data_15106 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15106 _Entry.Title ; Solution Structure of the second Clip domain in PAP2 (CASP Target) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-22 _Entry.Accession_date 2007-01-22 _Entry.Last_release_date 2008-06-25 _Entry.Original_release_date 2008-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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.Entry_ID 1 R. Huang R. D. . 15106 2 Z. Lv Z. Q. . 15106 3 H. Dai H. E. . 15106 4 D. Velde D. V. . 15106 5 O. Prakash O. . . 15106 6 H. Jiang H. B. . 15106 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BETA-SHEET BETA-SHEET 15106 'DOUBLE HELIX' 'DOUBLE HELIX' 15106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 15106 '15N chemical shifts' 51 15106 '1H chemical shifts' 291 15106 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-25 2007-01-22 original author . 15106 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15105 'Clip, first domain' 15106 PDB 2IKE 'BMRB Entry Tracking System' 15106 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15106 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17880110 _Citation.Full_citation . _Citation.Title 'The solution structure of clip domains from Manduca sexta prophenoloxidase activating proteinase-2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 41 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11431 _Citation.Page_last 11439 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 R. Huang R. D. . 15106 1 2 Z. Lu Z. Q. . 15106 1 3 H. Dai H. E. . 15106 1 4 D. Velde D. V. . 15106 1 5 O. Prakash O. . . 15106 1 6 H. Jiang H. B. . 15106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15106 _Assembly.ID 1 _Assembly.Name 'clip monomer' _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 'clip domain' 1 $Prophenoloxidase_activating_proteinase-2 A . yes native no no . . . 15106 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 'clip domain' 1 CYS 3 3 SG . 1 'clip domain' 1 CYS 52 52 SG . . . . . . . . . . 15106 1 2 disulfide single . 1 'clip domain' 1 CYS 13 13 SG . 1 'clip domain' 1 CYS 43 43 SG . . . . . . . . . . 15106 1 3 disulfide single . 1 'clip domain' 1 CYS 19 19 SG . 1 'clip domain' 1 CYS 53 53 SG . . . . . . . . . . 15106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prophenoloxidase_activating_proteinase-2 _Entity.Sf_category entity _Entity.Sf_framecode Prophenoloxidase_activating_proteinase-2 _Entity.Entry_ID 15106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prophenoloxidase_activating_proteinase-2 _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 ; LSCLTPDNKPGKCVNIKKCT HLAEIEEDPIGEDETTYLKN SVCAGPEDNSVCCG ; _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'second Clip domain' _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 2015-11-26 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 no PDB 2IKE . "Solution Structure Of The Second Clip Domain In Pap2" . . . . . 100.00 54 100.00 100.00 2.78e-29 . . . . 15106 1 2 no GB AAL76085 . "prophenoloxidase-activating proteinase-2 [Manduca sexta]" . . . . . 100.00 441 100.00 100.00 1.31e-27 . . . . 15106 1 3 no GB AAZ91696 . "prophenoloxidase activating proteinase-2 [Manduca sexta]" . . . . . 100.00 441 100.00 100.00 1.39e-27 . . . . 15106 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Prophenoloxidase activating proteinase-2' RCSB_NAME 15106 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 . LEU . 15106 1 2 . SER . 15106 1 3 . CYS . 15106 1 4 . LEU . 15106 1 5 . THR . 15106 1 6 . PRO . 15106 1 7 . ASP . 15106 1 8 . ASN . 15106 1 9 . LYS . 15106 1 10 . PRO . 15106 1 11 . GLY . 15106 1 12 . LYS . 15106 1 13 . CYS . 15106 1 14 . VAL . 15106 1 15 . ASN . 15106 1 16 . ILE . 15106 1 17 . LYS . 15106 1 18 . LYS . 15106 1 19 . CYS . 15106 1 20 . THR . 15106 1 21 . HIS . 15106 1 22 . LEU . 15106 1 23 . ALA . 15106 1 24 . GLU . 15106 1 25 . ILE . 15106 1 26 . GLU . 15106 1 27 . GLU . 15106 1 28 . ASP . 15106 1 29 . PRO . 15106 1 30 . ILE . 15106 1 31 . GLY . 15106 1 32 . GLU . 15106 1 33 . ASP . 15106 1 34 . GLU . 15106 1 35 . THR . 15106 1 36 . THR . 15106 1 37 . TYR . 15106 1 38 . LEU . 15106 1 39 . LYS . 15106 1 40 . ASN . 15106 1 41 . SER . 15106 1 42 . VAL . 15106 1 43 . CYS . 15106 1 44 . ALA . 15106 1 45 . GLY . 15106 1 46 . PRO . 15106 1 47 . GLU . 15106 1 48 . ASP . 15106 1 49 . ASN . 15106 1 50 . SER . 15106 1 51 . VAL . 15106 1 52 . CYS . 15106 1 53 . CYS . 15106 1 54 . GLY . 15106 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 . LEU 1 1 15106 1 . SER 2 2 15106 1 . CYS 3 3 15106 1 . LEU 4 4 15106 1 . THR 5 5 15106 1 . PRO 6 6 15106 1 . ASP 7 7 15106 1 . ASN 8 8 15106 1 . LYS 9 9 15106 1 . PRO 10 10 15106 1 . GLY 11 11 15106 1 . LYS 12 12 15106 1 . CYS 13 13 15106 1 . VAL 14 14 15106 1 . ASN 15 15 15106 1 . ILE 16 16 15106 1 . LYS 17 17 15106 1 . LYS 18 18 15106 1 . CYS 19 19 15106 1 . THR 20 20 15106 1 . HIS 21 21 15106 1 . LEU 22 22 15106 1 . ALA 23 23 15106 1 . GLU 24 24 15106 1 . ILE 25 25 15106 1 . GLU 26 26 15106 1 . GLU 27 27 15106 1 . ASP 28 28 15106 1 . PRO 29 29 15106 1 . ILE 30 30 15106 1 . GLY 31 31 15106 1 . GLU 32 32 15106 1 . ASP 33 33 15106 1 . GLU 34 34 15106 1 . THR 35 35 15106 1 . THR 36 36 15106 1 . TYR 37 37 15106 1 . LEU 38 38 15106 1 . LYS 39 39 15106 1 . ASN 40 40 15106 1 . SER 41 41 15106 1 . VAL 42 42 15106 1 . CYS 43 43 15106 1 . ALA 44 44 15106 1 . GLY 45 45 15106 1 . PRO 46 46 15106 1 . GLU 47 47 15106 1 . ASP 48 48 15106 1 . ASN 49 49 15106 1 . SER 50 50 15106 1 . VAL 51 51 15106 1 . CYS 52 52 15106 1 . CYS 53 53 15106 1 . GLY 54 54 15106 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 15106 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Prophenoloxidase_activating_proteinase-2 . . organism . 'Manduca sexta' 'Tobacco hawkmoth' . . . . . . . . . . . . . . . . . . . . . . PAP-2 . . . . 15106 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 15106 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Prophenoloxidase_activating_proteinase-2 . 'recombinant technology' 'Escherichia coli' bacteria . . . . M15 . . . . . . . . . . . . . . . pQE60 . . . . . . 15106 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 15106 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM Dual-Clip domain U-15N,13C, 100 mM phosphate buffer NA, 90% H2O, 10% D2O ; _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 'Prophenoloxidase activating proteinase-2' '[U-100% 13C; U-100% 15N]' . . 1 $Prophenoloxidase_activating_proteinase-2 . . 1.0 . . mM . . . . 15106 1 2 'phosphate buffer' 'natural abundance' . . . . . . 100 . . mM . . . . 15106 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 15106 _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 pH 8.0 . pH 15106 1 pressure 1 . atm 15106 1 temperature 298 . K 15106 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15106 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 15106 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15106 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 15106 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15106 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15106 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15106 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15106 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15106 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15106 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15106 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15106 4 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 15106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 15106 _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 Bruker AVANCE . 800 . . . 15106 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 15106 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using triple-resonance NMR spectroscopy.' 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 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15106 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15106 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 15106 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 13C-glucose carbons . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 15106 1 H 1 water protons . . . . ppm 0 na indirect 1 . . . . . . . . . 15106 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 na indirect 0.10132918 . . . . . . . . . 15106 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 15106 _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 1 3D_13C-separated_NOESY 1 $sample . 15106 1 2 3D_15N-separated_NOESY 1 $sample . 15106 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 1 1 LEU H H 1 9.50 . . . . . . . 1 LEU H . 15106 1 2 . 1 1 1 1 LEU HA H 1 4.47 . . . . . . . 1 LEU HA . 15106 1 3 . 1 1 1 1 LEU HB2 H 1 1.16 . . . . . . . 1 LEU HB2 . 15106 1 4 . 1 1 1 1 LEU HB3 H 1 1.68 . . . . . . . 1 LEU HB3 . 15106 1 5 . 1 1 1 1 LEU HG H 1 1.56 . . . . . . . 1 LEU HG . 15106 1 6 . 1 1 1 1 LEU HD11 H 1 0.55 . . . . . . . 1 LEU HD1 . 15106 1 7 . 1 1 1 1 LEU HD12 H 1 0.55 . . . . . . . 1 LEU HD1 . 15106 1 8 . 1 1 1 1 LEU HD13 H 1 0.55 . . . . . . . 1 LEU HD1 . 15106 1 9 . 1 1 1 1 LEU HD21 H 1 0.83 . . . . . . . 1 LEU HD2 . 15106 1 10 . 1 1 1 1 LEU HD22 H 1 0.83 . . . . . . . 1 LEU HD2 . 15106 1 11 . 1 1 1 1 LEU HD23 H 1 0.83 . . . . . . . 1 LEU HD2 . 15106 1 12 . 1 1 1 1 LEU C C 13 176.5 . . . . . . . 1 LEU C . 15106 1 13 . 1 1 1 1 LEU CA C 13 53.8 . . . . . . . 1 LEU CA . 15106 1 14 . 1 1 1 1 LEU CB C 13 43.3 . . . . . . . 1 LEU CB . 15106 1 15 . 1 1 1 1 LEU CG C 13 27.6 . . . . . . . 1 LEU CG . 15106 1 16 . 1 1 1 1 LEU CD1 C 13 25.9 . . . . . . . 1 LEU CD1 . 15106 1 17 . 1 1 1 1 LEU CD2 C 13 24.3 . . . . . . . 1 LEU CD2 . 15106 1 18 . 1 1 1 1 LEU N N 15 128.5 . . . . . . . 1 LEU N . 15106 1 19 . 1 1 2 2 SER H H 1 9.24 . . . . . . . 2 SER H . 15106 1 20 . 1 1 2 2 SER HA H 1 4.86 . . . . . . . 2 SER HA . 15106 1 21 . 1 1 2 2 SER HB2 H 1 4.06 . . . . . . . 2 SER HB2 . 15106 1 22 . 1 1 2 2 SER HB3 H 1 3.77 . . . . . . . 2 SER HB3 . 15106 1 23 . 1 1 2 2 SER C C 13 173.0 . . . . . . . 2 SER C . 15106 1 24 . 1 1 2 2 SER CA C 13 59.0 . . . . . . . 2 SER CA . 15106 1 25 . 1 1 2 2 SER CB C 13 63.1 . . . . . . . 2 SER CB . 15106 1 26 . 1 1 2 2 SER N N 15 119.0 . . . . . . . 2 SER N . 15106 1 27 . 1 1 3 3 CYS H H 1 8.09 . . . . . . . 3 CYS H . 15106 1 28 . 1 1 3 3 CYS HA H 1 4.83 . . . . . . . 3 CYS HA . 15106 1 29 . 1 1 3 3 CYS HB2 H 1 3.32 . . . . . . . 3 CYS HB2 . 15106 1 30 . 1 1 3 3 CYS HB3 H 1 3.14 . . . . . . . 3 CYS HB3 . 15106 1 31 . 1 1 3 3 CYS C C 13 171.4 . . . . . . . 3 CYS C . 15106 1 32 . 1 1 3 3 CYS CA C 13 55.0 . . . . . . . 3 CYS CA . 15106 1 33 . 1 1 3 3 CYS CB C 13 45.2 . . . . . . . 3 CYS CB . 15106 1 34 . 1 1 3 3 CYS N N 15 117.8 . . . . . . . 3 CYS N . 15106 1 35 . 1 1 4 4 LEU H H 1 8.49 . . . . . . . 4 LEU H . 15106 1 36 . 1 1 4 4 LEU HA H 1 5.16 . . . . . . . 4 LEU HA . 15106 1 37 . 1 1 4 4 LEU HB2 H 1 1.55 . . . . . . . 4 LEU HB2 . 15106 1 38 . 1 1 4 4 LEU HB3 H 1 1.34 . . . . . . . 4 LEU HB3 . 15106 1 39 . 1 1 4 4 LEU HG H 1 1.52 . . . . . . . 4 LEU HG . 15106 1 40 . 1 1 4 4 LEU HD11 H 1 0.79 . . . . . . . 4 LEU HD1 . 15106 1 41 . 1 1 4 4 LEU HD12 H 1 0.79 . . . . . . . 4 LEU HD1 . 15106 1 42 . 1 1 4 4 LEU HD13 H 1 0.79 . . . . . . . 4 LEU HD1 . 15106 1 43 . 1 1 4 4 LEU HD21 H 1 0.68 . . . . . . . 4 LEU HD2 . 15106 1 44 . 1 1 4 4 LEU HD22 H 1 0.68 . . . . . . . 4 LEU HD2 . 15106 1 45 . 1 1 4 4 LEU HD23 H 1 0.68 . . . . . . . 4 LEU HD2 . 15106 1 46 . 1 1 4 4 LEU C C 13 177.1 . . . . . . . 4 LEU C . 15106 1 47 . 1 1 4 4 LEU CA C 13 53.3 . . . . . . . 4 LEU CA . 15106 1 48 . 1 1 4 4 LEU CB C 13 45.2 . . . . . . . 4 LEU CB . 15106 1 49 . 1 1 4 4 LEU CG C 13 26.5 . . . . . . . 4 LEU CG . 15106 1 50 . 1 1 4 4 LEU CD1 C 13 25.1 . . . . . . . 4 LEU CD1 . 15106 1 51 . 1 1 4 4 LEU CD2 C 13 23.7 . . . . . . . 4 LEU CD2 . 15106 1 52 . 1 1 4 4 LEU N N 15 122.6 . . . . . . . 4 LEU N . 15106 1 53 . 1 1 5 5 THR H H 1 9.25 . . . . . . . 5 THR H . 15106 1 54 . 1 1 5 5 THR HA H 1 4.15 . . . . . . . 5 THR HA . 15106 1 55 . 1 1 5 5 THR HB H 1 4.88 . . . . . . . 5 THR HB . 15106 1 56 . 1 1 5 5 THR HG21 H 1 1.09 . . . . . . . 5 THR HG2 . 15106 1 57 . 1 1 5 5 THR HG22 H 1 1.09 . . . . . . . 5 THR HG2 . 15106 1 58 . 1 1 5 5 THR HG23 H 1 1.09 . . . . . . . 5 THR HG2 . 15106 1 59 . 1 1 5 5 THR CA C 13 61.3 . . . . . . . 5 THR CA . 15106 1 60 . 1 1 5 5 THR CB C 13 67.9 . . . . . . . 5 THR CB . 15106 1 61 . 1 1 5 5 THR N N 15 116.8 . . . . . . . 5 THR N . 15106 1 62 . 1 1 6 6 PRO HA H 1 4.32 . . . . . . . 6 PRO HA . 15106 1 63 . 1 1 6 6 PRO HB2 H 1 2.27 . . . . . . . 6 PRO HB2 . 15106 1 64 . 1 1 6 6 PRO HG2 H 1 1.66 . . . . . . . 6 PRO HG2 . 15106 1 65 . 1 1 6 6 PRO C C 13 176.6 . . . . . . . 6 PRO C . 15106 1 66 . 1 1 6 6 PRO CA C 13 65.5 . . . . . . . 6 PRO CA . 15106 1 67 . 1 1 6 6 PRO CB C 13 31.2 . . . . . . . 6 PRO CB . 15106 1 68 . 1 1 7 7 ASP H H 1 8.08 . . . . . . . 7 ASP H . 15106 1 69 . 1 1 7 7 ASP HA H 1 4.69 . . . . . . . 7 ASP HA . 15106 1 70 . 1 1 7 7 ASP HB2 H 1 2.82 . . . . . . . 7 ASP HB2 . 15106 1 71 . 1 1 7 7 ASP HB3 H 1 2.72 . . . . . . . 7 ASP HB3 . 15106 1 72 . 1 1 7 7 ASP C C 13 174.3 . . . . . . . 7 ASP C . 15106 1 73 . 1 1 7 7 ASP CA C 13 52.4 . . . . . . . 7 ASP CA . 15106 1 74 . 1 1 7 7 ASP CB C 13 38.7 . . . . . . . 7 ASP CB . 15106 1 75 . 1 1 7 7 ASP N N 15 110.2 . . . . . . . 7 ASP N . 15106 1 76 . 1 1 8 8 ASN H H 1 8.44 . . . . . . . 8 ASN H . 15106 1 77 . 1 1 8 8 ASN HA H 1 4.13 . . . . . . . 8 ASN HA . 15106 1 78 . 1 1 8 8 ASN HB2 H 1 2.71 . . . . . . . 8 ASN HB2 . 15106 1 79 . 1 1 8 8 ASN HB3 H 1 3.08 . . . . . . . 8 ASN HB3 . 15106 1 80 . 1 1 8 8 ASN HD21 H 1 7.46 . . . . . . . 8 ASN HD21 . 15106 1 81 . 1 1 8 8 ASN HD22 H 1 6.69 . . . . . . . 8 ASN HD22 . 15106 1 82 . 1 1 8 8 ASN C C 13 174.0 . . . . . . . 8 ASN C . 15106 1 83 . 1 1 8 8 ASN CA C 13 54.7 . . . . . . . 8 ASN CA . 15106 1 84 . 1 1 8 8 ASN CB C 13 36.7 . . . . . . . 8 ASN CB . 15106 1 85 . 1 1 8 8 ASN N N 15 115.4 . . . . . . . 8 ASN N . 15106 1 86 . 1 1 8 8 ASN ND2 N 15 112.4 . . . . . . . 8 ASN ND2 . 15106 1 87 . 1 1 9 9 LYS H H 1 7.99 . . . . . . . 9 LYS H . 15106 1 88 . 1 1 9 9 LYS HA H 1 4.75 . . . . . . . 9 LYS HA . 15106 1 89 . 1 1 9 9 LYS HB2 H 1 1.73 . . . . . . . 9 LYS HB2 . 15106 1 90 . 1 1 9 9 LYS HG2 H 1 1.21 . . . . . . . 9 LYS HG2 . 15106 1 91 . 1 1 9 9 LYS CA C 13 53.3 . . . . . . . 9 LYS CA . 15106 1 92 . 1 1 9 9 LYS CB C 13 31.7 . . . . . . . 9 LYS CB . 15106 1 93 . 1 1 9 9 LYS N N 15 118.3 . . . . . . . 9 LYS N . 15106 1 94 . 1 1 10 10 PRO HA H 1 4.73 . . . . . . . 10 PRO HA . 15106 1 95 . 1 1 10 10 PRO HB2 H 1 2.29 . . . . . . . 10 PRO HB2 . 15106 1 96 . 1 1 10 10 PRO HB3 H 1 2.02 . . . . . . . 10 PRO HB3 . 15106 1 97 . 1 1 10 10 PRO HG2 H 1 2.01 . . . . . . . 10 PRO HG2 . 15106 1 98 . 1 1 10 10 PRO HD2 H 1 3.77 . . . . . . . 10 PRO HD2 . 15106 1 99 . 1 1 10 10 PRO HD3 H 1 3.64 . . . . . . . 10 PRO HD3 . 15106 1 100 . 1 1 10 10 PRO C C 13 177.0 . . . . . . . 10 PRO C . 15106 1 101 . 1 1 10 10 PRO CA C 13 63.0 . . . . . . . 10 PRO CA . 15106 1 102 . 1 1 10 10 PRO CB C 13 32.0 . . . . . . . 10 PRO CB . 15106 1 103 . 1 1 10 10 PRO CG C 13 27.6 . . . . . . . 10 PRO CG . 15106 1 104 . 1 1 10 10 PRO CD C 13 50.4 . . . . . . . 10 PRO CD . 15106 1 105 . 1 1 11 11 GLY H H 1 8.58 . . . . . . . 11 GLY H . 15106 1 106 . 1 1 11 11 GLY HA2 H 1 4.71 . . . . . . . 11 GLY HA2 . 15106 1 107 . 1 1 11 11 GLY HA3 H 1 3.39 . . . . . . . 11 GLY HA3 . 15106 1 108 . 1 1 11 11 GLY C C 13 173.9 . . . . . . . 11 GLY C . 15106 1 109 . 1 1 11 11 GLY CA C 13 44.5 . . . . . . . 11 GLY CA . 15106 1 110 . 1 1 11 11 GLY N N 15 110.9 . . . . . . . 11 GLY N . 15106 1 111 . 1 1 12 12 LYS H H 1 7.76 . . . . . . . 12 LYS H . 15106 1 112 . 1 1 12 12 LYS HA H 1 4.86 . . . . . . . 12 LYS HA . 15106 1 113 . 1 1 12 12 LYS HB2 H 1 1.62 . . . . . . . 12 LYS HB2 . 15106 1 114 . 1 1 12 12 LYS HB3 H 1 1.48 . . . . . . . 12 LYS HB3 . 15106 1 115 . 1 1 12 12 LYS HG2 H 1 1.40 . . . . . . . 12 LYS HG2 . 15106 1 116 . 1 1 12 12 LYS HG3 H 1 1.47 . . . . . . . 12 LYS HG3 . 15106 1 117 . 1 1 12 12 LYS HE2 H 1 2.88 . . . . . . . 12 LYS HE2 . 15106 1 118 . 1 1 12 12 LYS C C 13 175.3 . . . . . . . 12 LYS C . 15106 1 119 . 1 1 12 12 LYS CA C 13 53.7 . . . . . . . 12 LYS CA . 15106 1 120 . 1 1 12 12 LYS CB C 13 35.2 . . . . . . . 12 LYS CB . 15106 1 121 . 1 1 12 12 LYS CG C 13 24.1 . . . . . . . 12 LYS CG . 15106 1 122 . 1 1 12 12 LYS CD C 13 28.8 . . . . . . . 12 LYS CD . 15106 1 123 . 1 1 12 12 LYS N N 15 117.8 . . . . . . . 12 LYS N . 15106 1 124 . 1 1 13 13 CYS H H 1 8.66 . . . . . . . 13 CYS H . 15106 1 125 . 1 1 13 13 CYS HA H 1 4.96 . . . . . . . 13 CYS HA . 15106 1 126 . 1 1 13 13 CYS HB2 H 1 2.22 . . . . . . . 13 CYS HB2 . 15106 1 127 . 1 1 13 13 CYS HB3 H 1 2.79 . . . . . . . 13 CYS HB3 . 15106 1 128 . 1 1 13 13 CYS C C 13 174.4 . . . . . . . 13 CYS C . 15106 1 129 . 1 1 13 13 CYS CA C 13 56.1 . . . . . . . 13 CYS CA . 15106 1 130 . 1 1 13 13 CYS CB C 13 40.5 . . . . . . . 13 CYS CB . 15106 1 131 . 1 1 13 13 CYS N N 15 123.9 . . . . . . . 13 CYS N . 15106 1 132 . 1 1 14 14 VAL H H 1 8.78 . . . . . . . 14 VAL H . 15106 1 133 . 1 1 14 14 VAL HA H 1 4.74 . . . . . . . 14 VAL HA . 15106 1 134 . 1 1 14 14 VAL HB H 1 2.14 . . . . . . . 14 VAL HB . 15106 1 135 . 1 1 14 14 VAL HG11 H 1 0.74 . . . . . . . 14 VAL HG1 . 15106 1 136 . 1 1 14 14 VAL HG12 H 1 0.74 . . . . . . . 14 VAL HG1 . 15106 1 137 . 1 1 14 14 VAL HG13 H 1 0.74 . . . . . . . 14 VAL HG1 . 15106 1 138 . 1 1 14 14 VAL HG21 H 1 0.76 . . . . . . . 14 VAL HG2 . 15106 1 139 . 1 1 14 14 VAL HG22 H 1 0.76 . . . . . . . 14 VAL HG2 . 15106 1 140 . 1 1 14 14 VAL HG23 H 1 0.76 . . . . . . . 14 VAL HG2 . 15106 1 141 . 1 1 14 14 VAL C C 13 174.0 . . . . . . . 14 VAL C . 15106 1 142 . 1 1 14 14 VAL CA C 13 58.7 . . . . . . . 14 VAL CA . 15106 1 143 . 1 1 14 14 VAL CB C 13 37.5 . . . . . . . 14 VAL CB . 15106 1 144 . 1 1 14 14 VAL CG1 C 13 17.1 . . . . . . . 14 VAL CG1 . 15106 1 145 . 1 1 14 14 VAL CG2 C 13 21.7 . . . . . . . 14 VAL CG2 . 15106 1 146 . 1 1 14 14 VAL N N 15 122.7 . . . . . . . 14 VAL N . 15106 1 147 . 1 1 15 15 ASN H H 1 8.51 . . . . . . . 15 ASN H . 15106 1 148 . 1 1 15 15 ASN HA H 1 4.39 . . . . . . . 15 ASN HA . 15106 1 149 . 1 1 15 15 ASN HB2 H 1 2.20 . . . . . . . 15 ASN HB2 . 15106 1 150 . 1 1 15 15 ASN HB3 H 1 2.95 . . . . . . . 15 ASN HB3 . 15106 1 151 . 1 1 15 15 ASN C C 13 177.2 . . . . . . . 15 ASN C . 15106 1 152 . 1 1 15 15 ASN CA C 13 54.7 . . . . . . . 15 ASN CA . 15106 1 153 . 1 1 15 15 ASN CB C 13 41.7 . . . . . . . 15 ASN CB . 15106 1 154 . 1 1 15 15 ASN N N 15 120.0 . . . . . . . 15 ASN N . 15106 1 155 . 1 1 16 16 ILE H H 1 8.11 . . . . . . . 16 ILE H . 15106 1 156 . 1 1 16 16 ILE HA H 1 3.76 . . . . . . . 16 ILE HA . 15106 1 157 . 1 1 16 16 ILE HB H 1 1.84 . . . . . . . 16 ILE HB . 15106 1 158 . 1 1 16 16 ILE HG12 H 1 1.21 . . . . . . . 16 ILE HG12 . 15106 1 159 . 1 1 16 16 ILE HG13 H 1 1.25 . . . . . . . 16 ILE HG13 . 15106 1 160 . 1 1 16 16 ILE HG21 H 1 0.95 . . . . . . . 16 ILE HG2 . 15106 1 161 . 1 1 16 16 ILE HG22 H 1 0.95 . . . . . . . 16 ILE HG2 . 15106 1 162 . 1 1 16 16 ILE HG23 H 1 0.95 . . . . . . . 16 ILE HG2 . 15106 1 163 . 1 1 16 16 ILE HD11 H 1 0.73 . . . . . . . 16 ILE HD1 . 15106 1 164 . 1 1 16 16 ILE HD12 H 1 0.73 . . . . . . . 16 ILE HD1 . 15106 1 165 . 1 1 16 16 ILE HD13 H 1 0.73 . . . . . . . 16 ILE HD1 . 15106 1 166 . 1 1 16 16 ILE C C 13 175.2 . . . . . . . 16 ILE C . 15106 1 167 . 1 1 16 16 ILE CA C 13 64.7 . . . . . . . 16 ILE CA . 15106 1 168 . 1 1 16 16 ILE CB C 13 37.9 . . . . . . . 16 ILE CB . 15106 1 169 . 1 1 16 16 ILE CG1 C 13 29.2 . . . . . . . 16 ILE CG1 . 15106 1 170 . 1 1 16 16 ILE CG2 C 13 16.4 . . . . . . . 16 ILE CG2 . 15106 1 171 . 1 1 16 16 ILE CD1 C 13 14.9 . . . . . . . 16 ILE CD1 . 15106 1 172 . 1 1 16 16 ILE N N 15 124.9 . . . . . . . 16 ILE N . 15106 1 173 . 1 1 17 17 LYS H H 1 7.57 . . . . . . . 17 LYS H . 15106 1 174 . 1 1 17 17 LYS HA H 1 4.22 . . . . . . . 17 LYS HA . 15106 1 175 . 1 1 17 17 LYS HB2 H 1 2.01 . . . . . . . 17 LYS HB2 . 15106 1 176 . 1 1 17 17 LYS HB3 H 1 1.85 . . . . . . . 17 LYS HB3 . 15106 1 177 . 1 1 17 17 LYS HG2 H 1 1.40 . . . . . . . 17 LYS HG2 . 15106 1 178 . 1 1 17 17 LYS HD2 H 1 1.75 . . . . . . . 17 LYS HD2 . 15106 1 179 . 1 1 17 17 LYS C C 13 178.7 . . . . . . . 17 LYS C . 15106 1 180 . 1 1 17 17 LYS CA C 13 57.7 . . . . . . . 17 LYS CA . 15106 1 181 . 1 1 17 17 LYS CB C 13 31.1 . . . . . . . 17 LYS CB . 15106 1 182 . 1 1 17 17 LYS CG C 13 25.1 . . . . . . . 17 LYS CG . 15106 1 183 . 1 1 17 17 LYS CD C 13 28.4 . . . . . . . 17 LYS CD . 15106 1 184 . 1 1 17 17 LYS N N 15 117.7 . . . . . . . 17 LYS N . 15106 1 185 . 1 1 18 18 LYS H H 1 8.16 . . . . . . . 18 LYS H . 15106 1 186 . 1 1 18 18 LYS HA H 1 3.90 . . . . . . . 18 LYS HA . 15106 1 187 . 1 1 18 18 LYS HB2 H 1 1.80 . . . . . . . 18 LYS HB2 . 15106 1 188 . 1 1 18 18 LYS HG2 H 1 1.42 . . . . . . . 18 LYS HG2 . 15106 1 189 . 1 1 18 18 LYS HD2 H 1 1.58 . . . . . . . 18 LYS HD2 . 15106 1 190 . 1 1 18 18 LYS C C 13 175.7 . . . . . . . 18 LYS C . 15106 1 191 . 1 1 18 18 LYS CA C 13 56.2 . . . . . . . 18 LYS CA . 15106 1 192 . 1 1 18 18 LYS CB C 13 32.3 . . . . . . . 18 LYS CB . 15106 1 193 . 1 1 18 18 LYS CG C 13 25.8 . . . . . . . 18 LYS CG . 15106 1 194 . 1 1 18 18 LYS CD C 13 29.5 . . . . . . . 18 LYS CD . 15106 1 195 . 1 1 18 18 LYS CE C 13 42.2 . . . . . . . 18 LYS CE . 15106 1 196 . 1 1 18 18 LYS N N 15 116.1 . . . . . . . 18 LYS N . 15106 1 197 . 1 1 19 19 CYS H H 1 8.00 . . . . . . . 19 CYS H . 15106 1 198 . 1 1 19 19 CYS HA H 1 5.08 . . . . . . . 19 CYS HA . 15106 1 199 . 1 1 19 19 CYS HB2 H 1 3.15 . . . . . . . 19 CYS HB2 . 15106 1 200 . 1 1 19 19 CYS HB3 H 1 2.17 . . . . . . . 19 CYS HB3 . 15106 1 201 . 1 1 19 19 CYS CA C 13 54.0 . . . . . . . 19 CYS CA . 15106 1 202 . 1 1 19 19 CYS CB C 13 38.9 . . . . . . . 19 CYS CB . 15106 1 203 . 1 1 19 19 CYS N N 15 121.9 . . . . . . . 19 CYS N . 15106 1 204 . 1 1 20 20 THR H H 1 7.55 . . . . . . . 20 THR H . 15106 1 205 . 1 1 20 20 THR HA H 1 3.79 . . . . . . . 20 THR HA . 15106 1 206 . 1 1 20 20 THR HB H 1 4.14 . . . . . . . 20 THR HB . 15106 1 207 . 1 1 20 20 THR HG21 H 1 1.22 . . . . . . . 20 THR HG2 . 15106 1 208 . 1 1 20 20 THR HG22 H 1 1.22 . . . . . . . 20 THR HG2 . 15106 1 209 . 1 1 20 20 THR HG23 H 1 1.22 . . . . . . . 20 THR HG2 . 15106 1 210 . 1 1 20 20 THR C C 13 175.4 . . . . . . . 20 THR C . 15106 1 211 . 1 1 20 20 THR CA C 13 67.3 . . . . . . . 20 THR CA . 15106 1 212 . 1 1 20 20 THR CB C 13 68.7 . . . . . . . 20 THR CB . 15106 1 213 . 1 1 20 20 THR CG2 C 13 21.8 . . . . . . . 20 THR CG2 . 15106 1 214 . 1 1 21 21 HIS H H 1 8.18 . . . . . . . 21 HIS H . 15106 1 215 . 1 1 21 21 HIS HA H 1 4.52 . . . . . . . 21 HIS HA . 15106 1 216 . 1 1 21 21 HIS HB2 H 1 3.16 . . . . . . . 21 HIS HB2 . 15106 1 217 . 1 1 21 21 HIS HB3 H 1 2.99 . . . . . . . 21 HIS HB3 . 15106 1 218 . 1 1 21 21 HIS C C 13 177.1 . . . . . . . 21 HIS C . 15106 1 219 . 1 1 21 21 HIS CA C 13 58.9 . . . . . . . 21 HIS CA . 15106 1 220 . 1 1 21 21 HIS CB C 13 29.5 . . . . . . . 21 HIS CB . 15106 1 221 . 1 1 21 21 HIS N N 15 115.7 . . . . . . . 21 HIS N . 15106 1 222 . 1 1 22 22 LEU H H 1 6.53 . . . . . . . 22 LEU H . 15106 1 223 . 1 1 22 22 LEU HA H 1 4.35 . . . . . . . 22 LEU HA . 15106 1 224 . 1 1 22 22 LEU HB2 H 1 1.34 . . . . . . . 22 LEU HB2 . 15106 1 225 . 1 1 22 22 LEU HD11 H 1 0.90 . . . . . . . 22 LEU HD1 . 15106 1 226 . 1 1 22 22 LEU HD12 H 1 0.90 . . . . . . . 22 LEU HD1 . 15106 1 227 . 1 1 22 22 LEU HD13 H 1 0.90 . . . . . . . 22 LEU HD1 . 15106 1 228 . 1 1 22 22 LEU C C 13 177.7 . . . . . . . 22 LEU C . 15106 1 229 . 1 1 22 22 LEU CA C 13 56.2 . . . . . . . 22 LEU CA . 15106 1 230 . 1 1 22 22 LEU CB C 13 41.4 . . . . . . . 22 LEU CB . 15106 1 231 . 1 1 22 22 LEU CD1 C 13 26.6 . . . . . . . 22 LEU CD1 . 15106 1 232 . 1 1 22 22 LEU N N 15 119.6 . . . . . . . 22 LEU N . 15106 1 233 . 1 1 23 23 ALA H H 1 8.28 . . . . . . . 23 ALA H . 15106 1 234 . 1 1 23 23 ALA HA H 1 3.87 . . . . . . . 23 ALA HA . 15106 1 235 . 1 1 23 23 ALA HB1 H 1 1.40 . . . . . . . 23 ALA HB . 15106 1 236 . 1 1 23 23 ALA HB2 H 1 1.40 . . . . . . . 23 ALA HB . 15106 1 237 . 1 1 23 23 ALA HB3 H 1 1.40 . . . . . . . 23 ALA HB . 15106 1 238 . 1 1 23 23 ALA C C 13 180.3 . . . . . . . 23 ALA C . 15106 1 239 . 1 1 23 23 ALA CA C 13 54.9 . . . . . . . 23 ALA CA . 15106 1 240 . 1 1 23 23 ALA CB C 13 17.6 . . . . . . . 23 ALA CB . 15106 1 241 . 1 1 23 23 ALA N N 15 123.4 . . . . . . . 23 ALA N . 15106 1 242 . 1 1 24 24 GLU H H 1 7.91 . . . . . . . 24 GLU H . 15106 1 243 . 1 1 24 24 GLU HA H 1 4.04 . . . . . . . 24 GLU HA . 15106 1 244 . 1 1 24 24 GLU HB2 H 1 2.01 . . . . . . . 24 GLU HB2 . 15106 1 245 . 1 1 24 24 GLU HG2 H 1 2.22 . . . . . . . 24 GLU HG2 . 15106 1 246 . 1 1 24 24 GLU C C 13 178.3 . . . . . . . 24 GLU C . 15106 1 247 . 1 1 24 24 GLU CA C 13 58.5 . . . . . . . 24 GLU CA . 15106 1 248 . 1 1 24 24 GLU CB C 13 29.8 . . . . . . . 24 GLU CB . 15106 1 249 . 1 1 24 24 GLU CG C 13 36.2 . . . . . . . 24 GLU CG . 15106 1 250 . 1 1 24 24 GLU N N 15 115.9 . . . . . . . 24 GLU N . 15106 1 251 . 1 1 25 25 ILE H H 1 7.14 . . . . . . . 25 ILE H . 15106 1 252 . 1 1 25 25 ILE HA H 1 3.80 . . . . . . . 25 ILE HA . 15106 1 253 . 1 1 25 25 ILE HB H 1 1.92 . . . . . . . 25 ILE HB . 15106 1 254 . 1 1 25 25 ILE HG12 H 1 1.77 . . . . . . . 25 ILE HG12 . 15106 1 255 . 1 1 25 25 ILE HG13 H 1 1.14 . . . . . . . 25 ILE HG13 . 15106 1 256 . 1 1 25 25 ILE HG21 H 1 0.86 . . . . . . . 25 ILE HG2 . 15106 1 257 . 1 1 25 25 ILE HG22 H 1 0.86 . . . . . . . 25 ILE HG2 . 15106 1 258 . 1 1 25 25 ILE HG23 H 1 0.86 . . . . . . . 25 ILE HG2 . 15106 1 259 . 1 1 25 25 ILE HD11 H 1 0.89 . . . . . . . 25 ILE HD1 . 15106 1 260 . 1 1 25 25 ILE HD12 H 1 0.89 . . . . . . . 25 ILE HD1 . 15106 1 261 . 1 1 25 25 ILE HD13 H 1 0.89 . . . . . . . 25 ILE HD1 . 15106 1 262 . 1 1 25 25 ILE C C 13 176.6 . . . . . . . 25 ILE C . 15106 1 263 . 1 1 25 25 ILE CA C 13 63.7 . . . . . . . 25 ILE CA . 15106 1 264 . 1 1 25 25 ILE CB C 13 38.2 . . . . . . . 25 ILE CB . 15106 1 265 . 1 1 25 25 ILE CG1 C 13 28.3 . . . . . . . 25 ILE CG1 . 15106 1 266 . 1 1 25 25 ILE CG2 C 13 18.0 . . . . . . . 25 ILE CG2 . 15106 1 267 . 1 1 25 25 ILE CD1 C 13 13.7 . . . . . . . 25 ILE CD1 . 15106 1 268 . 1 1 25 25 ILE N N 15 119.3 . . . . . . . 25 ILE N . 15106 1 269 . 1 1 26 26 GLU H H 1 7.80 . . . . . . . 26 GLU H . 15106 1 270 . 1 1 26 26 GLU HA H 1 3.77 . . . . . . . 26 GLU HA . 15106 1 271 . 1 1 26 26 GLU HB2 H 1 2.05 . . . . . . . 26 GLU HB2 . 15106 1 272 . 1 1 26 26 GLU HB3 H 1 1.89 . . . . . . . 26 GLU HB3 . 15106 1 273 . 1 1 26 26 GLU HG2 H 1 2.12 . . . . . . . 26 GLU HG2 . 15106 1 274 . 1 1 26 26 GLU C C 13 177.3 . . . . . . . 26 GLU C . 15106 1 275 . 1 1 26 26 GLU CA C 13 58.5 . . . . . . . 26 GLU CA . 15106 1 276 . 1 1 26 26 GLU CB C 13 29.8 . . . . . . . 26 GLU CB . 15106 1 277 . 1 1 26 26 GLU CG C 13 36.4 . . . . . . . 26 GLU CG . 15106 1 278 . 1 1 26 26 GLU N N 15 120.1 . . . . . . . 26 GLU N . 15106 1 279 . 1 1 27 27 GLU H H 1 7.64 . . . . . . . 27 GLU H . 15106 1 280 . 1 1 27 27 GLU HA H 1 4.05 . . . . . . . 27 GLU HA . 15106 1 281 . 1 1 27 27 GLU HB2 H 1 1.95 . . . . . . . 27 GLU HB2 . 15106 1 282 . 1 1 27 27 GLU HG2 H 1 2.24 . . . . . . . 27 GLU HG2 . 15106 1 283 . 1 1 27 27 GLU C C 13 176.4 . . . . . . . 27 GLU C . 15106 1 284 . 1 1 27 27 GLU CA C 13 57.6 . . . . . . . 27 GLU CA . 15106 1 285 . 1 1 27 27 GLU CB C 13 30.4 . . . . . . . 27 GLU CB . 15106 1 286 . 1 1 27 27 GLU CG C 13 36.2 . . . . . . . 27 GLU CG . 15106 1 287 . 1 1 27 27 GLU N N 15 116.6 . . . . . . . 27 GLU N . 15106 1 288 . 1 1 28 28 ASP H H 1 7.73 . . . . . . . 28 ASP H . 15106 1 289 . 1 1 28 28 ASP HA H 1 4.86 . . . . . . . 28 ASP HA . 15106 1 290 . 1 1 28 28 ASP HB2 H 1 2.40 . . . . . . . 28 ASP HB2 . 15106 1 291 . 1 1 28 28 ASP HB3 H 1 2.71 . . . . . . . 28 ASP HB3 . 15106 1 292 . 1 1 28 28 ASP CA C 13 52.4 . . . . . . . 28 ASP CA . 15106 1 293 . 1 1 28 28 ASP CB C 13 41.2 . . . . . . . 28 ASP CB . 15106 1 294 . 1 1 28 28 ASP N N 15 117.7 . . . . . . . 28 ASP N . 15106 1 295 . 1 1 29 29 PRO HA H 1 4.54 . . . . . . . 29 PRO HA . 15106 1 296 . 1 1 29 29 PRO HB2 H 1 2.17 . . . . . . . 29 PRO HB2 . 15106 1 297 . 1 1 29 29 PRO HB3 H 1 1.89 . . . . . . . 29 PRO HB3 . 15106 1 298 . 1 1 29 29 PRO HD2 H 1 3.94 . . . . . . . 29 PRO HD2 . 15106 1 299 . 1 1 29 29 PRO HD3 H 1 3.82 . . . . . . . 29 PRO HD3 . 15106 1 300 . 1 1 29 29 PRO C C 13 178.2 . . . . . . . 29 PRO C . 15106 1 301 . 1 1 29 29 PRO CA C 13 63.1 . . . . . . . 29 PRO CA . 15106 1 302 . 1 1 29 29 PRO CB C 13 31.7 . . . . . . . 29 PRO CB . 15106 1 303 . 1 1 29 29 PRO CG C 13 27.1 . . . . . . . 29 PRO CG . 15106 1 304 . 1 1 29 29 PRO CD C 13 49.8 . . . . . . . 29 PRO CD . 15106 1 305 . 1 1 30 30 ILE H H 1 8.70 . . . . . . . 30 ILE H . 15106 1 306 . 1 1 30 30 ILE HA H 1 4.06 . . . . . . . 30 ILE HA . 15106 1 307 . 1 1 30 30 ILE HB H 1 1.83 . . . . . . . 30 ILE HB . 15106 1 308 . 1 1 30 30 ILE HG12 H 1 1.45 . . . . . . . 30 ILE HG12 . 15106 1 309 . 1 1 30 30 ILE HG13 H 1 1.17 . . . . . . . 30 ILE HG13 . 15106 1 310 . 1 1 30 30 ILE HG21 H 1 0.85 . . . . . . . 30 ILE HG2 . 15106 1 311 . 1 1 30 30 ILE HG22 H 1 0.85 . . . . . . . 30 ILE HG2 . 15106 1 312 . 1 1 30 30 ILE HG23 H 1 0.85 . . . . . . . 30 ILE HG2 . 15106 1 313 . 1 1 30 30 ILE HD11 H 1 0.80 . . . . . . . 30 ILE HD1 . 15106 1 314 . 1 1 30 30 ILE HD12 H 1 0.80 . . . . . . . 30 ILE HD1 . 15106 1 315 . 1 1 30 30 ILE HD13 H 1 0.80 . . . . . . . 30 ILE HD1 . 15106 1 316 . 1 1 30 30 ILE C C 13 176.6 . . . . . . . 30 ILE C . 15106 1 317 . 1 1 30 30 ILE CA C 13 61.9 . . . . . . . 30 ILE CA . 15106 1 318 . 1 1 30 30 ILE CB C 13 38.4 . . . . . . . 30 ILE CB . 15106 1 319 . 1 1 30 30 ILE CG1 C 13 27.4 . . . . . . . 30 ILE CG1 . 15106 1 320 . 1 1 30 30 ILE CG2 C 13 17.6 . . . . . . . 30 ILE CG2 . 15106 1 321 . 1 1 30 30 ILE CD1 C 13 13.1 . . . . . . . 30 ILE CD1 . 15106 1 322 . 1 1 30 30 ILE N N 15 122.5 . . . . . . . 30 ILE N . 15106 1 323 . 1 1 31 31 GLY H H 1 7.80 . . . . . . . 31 GLY H . 15106 1 324 . 1 1 31 31 GLY HA2 H 1 4.09 . . . . . . . 31 GLY HA2 . 15106 1 325 . 1 1 31 31 GLY CA C 13 45.0 . . . . . . . 31 GLY CA . 15106 1 326 . 1 1 31 31 GLY N N 15 109.2 . . . . . . . 31 GLY N . 15106 1 327 . 1 1 32 32 GLU HA H 1 4.14 . . . . . . . 32 GLU HA . 15106 1 328 . 1 1 32 32 GLU HB2 H 1 2.00 . . . . . . . 32 GLU HB2 . 15106 1 329 . 1 1 32 32 GLU HG2 H 1 2.25 . . . . . . . 32 GLU HG2 . 15106 1 330 . 1 1 32 32 GLU C C 13 178.2 . . . . . . . 32 GLU C . 15106 1 331 . 1 1 32 32 GLU CA C 13 58.6 . . . . . . . 32 GLU CA . 15106 1 332 . 1 1 32 32 GLU CB C 13 29.9 . . . . . . . 32 GLU CB . 15106 1 333 . 1 1 32 32 GLU CG C 13 36.2 . . . . . . . 32 GLU CG . 15106 1 334 . 1 1 33 33 ASP H H 1 8.76 . . . . . . . 33 ASP H . 15106 1 335 . 1 1 33 33 ASP HA H 1 4.39 . . . . . . . 33 ASP HA . 15106 1 336 . 1 1 33 33 ASP HB2 H 1 2.62 . . . . . . . 33 ASP HB2 . 15106 1 337 . 1 1 33 33 ASP C C 13 178.6 . . . . . . . 33 ASP C . 15106 1 338 . 1 1 33 33 ASP CA C 13 56.9 . . . . . . . 33 ASP CA . 15106 1 339 . 1 1 33 33 ASP CB C 13 39.8 . . . . . . . 33 ASP CB . 15106 1 340 . 1 1 33 33 ASP N N 15 119.8 . . . . . . . 33 ASP N . 15106 1 341 . 1 1 34 34 GLU H H 1 8.43 . . . . . . . 34 GLU H . 15106 1 342 . 1 1 34 34 GLU HA H 1 4.11 . . . . . . . 34 GLU HA . 15106 1 343 . 1 1 34 34 GLU HB2 H 1 2.08 . . . . . . . 34 GLU HB2 . 15106 1 344 . 1 1 34 34 GLU HB3 H 1 2.14 . . . . . . . 34 GLU HB3 . 15106 1 345 . 1 1 34 34 GLU HG2 H 1 2.29 . . . . . . . 34 GLU HG2 . 15106 1 346 . 1 1 34 34 GLU C C 13 177.9 . . . . . . . 34 GLU C . 15106 1 347 . 1 1 34 34 GLU CA C 13 60.0 . . . . . . . 34 GLU CA . 15106 1 348 . 1 1 34 34 GLU CB C 13 29.0 . . . . . . . 34 GLU CB . 15106 1 349 . 1 1 34 34 GLU CG C 13 37.6 . . . . . . . 34 GLU CG . 15106 1 350 . 1 1 34 34 GLU N N 15 121.8 . . . . . . . 34 GLU N . 15106 1 351 . 1 1 35 35 THR H H 1 7.91 . . . . . . . 35 THR H . 15106 1 352 . 1 1 35 35 THR HA H 1 3.95 . . . . . . . 35 THR HA . 15106 1 353 . 1 1 35 35 THR HB H 1 4.22 . . . . . . . 35 THR HB . 15106 1 354 . 1 1 35 35 THR HG21 H 1 1.21 . . . . . . . 35 THR HG2 . 15106 1 355 . 1 1 35 35 THR HG22 H 1 1.21 . . . . . . . 35 THR HG2 . 15106 1 356 . 1 1 35 35 THR HG23 H 1 1.21 . . . . . . . 35 THR HG2 . 15106 1 357 . 1 1 35 35 THR C C 13 176.9 . . . . . . . 35 THR C . 15106 1 358 . 1 1 35 35 THR CA C 13 66.0 . . . . . . . 35 THR CA . 15106 1 359 . 1 1 35 35 THR CB C 13 68.5 . . . . . . . 35 THR CB . 15106 1 360 . 1 1 35 35 THR CG2 C 13 22.1 . . . . . . . 35 THR CG2 . 15106 1 361 . 1 1 35 35 THR N N 15 115.2 . . . . . . . 35 THR N . 15106 1 362 . 1 1 36 36 THR H H 1 8.39 . . . . . . . 36 THR H . 15106 1 363 . 1 1 36 36 THR HA H 1 3.88 . . . . . . . 36 THR HA . 15106 1 364 . 1 1 36 36 THR HB H 1 4.30 . . . . . . . 36 THR HB . 15106 1 365 . 1 1 36 36 THR HG21 H 1 1.19 . . . . . . . 36 THR HG2 . 15106 1 366 . 1 1 36 36 THR HG22 H 1 1.19 . . . . . . . 36 THR HG2 . 15106 1 367 . 1 1 36 36 THR HG23 H 1 1.19 . . . . . . . 36 THR HG2 . 15106 1 368 . 1 1 36 36 THR C C 13 174.8 . . . . . . . 36 THR C . 15106 1 369 . 1 1 36 36 THR CA C 13 66.0 . . . . . . . 36 THR CA . 15106 1 370 . 1 1 36 36 THR CB C 13 68.6 . . . . . . . 36 THR CB . 15106 1 371 . 1 1 36 36 THR CG2 C 13 22.1 . . . . . . . 36 THR CG2 . 15106 1 372 . 1 1 36 36 THR N N 15 119.5 . . . . . . . 36 THR N . 15106 1 373 . 1 1 37 37 TYR H H 1 8.09 . . . . . . . 37 TYR H . 15106 1 374 . 1 1 37 37 TYR HA H 1 4.12 . . . . . . . 37 TYR HA . 15106 1 375 . 1 1 37 37 TYR HB2 H 1 3.09 . . . . . . . 37 TYR HB2 . 15106 1 376 . 1 1 37 37 TYR HB3 H 1 3.18 . . . . . . . 37 TYR HB3 . 15106 1 377 . 1 1 37 37 TYR C C 13 178.9 . . . . . . . 37 TYR C . 15106 1 378 . 1 1 37 37 TYR CA C 13 61.8 . . . . . . . 37 TYR CA . 15106 1 379 . 1 1 37 37 TYR CB C 13 38.7 . . . . . . . 37 TYR CB . 15106 1 380 . 1 1 37 37 TYR N N 15 123.8 . . . . . . . 37 TYR N . 15106 1 381 . 1 1 38 38 LEU H H 1 8.27 . . . . . . . 38 LEU H . 15106 1 382 . 1 1 38 38 LEU HA H 1 3.95 . . . . . . . 38 LEU HA . 15106 1 383 . 1 1 38 38 LEU HB2 H 1 1.67 . . . . . . . 38 LEU HB2 . 15106 1 384 . 1 1 38 38 LEU HD11 H 1 0.90 . . . . . . . 38 LEU HD1 . 15106 1 385 . 1 1 38 38 LEU HD12 H 1 0.90 . . . . . . . 38 LEU HD1 . 15106 1 386 . 1 1 38 38 LEU HD13 H 1 0.90 . . . . . . . 38 LEU HD1 . 15106 1 387 . 1 1 38 38 LEU HD21 H 1 0.88 . . . . . . . 38 LEU HD2 . 15106 1 388 . 1 1 38 38 LEU HD22 H 1 0.88 . . . . . . . 38 LEU HD2 . 15106 1 389 . 1 1 38 38 LEU HD23 H 1 0.88 . . . . . . . 38 LEU HD2 . 15106 1 390 . 1 1 38 38 LEU C C 13 179.8 . . . . . . . 38 LEU C . 15106 1 391 . 1 1 38 38 LEU CA C 13 58.4 . . . . . . . 38 LEU CA . 15106 1 392 . 1 1 38 38 LEU CB C 13 41.5 . . . . . . . 38 LEU CB . 15106 1 393 . 1 1 38 38 LEU CD1 C 13 24.8 . . . . . . . 38 LEU CD1 . 15106 1 394 . 1 1 38 38 LEU N N 15 120.8 . . . . . . . 38 LEU N . 15106 1 395 . 1 1 39 39 LYS H H 1 8.21 . . . . . . . 39 LYS H . 15106 1 396 . 1 1 39 39 LYS HA H 1 3.99 . . . . . . . 39 LYS HA . 15106 1 397 . 1 1 39 39 LYS HB2 H 1 1.89 . . . . . . . 39 LYS HB2 . 15106 1 398 . 1 1 39 39 LYS HG2 H 1 1.53 . . . . . . . 39 LYS HG2 . 15106 1 399 . 1 1 39 39 LYS C C 13 178.9 . . . . . . . 39 LYS C . 15106 1 400 . 1 1 39 39 LYS CA C 13 59.2 . . . . . . . 39 LYS CA . 15106 1 401 . 1 1 39 39 LYS CB C 13 32.0 . . . . . . . 39 LYS CB . 15106 1 402 . 1 1 39 39 LYS CG C 13 25.1 . . . . . . . 39 LYS CG . 15106 1 403 . 1 1 39 39 LYS CD C 13 29.1 . . . . . . . 39 LYS CD . 15106 1 404 . 1 1 39 39 LYS CE C 13 40.0 . . . . . . . 39 LYS CE . 15106 1 405 . 1 1 39 39 LYS N N 15 120.7 . . . . . . . 39 LYS N . 15106 1 406 . 1 1 40 40 ASN H H 1 8.11 . . . . . . . 40 ASN H . 15106 1 407 . 1 1 40 40 ASN HA H 1 4.69 . . . . . . . 40 ASN HA . 15106 1 408 . 1 1 40 40 ASN HB2 H 1 2.84 . . . . . . . 40 ASN HB2 . 15106 1 409 . 1 1 40 40 ASN HB3 H 1 2.62 . . . . . . . 40 ASN HB3 . 15106 1 410 . 1 1 40 40 ASN HD21 H 1 7.58 . . . . . . . 40 ASN HD21 . 15106 1 411 . 1 1 40 40 ASN HD22 H 1 6.95 . . . . . . . 40 ASN HD22 . 15106 1 412 . 1 1 40 40 ASN C C 13 175.9 . . . . . . . 40 ASN C . 15106 1 413 . 1 1 40 40 ASN CA C 13 53.7 . . . . . . . 40 ASN CA . 15106 1 414 . 1 1 40 40 ASN CB C 13 38.1 . . . . . . . 40 ASN CG . 15106 1 415 . 1 1 40 40 ASN N N 15 115.7 . . . . . . . 40 ASN N . 15106 1 416 . 1 1 40 40 ASN ND2 N 15 112.7 . . . . . . . 40 ASN ND2 . 15106 1 417 . 1 1 41 41 SER H H 1 7.75 . . . . . . . 41 SER H . 15106 1 418 . 1 1 41 41 SER HA H 1 4.42 . . . . . . . 41 SER HA . 15106 1 419 . 1 1 41 41 SER HB2 H 1 4.09 . . . . . . . 41 SER HB2 . 15106 1 420 . 1 1 41 41 SER HB3 H 1 3.80 . . . . . . . 41 SER HB2 . 15106 1 421 . 1 1 41 41 SER C C 13 173.1 . . . . . . . 41 SER C . 15106 1 422 . 1 1 41 41 SER CA C 13 59.8 . . . . . . . 41 SER CA . 15106 1 423 . 1 1 41 41 SER CB C 13 63.4 . . . . . . . 41 SER CB . 15106 1 424 . 1 1 41 41 SER N N 15 116.2 . . . . . . . 41 SER N . 15106 1 425 . 1 1 42 42 VAL H H 1 6.99 . . . . . . . 42 VAL H . 15106 1 426 . 1 1 42 42 VAL HA H 1 4.14 . . . . . . . 42 VAL HA . 15106 1 427 . 1 1 42 42 VAL HB H 1 1.94 . . . . . . . 42 VAL HB . 15106 1 428 . 1 1 42 42 VAL HG11 H 1 0.88 . . . . . . . 42 VAL HG1 . 15106 1 429 . 1 1 42 42 VAL HG12 H 1 0.88 . . . . . . . 42 VAL HG1 . 15106 1 430 . 1 1 42 42 VAL HG13 H 1 0.88 . . . . . . . 42 VAL HG1 . 15106 1 431 . 1 1 42 42 VAL HG21 H 1 1.08 . . . . . . . 42 VAL HG2 . 15106 1 432 . 1 1 42 42 VAL HG22 H 1 1.08 . . . . . . . 42 VAL HG2 . 15106 1 433 . 1 1 42 42 VAL HG23 H 1 1.08 . . . . . . . 42 VAL HG2 . 15106 1 434 . 1 1 42 42 VAL C C 13 174.3 . . . . . . . 42 VAL C . 15106 1 435 . 1 1 42 42 VAL CA C 13 64.2 . . . . . . . 42 VAL CA . 15106 1 436 . 1 1 42 42 VAL CB C 13 31.6 . . . . . . . 42 VAL CB . 15106 1 437 . 1 1 42 42 VAL CG1 C 13 21.2 . . . . . . . 42 VAL CG1 . 15106 1 438 . 1 1 42 42 VAL CG2 C 13 21.7 . . . . . . . 42 VAL CG2 . 15106 1 439 . 1 1 42 42 VAL N N 15 121.1 . . . . . . . 42 VAL N . 15106 1 440 . 1 1 43 43 CYS H H 1 7.25 . . . . . . . 43 CYS H . 15106 1 441 . 1 1 43 43 CYS HA H 1 4.84 . . . . . . . 43 CYS HA . 15106 1 442 . 1 1 43 43 CYS HB2 H 1 3.15 . . . . . . . 43 CYS HB2 . 15106 1 443 . 1 1 43 43 CYS HB3 H 1 3.06 . . . . . . . 43 CYS HB3 . 15106 1 444 . 1 1 43 43 CYS C C 13 172.0 . . . . . . . 43 CYS C . 15106 1 445 . 1 1 43 43 CYS CA C 13 51.7 . . . . . . . 43 CYS CA . 15106 1 446 . 1 1 43 43 CYS CB C 13 45.3 . . . . . . . 43 CYS CB . 15106 1 447 . 1 1 43 43 CYS N N 15 120.3 . . . . . . . 43 CYS N . 15106 1 448 . 1 1 44 44 ALA H H 1 7.96 . . . . . . . 44 ALA H . 15106 1 449 . 1 1 44 44 ALA HA H 1 4.46 . . . . . . . 44 ALA HA . 15106 1 450 . 1 1 44 44 ALA HB1 H 1 0.84 . . . . . . . 44 ALA HB . 15106 1 451 . 1 1 44 44 ALA HB2 H 1 0.84 . . . . . . . 44 ALA HB . 15106 1 452 . 1 1 44 44 ALA HB3 H 1 0.84 . . . . . . . 44 ALA HB . 15106 1 453 . 1 1 44 44 ALA C C 13 174.0 . . . . . . . 44 ALA C . 15106 1 454 . 1 1 44 44 ALA CA C 13 50.6 . . . . . . . 44 ALA CA . 15106 1 455 . 1 1 44 44 ALA CB C 13 21.0 . . . . . . . 44 ALA CB . 15106 1 456 . 1 1 44 44 ALA N N 15 122.8 . . . . . . . 44 ALA N . 15106 1 457 . 1 1 45 45 GLY H H 1 7.53 . . . . . . . 45 GLY H . 15106 1 458 . 1 1 45 45 GLY HA2 H 1 3.49 . . . . . . . 45 GLY HA2 . 15106 1 459 . 1 1 45 45 GLY HA3 H 1 4.08 . . . . . . . 45 GLY HA3 . 15106 1 460 . 1 1 45 45 GLY CA C 13 45.5 . . . . . . . 45 GLY CA . 15106 1 461 . 1 1 45 45 GLY N N 15 105.5 . . . . . . . 45 GLY N . 15106 1 462 . 1 1 46 46 PRO HA H 1 3.92 . . . . . . . 46 PRO HA . 15106 1 463 . 1 1 46 46 PRO HB2 H 1 2.01 . . . . . . . 46 PRO HB2 . 15106 1 464 . 1 1 46 46 PRO HG2 H 1 2.04 . . . . . . . 46 PRO HG2 . 15106 1 465 . 1 1 46 46 PRO C C 13 175.7 . . . . . . . 46 PRO C . 15106 1 466 . 1 1 46 46 PRO CA C 13 64.3 . . . . . . . 46 PRO CA . 15106 1 467 . 1 1 46 46 PRO CB C 13 33.0 . . . . . . . 46 PRO CB . 15106 1 468 . 1 1 46 46 PRO CG C 13 27.0 . . . . . . . 46 PRO CG . 15106 1 469 . 1 1 47 47 GLU H H 1 8.04 . . . . . . . 47 GLU H . 15106 1 470 . 1 1 47 47 GLU HA H 1 4.21 . . . . . . . 47 GLU HA . 15106 1 471 . 1 1 47 47 GLU HB2 H 1 2.01 . . . . . . . 47 GLU HB2 . 15106 1 472 . 1 1 47 47 GLU HB3 H 1 1.88 . . . . . . . 47 GLU HB3 . 15106 1 473 . 1 1 47 47 GLU HG2 H 1 2.37 . . . . . . . 47 GLU HG2 . 15106 1 474 . 1 1 47 47 GLU C C 13 177.6 . . . . . . . 47 GLU C . 15106 1 475 . 1 1 47 47 GLU CA C 13 56.3 . . . . . . . 47 GLU CA . 15106 1 476 . 1 1 47 47 GLU CB C 13 29.6 . . . . . . . 47 GLU CB . 15106 1 477 . 1 1 47 47 GLU CG C 13 37.3 . . . . . . . 47 GLU CG . 15106 1 478 . 1 1 47 47 GLU N N 15 117.5 . . . . . . . 47 GLU N . 15106 1 479 . 1 1 48 48 ASP H H 1 8.58 . . . . . . . 48 ASP H . 15106 1 480 . 1 1 48 48 ASP HA H 1 4.52 . . . . . . . 48 ASP HA . 15106 1 481 . 1 1 48 48 ASP HB2 H 1 2.65 . . . . . . . 48 ASP HB2 . 15106 1 482 . 1 1 48 48 ASP HB3 H 1 2.48 . . . . . . . 48 ASP HB3 . 15106 1 483 . 1 1 48 48 ASP C C 13 175.1 . . . . . . . 48 ASP C . 15106 1 484 . 1 1 48 48 ASP CA C 13 54.7 . . . . . . . 48 ASP CA . 15106 1 485 . 1 1 48 48 ASP CB C 13 41.0 . . . . . . . 48 ASP CB . 15106 1 486 . 1 1 48 48 ASP N N 15 122.3 . . . . . . . 48 ASP N . 15106 1 487 . 1 1 49 49 ASN H H 1 8.75 . . . . . . . 49 ASN H . 15106 1 488 . 1 1 49 49 ASN HA H 1 4.19 . . . . . . . 49 ASN HA . 15106 1 489 . 1 1 49 49 ASN HB2 H 1 2.57 . . . . . . . 49 ASN HB2 . 15106 1 490 . 1 1 49 49 ASN HB3 H 1 2.92 . . . . . . . 49 ASN HB3 . 15106 1 491 . 1 1 49 49 ASN HD21 H 1 7.55 . . . . . . . 49 ASN HD21 . 15106 1 492 . 1 1 49 49 ASN HD22 H 1 6.97 . . . . . . . 49 ASN HD22 . 15106 1 493 . 1 1 49 49 ASN C C 13 174.5 . . . . . . . 49 ASN C . 15106 1 494 . 1 1 49 49 ASN CA C 13 53.6 . . . . . . . 49 ASN CA . 15106 1 495 . 1 1 49 49 ASN CB C 13 37.8 . . . . . . . 49 ASN CB . 15106 1 496 . 1 1 49 49 ASN N N 15 117.2 . . . . . . . 49 ASN N . 15106 1 497 . 1 1 49 49 ASN ND2 N 15 113.5 . . . . . . . 49 ASN ND2 . 15106 1 498 . 1 1 50 50 SER H H 1 8.54 . . . . . . . 50 SER H . 15106 1 499 . 1 1 50 50 SER HA H 1 4.19 . . . . . . . 50 SER HA . 15106 1 500 . 1 1 50 50 SER HB2 H 1 3.68 . . . . . . . 50 SER HB2 . 15106 1 501 . 1 1 50 50 SER C C 13 175.3 . . . . . . . 50 SER C . 15106 1 502 . 1 1 50 50 SER CA C 13 61.7 . . . . . . . 50 SER CA . 15106 1 503 . 1 1 50 50 SER CB C 13 65.1 . . . . . . . 50 SER CB . 15106 1 504 . 1 1 50 50 SER N N 15 114.9 . . . . . . . 50 SER N . 15106 1 505 . 1 1 51 51 VAL H H 1 9.16 . . . . . . . 51 VAL H . 15106 1 506 . 1 1 51 51 VAL HA H 1 4.73 . . . . . . . 51 VAL HA . 15106 1 507 . 1 1 51 51 VAL HB H 1 1.70 . . . . . . . 51 VAL HB . 15106 1 508 . 1 1 51 51 VAL HG11 H 1 0.70 . . . . . . . 51 VAL HG1 . 15106 1 509 . 1 1 51 51 VAL HG12 H 1 0.70 . . . . . . . 51 VAL HG1 . 15106 1 510 . 1 1 51 51 VAL HG13 H 1 0.70 . . . . . . . 51 VAL HG1 . 15106 1 511 . 1 1 51 51 VAL HG21 H 1 0.69 . . . . . . . 51 VAL HG2 . 15106 1 512 . 1 1 51 51 VAL HG22 H 1 0.69 . . . . . . . 51 VAL HG2 . 15106 1 513 . 1 1 51 51 VAL HG23 H 1 0.69 . . . . . . . 51 VAL HG2 . 15106 1 514 . 1 1 51 51 VAL C C 13 175.1 . . . . . . . 51 VAL C . 15106 1 515 . 1 1 51 51 VAL CA C 13 58.7 . . . . . . . 51 VAL CA . 15106 1 516 . 1 1 51 51 VAL CB C 13 36.2 . . . . . . . 51 VAL CB . 15106 1 517 . 1 1 51 51 VAL CG1 C 13 19.1 . . . . . . . 51 VAL CG1 . 15106 1 518 . 1 1 51 51 VAL CG2 C 13 22.5 . . . . . . . 51 VAL CG2 . 15106 1 519 . 1 1 51 51 VAL N N 15 116.8 . . . . . . . 51 VAL N . 15106 1 520 . 1 1 52 52 CYS H H 1 8.62 . . . . . . . 52 CYS H . 15106 1 521 . 1 1 52 52 CYS HA H 1 4.65 . . . . . . . 52 CYS HA . 15106 1 522 . 1 1 52 52 CYS HB2 H 1 2.72 . . . . . . . 52 CYS HB2 . 15106 1 523 . 1 1 52 52 CYS HB3 H 1 2.53 . . . . . . . 52 CYS HB3 . 15106 1 524 . 1 1 52 52 CYS C C 13 172.3 . . . . . . . 52 CYS C . 15106 1 525 . 1 1 52 52 CYS CA C 13 55.4 . . . . . . . 52 CYS CA . 15106 1 526 . 1 1 52 52 CYS CB C 13 39.9 . . . . . . . 52 CYS CB . 15106 1 527 . 1 1 52 52 CYS N N 15 119.1 . . . . . . . 52 CYS N . 15106 1 528 . 1 1 53 53 CYS H H 1 9.23 . . . . . . . 53 CYS H . 15106 1 529 . 1 1 53 53 CYS HA H 1 4.76 . . . . . . . 53 CYS HA . 15106 1 530 . 1 1 53 53 CYS HB2 H 1 2.53 . . . . . . . 53 CYS HB2 . 15106 1 531 . 1 1 53 53 CYS HB3 H 1 3.53 . . . . . . . 53 CYS HB3 . 15106 1 532 . 1 1 53 53 CYS C C 13 173.8 . . . . . . . 53 CYS C . 15106 1 533 . 1 1 53 53 CYS CA C 13 56.7 . . . . . . . 53 CYS CA . 15106 1 534 . 1 1 53 53 CYS CB C 13 42.7 . . . . . . . 53 CYS CB . 15106 1 535 . 1 1 53 53 CYS N N 15 132.2 . . . . . . . 53 CYS N . 15106 1 536 . 1 1 54 54 GLY H H 1 8.60 . . . . . . . 54 GLY H . 15106 1 537 . 1 1 54 54 GLY HA2 H 1 3.47 . . . . . . . 54 GLY HA2 . 15106 1 538 . 1 1 54 54 GLY HA3 H 1 4.26 . . . . . . . 54 GLY HA3 . 15106 1 539 . 1 1 54 54 GLY CA C 13 46.4 . . . . . . . 54 GLY CA . 15106 1 540 . 1 1 54 54 GLY N N 15 125.4 . . . . . . . 54 GLY N . 15106 1 stop_ save_