HA . 25744 1 453 . 1 1 53 53 SER HB2 H 1 4.260 0.020 . 2 . . . A 53 SER HB2 . 25744 1 454 . 1 1 53 53 SER HB3 H 1 4.002 0.020 . 2 . . . A 53 SER HB3 . 25744 1 455 . 1 1 53 53 SER CA C 13 57.437 0.3 . 1 . . . A 53 SER CA . 25744 1 456 . 1 1 53 53 SER CB C 13 64.914 0.3 . 1 . . . A 53 SER CB . 25744 1 457 . 1 1 53 53 SER N N 15 119.459 0.3 . 1 . . . A 53 SER N . 25744 1 458 . 1 1 54 54 ARG H H 1 8.791 0.020 . 1 . . . A 54 ARG H . 25744 1 459 . 1 1 54 54 ARG HA H 1 3.183 0.020 . 1 . . . A 54 ARG HA . 25744 1 460 . 1 1 54 54 ARG HB2 H 1 0.906 0.020 . 1 . . . A 54 ARG HB2 . 25744 1 461 . 1 1 54 54 ARG HB3 H 1 0.906 0.020 . 1 . . . A 54 ARG HB3 . 25744 1 462 . 1 1 54 54 ARG HG2 H 1 0.334 0.020 . 1 . . . A 54 ARG HG2 . 25744 1 463 . 1 1 54 54 ARG HG3 H 1 0.334 0.020 . 1 . . . A 54 ARG HG3 . 25744 1 464 . 1 1 54 54 ARG HD2 H 1 2.115 0.020 . 1 . . . A 54 ARG HD2 . 25744 1 465 . 1 1 54 54 ARG HD3 H 1 2.115 0.020 . 1 . . . A 54 ARG HD3 . 25744 1 466 . 1 1 54 54 ARG CA C 13 59.334 0.3 . 1 . . . A 54 ARG CA . 25744 1 467 . 1 1 54 54 ARG CB C 13 29.111 0.3 . 1 . . . A 54 ARG CB . 25744 1 468 . 1 1 54 54 ARG CG C 13 25.685 0.3 . 1 . . . A 54 ARG CG . 25744 1 469 . 1 1 54 54 ARG CD C 13 42.945 0.3 . 1 . . . A 54 ARG CD . 25744 1 470 . 1 1 54 54 ARG N N 15 122.357 0.3 . 1 . . . A 54 ARG N . 25744 1 471 . 1 1 55 55 GLU H H 1 8.214 0.020 . 1 . . . A 55 GLU H . 25744 1 472 . 1 1 55 55 GLU HA H 1 3.562 0.020 . 1 . . . A 55 GLU HA . 25744 1 473 . 1 1 55 55 GLU HB2 H 1 1.896 0.020 . 1 . . . A 55 GLU HB2 . 25744 1 474 . 1 1 55 55 GLU HB3 H 1 1.896 0.020 . 1 . . . A 55 GLU HB3 . 25744 1 475 . 1 1 55 55 GLU HG2 H 1 2.300 0.020 . 2 . . . A 55 GLU HG2 . 25744 1 476 . 1 1 55 55 GLU HG3 H 1 1.993 0.020 . 2 . . . A 55 GLU HG3 . 25744 1 477 . 1 1 55 55 GLU CA C 13 61.348 0.3 . 1 . . . A 55 GLU CA . 25744 1 478 . 1 1 55 55 GLU CB C 13 28.756 0.3 . 1 . . . A 55 GLU CB . 25744 1 479 . 1 1 55 55 GLU CG C 13 37.700 0.3 . 1 . . . A 55 GLU CG . 25744 1 480 . 1 1 55 55 GLU N N 15 114.989 0.3 . 1 . . . A 55 GLU N . 25744 1 481 . 1 1 56 56 GLN H H 1 7.975 0.020 . 1 . . . A 56 GLN H . 25744 1 482 . 1 1 56 56 GLN HA H 1 4.041 0.020 . 1 . . . A 56 GLN HA . 25744 1 483 . 1 1 56 56 GLN HB2 H 1 2.435 0.020 . 2 . . . A 56 GLN HB2 . 25744 1 484 . 1 1 56 56 GLN HB3 H 1 2.051 0.020 . 2 . . . A 56 GLN HB3 . 25744 1 485 . 1 1 56 56 GLN HG2 H 1 2.430 0.020 . 1 . . . A 56 GLN HG2 . 25744 1 486 . 1 1 56 56 GLN HG3 H 1 2.430 0.020 . 1 . . . A 56 GLN HG3 . 25744 1 487 . 1 1 56 56 GLN CA C 13 58.504 0.3 . 1 . . . A 56 GLN CA . 25744 1 488 . 1 1 56 56 GLN CB C 13 29.704 0.3 . 1 . . . A 56 GLN CB . 25744 1 489 . 1 1 56 56 GLN CG C 13 34.121 0.3 . 1 . . . A 56 GLN CG . 25744 1 490 . 1 1 56 56 GLN N N 15 121.065 0.3 . 1 . . . A 56 GLN N . 25744 1 491 . 1 1 57 57 GLN H H 1 8.492 0.020 . 1 . . . A 57 GLN H . 25744 1 492 . 1 1 57 57 GLN HA H 1 4.486 0.020 . 1 . . . A 57 GLN HA . 25744 1 493 . 1 1 57 57 GLN HB2 H 1 2.505 0.020 . 1 . . . A 57 GLN HB2 . 25744 1 494 . 1 1 57 57 GLN HB3 H 1 2.505 0.020 . 1 . . . A 57 GLN HB3 . 25744 1 495 . 1 1 57 57 GLN HG2 H 1 2.749 0.020 . 2 . . . A 57 GLN HG2 . 25744 1 496 . 1 1 57 57 GLN HG3 H 1 2.287 0.020 . 2 . . . A 57 GLN HG3 . 25744 1 497 . 1 1 57 57 GLN CA C 13 60.400 0.3 . 1 . . . A 57 GLN CA . 25744 1 498 . 1 1 57 57 GLN CB C 13 30.178 0.3 . 1 . . . A 57 GLN CB . 25744 1 499 . 1 1 57 57 GLN CG C 13 36.797 0.3 . 1 . . . A 57 GLN CG . 25744 1 500 . 1 1 57 57 GLN N N 15 120.192 0.3 . 1 . . . A 57 GLN N . 25744 1 501 . 1 1 58 58 ILE H H 1 8.347 0.020 . 1 . . . A 58 ILE H . 25744 1 502 . 1 1 58 58 ILE HA H 1 2.874 0.020 . 1 . . . A 58 ILE HA . 25744 1 503 . 1 1 58 58 ILE HB H 1 1.491 0.020 . 1 . . . A 58 ILE HB . 25744 1 504 . 1 1 58 58 ILE HG12 H 1 1.564 0.020 . 1 . . . A 58 ILE HG12 . 25744 1 505 . 1 1 58 58 ILE HG13 H 1 1.564 0.020 . 1 . . . A 58 ILE HG13 . 25744 1 506 . 1 1 58 58 ILE HG21 H 1 0.676 0.020 . 1 . . . A 58 ILE HG2 . 25744 1 507 . 1 1 58 58 ILE HG22 H 1 0.676 0.020 . 1 . . . A 58 ILE HG2 . 25744 1 508 . 1 1 58 58 ILE HG23 H 1 0.676 0.020 . 1 . . . A 58 ILE HG2 . 25744 1 509 . 1 1 58 58 ILE HD11 H 1 0.609 0.020 . 1 . . . A 58 ILE HD1 . 25744 1 510 . 1 1 58 58 ILE HD12 H 1 0.609 0.020 . 1 . . . A 58 ILE HD1 . 25744 1 511 . 1 1 58 58 ILE HD13 H 1 0.609 0.020 . 1 . . . A 58 ILE HD1 . 25744 1 512 . 1 1 58 58 ILE CA C 13 65.952 0.3 . 1 . . . A 58 ILE CA . 25744 1 513 . 1 1 58 58 ILE CB C 13 37.747 0.3 . 1 . . . A 58 ILE CB . 25744 1 514 . 1 1 58 58 ILE CG1 C 13 30.399 0.3 . 1 . . . A 58 ILE CG1 . 25744 1 515 . 1 1 58 58 ILE CG2 C 13 16.650 0.3 . 1 . . . A 58 ILE CG2 . 25744 1 516 . 1 1 58 58 ILE CD1 C 13 13.656 0.3 . 1 . . . A 58 ILE CD1 . 25744 1 517 . 1 1 58 58 ILE N N 15 120.157 0.3 . 1 . . . A 58 ILE N . 25744 1 518 . 1 1 59 59 ALA H H 1 7.657 0.020 . 1 . . . A 59 ALA H . 25744 1 519 . 1 1 59 59 ALA HA H 1 4.038 0.020 . 1 . . . A 59 ALA HA . 25744 1 520 . 1 1 59 59 ALA HB1 H 1 1.334 0.020 . 1 . . . A 59 ALA HB . 25744 1 521 . 1 1 59 59 ALA HB2 H 1 1.334 0.020 . 1 . . . A 59 ALA HB . 25744 1 522 . 1 1 59 59 ALA HB3 H 1 1.334 0.020 . 1 . . . A 59 ALA HB . 25744 1 523 . 1 1 59 59 ALA CA C 13 55.304 0.3 . 1 . . . A 59 ALA CA . 25744 1 524 . 1 1 59 59 ALA CB C 13 17.970 0.3 . 1 . . . A 59 ALA CB . 25744 1 525 . 1 1 59 59 ALA N N 15 121.345 0.3 . 1 . . . A 59 ALA N . 25744 1 526 . 1 1 60 60 VAL H H 1 7.144 0.020 . 1 . . . A 60 VAL H . 25744 1 527 . 1 1 60 60 VAL HA H 1 3.400 0.020 . 1 . . . A 60 VAL HA . 25744 1 528 . 1 1 60 60 VAL HB H 1 1.744 0.020 . 1 . . . A 60 VAL HB . 25744 1 529 . 1 1 60 60 VAL HG11 H 1 0.373 0.020 . 2 . . . A 60 VAL HG1 . 25744 1 530 . 1 1 60 60 VAL HG12 H 1 0.373 0.020 . 2 . . . A 60 VAL HG1 . 25744 1 531 . 1 1 60 60 VAL HG13 H 1 0.373 0.020 . 2 . . . A 60 VAL HG1 . 25744 1 532 . 1 1 60 60 VAL HG21 H 1 -0.170 0.020 . 2 . . . A 60 VAL HG2 . 25744 1 533 . 1 1 60 60 VAL HG22 H 1 -0.170 0.020 . 2 . . . A 60 VAL HG2 . 25744 1 534 . 1 1 60 60 VAL HG23 H 1 -0.170 0.020 . 2 . . . A 60 VAL HG2 . 25744 1 535 . 1 1 60 60 VAL CA C 13 66.208 0.3 . 1 . . . A 60 VAL CA . 25744 1 536 . 1 1 60 60 VAL CB C 13 31.481 0.3 . 1 . . . A 60 VAL CB . 25744 1 537 . 1 1 60 60 VAL CG1 C 13 21.326 0.3 . 1 . . . A 60 VAL CG1 . 25744 1 538 . 1 1 60 60 VAL CG2 C 13 20.851 0.3 . 1 . . . A 60 VAL CG2 . 25744 1 539 . 1 1 60 60 VAL N N 15 117.152 0.3 . 1 . . . A 60 VAL N . 25744 1 540 . 1 1 61 61 ALA H H 1 8.225 0.020 . 1 . . . A 61 ALA H . 25744 1 541 . 1 1 61 61 ALA HB1 H 1 0.284 0.020 . 1 . . . A 61 ALA HB . 25744 1 542 . 1 1 61 61 ALA HB2 H 1 0.284 0.020 . 1 . . . A 61 ALA HB . 25744 1 543 . 1 1 61 61 ALA HB3 H 1 0.284 0.020 . 1 . . . A 61 ALA HB . 25744 1 544 . 1 1 61 61 ALA CA C 13 56.371 0.3 . 1 . . . A 61 ALA CA . 25744 1 545 . 1 1 61 61 ALA CB C 13 16.482 0.3 . 1 . . . A 61 ALA CB . 25744 1 546 . 1 1 61 61 ALA N N 15 123.936 0.3 . 1 . . . A 61 ALA N . 25744 1 547 . 1 1 62 62 ASN H H 1 8.500 0.020 . 1 . . . A 62 ASN H . 25744 1 548 . 1 1 62 62 ASN HA H 1 4.806 0.020 . 1 . . . A 62 ASN HA . 25744 1 549 . 1 1 62 62 ASN HB2 H 1 2.798 0.020 . 2 . . . A 62 ASN HB2 . 25744 1 550 . 1 1 62 62 ASN HB3 H 1 2.729 0.020 . 2 . . . A 62 ASN HB3 . 25744 1 551 . 1 1 62 62 ASN CA C 13 56.845 0.3 . 1 . . . A 62 ASN CA . 25744 1 552 . 1 1 62 62 ASN CB C 13 38.356 0.3 . 1 . . . A 62 ASN CB . 25744 1 553 . 1 1 62 62 ASN N N 15 114.116 0.3 . 1 . . . A 62 ASN N . 25744 1 554 . 1 1 63 63 ARG H H 1 7.474 0.020 . 1 . . . A 63 ARG H . 25744 1 555 . 1 1 63 63 ARG HA H 1 4.201 0.020 . 1 . . . A 63 ARG HA . 25744 1 556 . 1 1 63 63 ARG HB2 H 1 2.291 0.020 . 2 . . . A 63 ARG HB2 . 25744 1 557 . 1 1 63 63 ARG HB3 H 1 2.099 0.020 . 2 . . . A 63 ARG HB3 . 25744 1 558 . 1 1 63 63 ARG HG2 H 1 1.993 0.020 . 1 . . . A 63 ARG HG2 . 25744 1 559 . 1 1 63 63 ARG HG3 H 1 1.993 0.020 . 1 . . . A 63 ARG HG3 . 25744 1 560 . 1 1 63 63 ARG HD2 H 1 3.272 0.020 . 1 . . . A 63 ARG HD2 . 25744 1 561 . 1 1 63 63 ARG HD3 H 1 3.272 0.020 . 1 . . . A 63 ARG HD3 . 25744 1 562 . 1 1 63 63 ARG CA C 13 59.926 0.3 . 1 . . . A 63 ARG CA . 25744 1 563 . 1 1 63 63 ARG CB C 13 30.889 0.3 . 1 . . . A 63 ARG CB . 25744 1 564 . 1 1 63 63 ARG CG C 13 28.537 0.3 . 1 . . . A 63 ARG CG . 25744 1 565 . 1 1 63 63 ARG CD C 13 44.151 0.3 . 1 . . . A 63 ARG CD . 25744 1 566 . 1 1 63 63 ARG N N 15 122.173 0.3 . 1 . . . A 63 ARG N . 25744 1 567 . 1 1 64 64 VAL H H 1 8.107 0.020 . 1 . . . A 64 VAL H . 25744 1 568 . 1 1 64 64 VAL HA H 1 2.276 0.020 . 1 . . . A 64 VAL HA . 25744 1 569 . 1 1 64 64 VAL HB H 1 1.426 0.020 . 1 . . . A 64 VAL HB . 25744 1 570 . 1 1 64 64 VAL HG11 H 1 0.472 0.020 . 2 . . . A 64 VAL HG1 . 25744 1 571 . 1 1 64 64 VAL HG12 H 1 0.472 0.020 . 2 . . . A 64 VAL HG1 . 25744 1 572 . 1 1 64 64 VAL HG13 H 1 0.472 0.020 . 2 . . . A 64 VAL HG1 . 25744 1 573 . 1 1 64 64 VAL HG21 H 1 0.485 0.020 . 2 . . . A 64 VAL HG2 . 25744 1 574 . 1 1 64 64 VAL HG22 H 1 0.485 0.020 . 2 . . . A 64 VAL HG2 . 25744 1 575 . 1 1 64 64 VAL HG23 H 1 0.485 0.020 . 2 . . . A 64 VAL HG2 . 25744 1 576 . 1 1 64 64 VAL CA C 13 65.852 0.3 . 1 . . . A 64 VAL CA . 25744 1 577 . 1 1 64 64 VAL CB C 13 31.718 0.3 . 1 . . . A 64 VAL CB . 25744 1 578 . 1 1 64 64 VAL CG1 C 13 22.080 0.3 . 1 . . . A 64 VAL CG1 . 25744 1 579 . 1 1 64 64 VAL CG2 C 13 21.020 0.3 . 1 . . . A 64 VAL CG2 . 25744 1 580 . 1 1 64 64 VAL N N 15 121.659 0.3 . 1 . . . A 64 VAL N . 25744 1 581 . 1 1 65 65 LEU H H 1 8.948 0.020 . 1 . . . A 65 LEU H . 25744 1 582 . 1 1 65 65 LEU HA H 1 4.353 0.020 . 1 . . . A 65 LEU HA . 25744 1 583 . 1 1 65 65 LEU HB2 H 1 2.211 0.020 . 1 . . . A 65 LEU HB2 . 25744 1 584 . 1 1 65 65 LEU HB3 H 1 2.211 0.020 . 1 . . . A 65 LEU HB3 . 25744 1 585 . 1 1 65 65 LEU HG H 1 1.603 0.020 . 1 . . . A 65 LEU HG . 25744 1 586 . 1 1 65 65 LEU HD11 H 1 0.869 0.020 . 2 . . . A 65 LEU HD1 . 25744 1 587 . 1 1 65 65 LEU HD12 H 1 0.869 0.020 . 2 . . . A 65 LEU HD1 . 25744 1 588 . 1 1 65 65 LEU HD13 H 1 0.869 0.020 . 2 . . . A 65 LEU HD1 . 25744 1 589 . 1 1 65 65 LEU HD21 H 1 0.502 0.020 . 2 . . . A 65 LEU HD2 . 25744 1 590 . 1 1 65 65 LEU HD22 H 1 0.502 0.020 . 2 . . . A 65 LEU HD2 . 25744 1 591 . 1 1 65 65 LEU HD23 H 1 0.502 0.020 . 2 . . . A 65 LEU HD2 . 25744 1 592 . 1 1 65 65 LEU CA C 13 57.556 0.3 . 1 . . . A 65 LEU CA . 25744 1 593 . 1 1 65 65 LEU CB C 13 43.333 0.3 . 1 . . . A 65 LEU CB . 25744 1 594 . 1 1 65 65 LEU CG C 13 27.039 0.3 . 1 . . . A 65 LEU CG . 25744 1 595 . 1 1 65 65 LEU CD1 C 13 23.795 0.3 . 1 . . . A 65 LEU CD1 . 25744 1 596 . 1 1 65 65 LEU CD2 C 13 19.502 0.3 . 1 . . . A 65 LEU CD2 . 25744 1 597 . 1 1 65 65 LEU N N 15 120.681 0.3 . 1 . . . A 65 LEU N . 25744 1 598 . 1 1 66 66 ALA H H 1 7.390 0.020 . 1 . . . A 66 ALA H . 25744 1 599 . 1 1 66 66 ALA HA H 1 4.075 0.020 . 1 . . . A 66 ALA HA . 25744 1 600 . 1 1 66 66 ALA HB1 H 1 1.552 0.020 . 1 . . . A 66 ALA HB . 25744 1 601 . 1 1 66 66 ALA HB2 H 1 1.552 0.020 . 1 . . . A 66 ALA HB . 25744 1 602 . 1 1 66 66 ALA HB3 H 1 1.552 0.020 . 1 . . . A 66 ALA HB . 25744 1 603 . 1 1 66 66 ALA CA C 13 54.830 0.3 . 1 . . . A 66 ALA CA . 25744 1 604 . 1 1 66 66 ALA CB C 13 19.155 0.3 . 1 . . . A 66 ALA CB . 25744 1 605 . 1 1 66 66 ALA N N 15 118.509 0.3 . 1 . . . A 66 ALA N . 25744 1 606 . 1 1 67 67 GLU H H 1 7.369 0.020 . 1 . . . A 67 GLU H . 25744 1 607 . 1 1 67 67 GLU HA H 1 4.490 0.020 . 1 . . . A 67 GLU HA . 25744 1 608 . 1 1 67 67 GLU HB2 H 1 2.220 0.020 . 2 . . . A 67 GLU HB2 . 25744 1 609 . 1 1 67 67 GLU HB3 H 1 2.127 0.020 . 2 . . . A 67 GLU HB3 . 25744 1 610 . 1 1 67 67 GLU HG2 H 1 2.465 0.020 . 2 . . . A 67 GLU HG2 . 25744 1 611 . 1 1 67 67 GLU HG3 H 1 2.385 0.020 . 2 . . . A 67 GLU HG3 . 25744 1 612 . 1 1 67 67 GLU CA C 13 57.700 0.3 . 1 . . . A 67 GLU CA . 25744 1 613 . 1 1 67 67 GLU CB C 13 32.531 0.3 . 1 . . . A 67 GLU CB . 25744 1 614 . 1 1 67 67 GLU CG C 13 36.850 0.3 . 1 . . . A 67 GLU CG . 25744 1 615 . 1 1 67 67 GLU N N 15 114.309 0.3 . 1 . . . A 67 GLU N . 25744 1 616 . 1 1 68 68 GLN H H 1 8.914 0.020 . 1 . . . A 68 GLN H . 25744 1 617 . 1 1 68 68 GLN HA H 1 4.519 0.020 . 1 . . . A 68 GLN HA . 25744 1 618 . 1 1 68 68 GLN HB2 H 1 2.091 0.020 . 2 . . . A 68 GLN HB2 . 25744 1 619 . 1 1 68 68 GLN HB3 H 1 1.833 0.020 . 2 . . . A 68 GLN HB3 . 25744 1 620 . 1 1 68 68 GLN HG2 H 1 2.332 0.020 . 2 . . . A 68 GLN HG2 . 25744 1 621 . 1 1 68 68 GLN HG3 H 1 2.246 0.020 . 2 . . . A 68 GLN HG3 . 25744 1 622 . 1 1 68 68 GLN CA C 13 55.778 0.3 . 1 . . . A 68 GLN CA . 25744 1 623 . 1 1 68 68 GLN CB C 13 30.889 0.3 . 1 . . . A 68 GLN CB . 25744 1 624 . 1 1 68 68 GLN CG C 13 34.258 0.3 . 1 . . . A 68 GLN CG . 25744 1 625 . 1 1 68 68 GLN N N 15 116.281 0.3 . 1 . . . A 68 GLN N . 25744 1 626 . 1 1 69 69 GLY H H 1 8.134 0.020 . 1 . . . A 69 GLY H . 25744 1 627 . 1 1 69 69 GLY HA2 H 1 4.172 0.020 . 2 . . . A 69 GLY HA2 . 25744 1 628 . 1 1 69 69 GLY HA3 H 1 3.927 0.020 . 2 . . . A 69 GLY HA3 . 25744 1 629 . 1 1 69 69 GLY CA C 13 45.941 0.3 . 1 . . . A 69 GLY CA . 25744 1 630 . 1 1 69 69 GLY N N 15 109.577 0.3 . 1 . . . A 69 GLY N . 25744 1 631 . 1 1 70 70 LEU H H 1 8.519 0.020 . 1 . . . A 70 LEU H . 25744 1 632 . 1 1 70 70 LEU HA H 1 4.448 0.020 . 1 . . . A 70 LEU HA . 25744 1 633 . 1 1 70 70 LEU HB2 H 1 1.840 0.020 . 2 . . . A 70 LEU HB2 . 25744 1 634 . 1 1 70 70 LEU HB3 H 1 1.613 0.020 . 2 . . . A 70 LEU HB3 . 25744 1 635 . 1 1 70 70 LEU HG H 1 1.587 0.020 . 1 . . . A 70 LEU HG . 25744 1 636 . 1 1 70 70 LEU HD11 H 1 0.526 0.020 . 2 . . . A 70 LEU HD1 . 25744 1 637 . 1 1 70 70 LEU HD12 H 1 0.526 0.020 . 2 . . . A 70 LEU HD1 . 25744 1 638 . 1 1 70 70 LEU HD13 H 1 0.526 0.020 . 2 . . . A 70 LEU HD1 . 25744 1 639 . 1 1 70 70 LEU HD21 H 1 0.375 0.020 . 2 . . . A 70 LEU HD2 . 25744 1 640 . 1 1 70 70 LEU HD22 H 1 0.375 0.020 . 2 . . . A 70 LEU HD2 . 25744 1 641 . 1 1 70 70 LEU HD23 H 1 0.375 0.020 . 2 . . . A 70 LEU HD2 . 25744 1 642 . 1 1 70 70 LEU CA C 13 54.522 0.3 . 1 . . . A 70 LEU CA . 25744 1 643 . 1 1 70 70 LEU CB C 13 41.954 0.3 . 1 . . . A 70 LEU CB . 25744 1 644 . 1 1 70 70 LEU CG C 13 25.533 0.3 . 1 . . . A 70 LEU CG . 25744 1 645 . 1 1 70 70 LEU CD1 C 13 23.633 0.3 . 1 . . . A 70 LEU CD1 . 25744 1 646 . 1 1 70 70 LEU CD2 C 13 22.769 0.3 . 1 . . . A 70 LEU CD2 . 25744 1 647 . 1 1 70 70 LEU N N 15 121.331 0.3 . 1 . . . A 70 LEU N . 25744 1 648 . 1 1 71 71 ASP H H 1 7.718 0.020 . 1 . . . A 71 ASP H . 25744 1 649 . 1 1 71 71 ASP HA H 1 4.093 0.020 . 1 . . . A 71 ASP HA . 25744 1 650 . 1 1 71 71 ASP HB2 H 1 2.524 0.020 . 1 . . . A 71 ASP HB2 . 25744 1 651 . 1 1 71 71 ASP HB3 H 1 2.524 0.020 . 1 . . . A 71 ASP HB3 . 25744 1 652 . 1 1 71 71 ASP CA C 13 57.082 0.3 . 1 . . . A 71 ASP CA . 25744 1 653 . 1 1 71 71 ASP CB C 13 40.844 0.3 . 1 . . . A 71 ASP CB . 25744 1 654 . 1 1 71 71 ASP N N 15 120.681 0.3 . 1 . . . A 71 ASP N . 25744 1 655 . 1 1 72 72 ALA H H 1 8.009 0.020 . 1 . . . A 72 ALA H . 25744 1 656 . 1 1 72 72 ALA HA H 1 3.654 0.020 . 1 . . . A 72 ALA HA . 25744 1 657 . 1 1 72 72 ALA HB1 H 1 0.105 0.020 . 1 . . . A 72 ALA HB . 25744 1 658 . 1 1 72 72 ALA HB2 H 1 0.105 0.020 . 1 . . . A 72 ALA HB . 25744 1 659 . 1 1 72 72 ALA HB3 H 1 0.105 0.020 . 1 . . . A 72 ALA HB . 25744 1 660 . 1 1 72 72 ALA CA C 13 53.289 0.3 . 1 . . . A 72 ALA CA . 25744 1 661 . 1 1 72 72 ALA CB C 13 15.885 0.3 . 1 . . . A 72 ALA CB . 25744 1 662 . 1 1 72 72 ALA N N 15 119.110 0.3 . 1 . . . A 72 ALA N . 25744 1 663 . 1 1 73 73 TRP H H 1 7.791 0.020 . 1 . . . A 73 TRP H . 25744 1 664 . 1 1 73 73 TRP HA H 1 4.845 0.020 . 1 . . . A 73 TRP HA . 25744 1 665 . 1 1 73 73 TRP HB2 H 1 2.980 0.020 . 2 . . . A 73 TRP HB2 . 25744 1 666 . 1 1 73 73 TRP HB3 H 1 2.925 0.020 . 2 . . . A 73 TRP HB3 . 25744 1 667 . 1 1 73 73 TRP HD1 H 1 7.363 0.020 . 1 . . . A 73 TRP HD1 . 25744 1 668 . 1 1 73 73 TRP HE3 H 1 7.200 0.020 . 1 . . . A 73 TRP HE3 . 25744 1 669 . 1 1 73 73 TRP HZ2 H 1 6.560 0.020 . 1 . . . A 73 TRP HZ2 . 25744 1 670 . 1 1 73 73 TRP HZ3 H 1 6.805 0.020 . 1 . . . A 73 TRP HZ3 . 25744 1 671 . 1 1 73 73 TRP HH2 H 1 6.909 0.020 . 1 . . . A 73 TRP HH2 . 25744 1 672 . 1 1 73 73 TRP CA C 13 56.963 0.3 . 1 . . . A 73 TRP CA . 25744 1 673 . 1 1 73 73 TRP CB C 13 28.163 0.3 . 1 . . . A 73 TRP CB . 25744 1 674 . 1 1 73 73 TRP CD1 C 13 130.906 0.3 . 1 . . . A 73 TRP CD1 . 25744 1 675 . 1 1 73 73 TRP CE3 C 13 134.129 0.3 . 1 . . . A 73 TRP CE3 . 25744 1 676 . 1 1 73 73 TRP CZ2 C 13 116.321 0.3 . 1 . . . A 73 TRP CZ2 . 25744 1 677 . 1 1 73 73 TRP CZ3 C 13 125.025 0.3 . 1 . . . A 73 TRP CZ3 . 25744 1 678 . 1 1 73 73 TRP CH2 C 13 126.115 0.3 . 1 . . . A 73 TRP CH2 . 25744 1 679 . 1 1 73 73 TRP N N 15 117.503 0.3 . 1 . . . A 73 TRP N . 25744 1 680 . 1 1 74 74 PRO HA H 1 4.309 0.020 . 1 . . . A 74 PRO HA . 25744 1 681 . 1 1 74 74 PRO HB2 H 1 1.935 0.020 . 1 . . . A 74 PRO HB2 . 25744 1 682 . 1 1 74 74 PRO HB3 H 1 1.935 0.020 . 1 . . . A 74 PRO HB3 . 25744 1 683 . 1 1 74 74 PRO HG2 H 1 1.968 0.020 . 1 . . . A 74 PRO HG2 . 25744 1 684 . 1 1 74 74 PRO HG3 H 1 1.968 0.020 . 1 . . . A 74 PRO HG3 . 25744 1 685 . 1 1 74 74 PRO HD2 H 1 3.652 0.020 . 2 . . . A 74 PRO HD2 . 25744 1 686 . 1 1 74 74 PRO HD3 H 1 3.334 0.020 . 2 . . . A 74 PRO HD3 . 25744 1 687 . 1 1 74 74 PRO CA C 13 65.586 0.3 . 1 . . . A 74 PRO CA . 25744 1 688 . 1 1 74 74 PRO CB C 13 32.234 0.3 . 1 . . . A 74 PRO CB . 25744 1 689 . 1 1 74 74 PRO CG C 13 27.513 0.3 . 1 . . . A 74 PRO CG . 25744 1 690 . 1 1 74 74 PRO CD C 13 50.225 0.3 . 1 . . . A 74 PRO CD . 25744 1 691 . 1 1 75 75 THR H H 1 8.197 0.020 . 1 . . . A 75 THR H . 25744 1 692 . 1 1 75 75 THR HA H 1 4.409 0.020 . 1 . . . A 75 THR HA . 25744 1 693 . 1 1 75 75 THR HB H 1 4.141 0.020 . 1 . . . A 75 THR HB . 25744 1 694 . 1 1 75 75 THR HG21 H 1 1.081 0.020 . 1 . . . A 75 THR HG2 . 25744 1 695 . 1 1 75 75 THR HG22 H 1 1.081 0.020 . 1 . . . A 75 THR HG2 . 25744 1 696 . 1 1 75 75 THR HG23 H 1 1.081 0.020 . 1 . . . A 75 THR HG2 . 25744 1 697 . 1 1 75 75 THR CA C 13 63.482 0.3 . 1 . . . A 75 THR CA . 25744 1 698 . 1 1 75 75 THR CB C 13 68.815 0.3 . 1 . . . A 75 THR CB . 25744 1 699 . 1 1 75 75 THR CG2 C 13 22.343 0.3 . 1 . . . A 75 THR CG2 . 25744 1 700 . 1 1 75 75 THR N N 15 111.008 0.3 . 1 . . . A 75 THR N . 25744 1 701 . 1 1 76 76 CYS H H 1 8.144 0.020 . 1 . . . A 76 CYS H . 25744 1 702 . 1 1 76 76 CYS HA H 1 4.853 0.020 . 1 . . . A 76 CYS HA . 25744 1 703 . 1 1 76 76 CYS HB2 H 1 3.440 0.020 . 2 . . . A 76 CYS HB2 . 25744 1 704 . 1 1 76 76 CYS HB3 H 1 3.191 0.020 . 2 . . . A 76 CYS HB3 . 25744 1 705 . 1 1 76 76 CYS CA C 13 54.853 0.3 . 1 . . . A 76 CYS CA . 25744 1 706 . 1 1 76 76 CYS CB C 13 39.280 0.3 . 1 . . . A 76 CYS CB . 25744 1 707 . 1 1 76 76 CYS N N 15 119.131 0.3 . 1 . . . A 76 CYS N . 25744 1 708 . 1 1 77 77 GLY H H 1 8.774 0.020 . 1 . . . A 77 GLY H . 25744 1 709 . 1 1 77 77 GLY HA2 H 1 4.153 0.020 . 2 . . . A 77 GLY HA2 . 25744 1 710 . 1 1 77 77 GLY HA3 H 1 3.593 0.020 . 2 . . . A 77 GLY HA3 . 25744 1 711 . 1 1 77 77 GLY CA C 13 48.430 0.3 . 1 . . . A 77 GLY CA . 25744 1 712 . 1 1 77 77 GLY N N 15 110.834 0.3 . 1 . . . A 77 GLY N . 25744 1 713 . 1 1 78 78 ALA H H 1 8.142 0.020 . 1 . . . A 78 ALA H . 25744 1 714 . 1 1 78 78 ALA HA H 1 4.138 0.020 . 1 . . . A 78 ALA HA . 25744 1 715 . 1 1 78 78 ALA HB1 H 1 1.282 0.020 . 1 . . . A 78 ALA HB . 25744 1 716 . 1 1 78 78 ALA HB2 H 1 1.282 0.020 . 1 . . . A 78 ALA HB . 25744 1 717 . 1 1 78 78 ALA HB3 H 1 1.282 0.020 . 1 . . . A 78 ALA HB . 25744 1 718 . 1 1 78 78 ALA CA C 13 53.882 0.3 . 1 . . . A 78 ALA CA . 25744 1 719 . 1 1 78 78 ALA CB C 13 18.563 0.3 . 1 . . . A 78 ALA CB . 25744 1 720 . 1 1 78 78 ALA N N 15 123.300 0.3 . 1 . . . A 78 ALA N . 25744 1 721 . 1 1 80 80 SER H H 1 7.742 0.020 . 1 . . . A 80 SER H . 25744 1 722 . 1 1 80 80 SER HA H 1 3.762 0.020 . 1 . . . A 80 SER HA . 25744 1 723 . 1 1 80 80 SER HB2 H 1 3.423 0.020 . 2 . . . A 80 SER HB2 . 25744 1 724 . 1 1 80 80 SER HB3 H 1 3.194 0.020 . 2 . . . A 80 SER HB3 . 25744 1 725 . 1 1 80 80 SER CA C 13 59.723 0.3 . 1 . . . A 80 SER CA . 25744 1 726 . 1 1 80 80 SER CB C 13 63.648 0.3 . 1 . . . A 80 SER CB . 25744 1 727 . 1 1 80 80 SER N N 15 111.423 0.3 . 1 . . . A 80 SER N . 25744 1 728 . 1 1 81 81 GLY H H 1 7.562 0.020 . 1 . . . A 81 GLY H . 25744 1 729 . 1 1 81 81 GLY HA2 H 1 3.945 0.020 . 2 . . . A 81 GLY HA2 . 25744 1 730 . 1 1 81 81 GLY HA3 H 1 3.715 0.020 . 2 . . . A 81 GLY HA3 . 25744 1 731 . 1 1 81 81 GLY CA C 13 45.430 0.3 . 1 . . . A 81 GLY CA . 25744 1 732 . 1 1 81 81 GLY N N 15 111.317 0.3 . 1 . . . A 81 GLY N . 25744 1 733 . 1 1 82 82 LEU H H 1 7.340 0.020 . 1 . . . A 82 LEU H . 25744 1 734 . 1 1 82 82 LEU HA H 1 3.960 0.020 . 1 . . . A 82 LEU HA . 25744 1 735 . 1 1 82 82 LEU HB2 H 1 1.400 0.020 . 1 . . . A 82 LEU HB2 . 25744 1 736 . 1 1 82 82 LEU HB3 H 1 1.400 0.020 . 1 . . . A 82 LEU HB3 . 25744 1 737 . 1 1 82 82 LEU HG H 1 1.214 0.020 . 1 . . . A 82 LEU HG . 25744 1 738 . 1 1 82 82 LEU HD11 H 1 0.613 0.020 . 2 . . . A 82 LEU HD1 . 25744 1 739 . 1 1 82 82 LEU HD12 H 1 0.613 0.020 . 2 . . . A 82 LEU HD1 . 25744 1 740 . 1 1 82 82 LEU HD13 H 1 0.613 0.020 . 2 . . . A 82 LEU HD1 . 25744 1 741 . 1 1 82 82 LEU HD21 H 1 0.537 0.020 . 2 . . . A 82 LEU HD2 . 25744 1 742 . 1 1 82 82 LEU HD22 H 1 0.537 0.020 . 2 . . . A 82 LEU HD2 . 25744 1 743 . 1 1 82 82 LEU HD23 H 1 0.537 0.020 . 2 . . . A 82 LEU HD2 . 25744 1 744 . 1 1 82 82 LEU CA C 13 56.252 0.3 . 1 . . . A 82 LEU CA . 25744 1 745 . 1 1 82 82 LEU CB C 13 42.978 0.3 . 1 . . . A 82 LEU CB . 25744 1 746 . 1 1 82 82 LEU CG C 13 27.762 0.3 . 1 . . . A 82 LEU CG . 25744 1 747 . 1 1 82 82 LEU CD1 C 13 25.627 0.3 . 1 . . . A 82 LEU CD1 . 25744 1 748 . 1 1 82 82 LEU CD2 C 13 22.999 0.3 . 1 . . . A 82 LEU CD2 . 25744 1 749 . 1 1 82 82 LEU N N 15 126.471 0.3 . 1 . . . A 82 LEU N . 25744 1 stop_ save_