data_15105 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15105 _Entry.Title ; Solution Structure of the first 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. . 15105 2 Z. Lv Z. Q. . 15105 3 H. Dai H. E. . 15105 4 D. Velde D. V. . 15105 5 O. Prakash O. . . 15105 6 H. Jiang H. B. . 15105 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BETA-SHEET BETA-SHEET 15105 'DOUBLE HELIX' 'DOUBLE HELIX' 15105 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15105 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 213 15105 '15N chemical shifts' 50 15105 '1H chemical shifts' 333 15105 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 . 15105 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15106 'Clip, second domain' 15105 PDB 2IKD 'BMRB Entry Tracking System' 15105 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15105 _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 published _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. . 15105 1 2 Z. Lu Z. Q. . 15105 1 3 H. Dai H. E. . 15105 1 4 D. Velde D. V. . 15105 1 5 O. Prakash O. . . 15105 1 6 H. Jiang H. B. . 15105 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15105 _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 . . . 15105 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 13 13 SG . 1 . 1 CYS 64 64 SG . . . . . . . . . . 15105 1 2 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 15105 1 3 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . 15105 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 15105 _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 ; MHHHHHHAMGQACTLPNNDK GTCKSLLQCDVASKIISKKP RTAQDEKFLRESACGFDGQT PKVCCP ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'first 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 2014-05-12 loop_ _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 no PDB 2IKD . "Solution Structure Of The First Clip Domain In Pap2" . . . . . 100.00 66 100.00 100.00 1.16e-40 . . . . 15105 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 15105 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 . MET . 15105 1 2 . HIS . 15105 1 3 . HIS . 15105 1 4 . HIS . 15105 1 5 . HIS . 15105 1 6 . HIS . 15105 1 7 . HIS . 15105 1 8 . ALA . 15105 1 9 . MET . 15105 1 10 . GLY . 15105 1 11 . GLN . 15105 1 12 . ALA . 15105 1 13 . CYS . 15105 1 14 . THR . 15105 1 15 . LEU . 15105 1 16 . PRO . 15105 1 17 . ASN . 15105 1 18 . ASN . 15105 1 19 . ASP . 15105 1 20 . LYS . 15105 1 21 . GLY . 15105 1 22 . THR . 15105 1 23 . CYS . 15105 1 24 . LYS . 15105 1 25 . SER . 15105 1 26 . LEU . 15105 1 27 . LEU . 15105 1 28 . GLN . 15105 1 29 . CYS . 15105 1 30 . ASP . 15105 1 31 . VAL . 15105 1 32 . ALA . 15105 1 33 . SER . 15105 1 34 . LYS . 15105 1 35 . ILE . 15105 1 36 . ILE . 15105 1 37 . SER . 15105 1 38 . LYS . 15105 1 39 . LYS . 15105 1 40 . PRO . 15105 1 41 . ARG . 15105 1 42 . THR . 15105 1 43 . ALA . 15105 1 44 . GLN . 15105 1 45 . ASP . 15105 1 46 . GLU . 15105 1 47 . LYS . 15105 1 48 . PHE . 15105 1 49 . LEU . 15105 1 50 . ARG . 15105 1 51 . GLU . 15105 1 52 . SER . 15105 1 53 . ALA . 15105 1 54 . CYS . 15105 1 55 . GLY . 15105 1 56 . PHE . 15105 1 57 . ASP . 15105 1 58 . GLY . 15105 1 59 . GLN . 15105 1 60 . THR . 15105 1 61 . PRO . 15105 1 62 . LYS . 15105 1 63 . VAL . 15105 1 64 . CYS . 15105 1 65 . CYS . 15105 1 66 . PRO . 15105 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 . MET 1 1 15105 1 . HIS 2 2 15105 1 . HIS 3 3 15105 1 . HIS 4 4 15105 1 . HIS 5 5 15105 1 . HIS 6 6 15105 1 . HIS 7 7 15105 1 . ALA 8 8 15105 1 . MET 9 9 15105 1 . GLY 10 10 15105 1 . GLN 11 11 15105 1 . ALA 12 12 15105 1 . CYS 13 13 15105 1 . THR 14 14 15105 1 . LEU 15 15 15105 1 . PRO 16 16 15105 1 . ASN 17 17 15105 1 . ASN 18 18 15105 1 . ASP 19 19 15105 1 . LYS 20 20 15105 1 . GLY 21 21 15105 1 . THR 22 22 15105 1 . CYS 23 23 15105 1 . LYS 24 24 15105 1 . SER 25 25 15105 1 . LEU 26 26 15105 1 . LEU 27 27 15105 1 . GLN 28 28 15105 1 . CYS 29 29 15105 1 . ASP 30 30 15105 1 . VAL 31 31 15105 1 . ALA 32 32 15105 1 . SER 33 33 15105 1 . LYS 34 34 15105 1 . ILE 35 35 15105 1 . ILE 36 36 15105 1 . SER 37 37 15105 1 . LYS 38 38 15105 1 . LYS 39 39 15105 1 . PRO 40 40 15105 1 . ARG 41 41 15105 1 . THR 42 42 15105 1 . ALA 43 43 15105 1 . GLN 44 44 15105 1 . ASP 45 45 15105 1 . GLU 46 46 15105 1 . LYS 47 47 15105 1 . PHE 48 48 15105 1 . LEU 49 49 15105 1 . ARG 50 50 15105 1 . GLU 51 51 15105 1 . SER 52 52 15105 1 . ALA 53 53 15105 1 . CYS 54 54 15105 1 . GLY 55 55 15105 1 . PHE 56 56 15105 1 . ASP 57 57 15105 1 . GLY 58 58 15105 1 . GLN 59 59 15105 1 . THR 60 60 15105 1 . PRO 61 61 15105 1 . LYS 62 62 15105 1 . VAL 63 63 15105 1 . CYS 64 64 15105 1 . CYS 65 65 15105 1 . PRO 66 66 15105 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 15105 _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 . . . . 15105 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 15105 _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 . . . . . . 15105 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 15105 _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 . . . . 15105 1 2 'phosphate buffer' 'natural abundance' . . . . . . 100 . . mM . . . . 15105 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 15105 _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 15105 1 pressure 1 . atm 15105 1 temperature 298 . K 15105 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15105 _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 . . 15105 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15105 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 15105 _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 . . 15105 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15105 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15105 _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' . . 15105 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15105 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15105 _Software.ID 4 _Software.Name CNS _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15105 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15105 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 15105 _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 15105 _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 . . . 15105 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 15105 _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 . . . . . . . . . . . . . . . . 15105 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15105 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 15105 _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 . . . . . . . . . 15105 1 H 1 water protons . . . . ppm 0 na indirect 1 . . . . . . . . . 15105 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 na indirect 0.10132918 . . . . . . . . . 15105 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 15105 _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 $sample . 15105 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 11 11 GLN H H 1 7.74 . . . . . . . 11 GLN H . 15105 1 2 . 1 1 11 11 GLN HA H 1 4.29 . . . . . . . 11 GLN HA . 15105 1 3 . 1 1 11 11 GLN HB2 H 1 2.07 . . . . . . . 11 GLN HB2 . 15105 1 4 . 1 1 11 11 GLN HB3 H 1 1.94 . . . . . . . 11 GLN HB3 . 15105 1 5 . 1 1 11 11 GLN HG2 H 1 2.34 . . . . . . . 11 GLN HG2 . 15105 1 6 . 1 1 11 11 GLN HE21 H 1 7.54 . . . . . . . 11 GLN HE21 . 15105 1 7 . 1 1 11 11 GLN HE22 H 1 6.86 . . . . . . . 11 GLN HE22 . 15105 1 8 . 1 1 11 11 GLN C C 13 175.2 . . . . . . . 11 GLN C . 15105 1 9 . 1 1 11 11 GLN CA C 13 55.4 . . . . . . . 11 GLN CA . 15105 1 10 . 1 1 11 11 GLN CB C 13 29.4 . . . . . . . 11 GLN CB . 15105 1 11 . 1 1 11 11 GLN CG C 13 33.6 . . . . . . . 11 GLN CG . 15105 1 12 . 1 1 11 11 GLN NE2 N 15 112.4 . . . . . . . 11 GLN NE2 . 15105 1 13 . 1 1 12 12 ALA H H 1 8.27 . . . . . . . 12 ALA H . 15105 1 14 . 1 1 12 12 ALA HA H 1 4.53 . . . . . . . 12 ALA HA . 15105 1 15 . 1 1 12 12 ALA HB1 H 1 1.42 . . . . . . . 12 ALA HB . 15105 1 16 . 1 1 12 12 ALA HB2 H 1 1.42 . . . . . . . 12 ALA HB . 15105 1 17 . 1 1 12 12 ALA HB3 H 1 1.42 . . . . . . . 12 ALA HB . 15105 1 18 . 1 1 12 12 ALA C C 13 176.7 . . . . . . . 12 ALA C . 15105 1 19 . 1 1 12 12 ALA CA C 13 52.9 . . . . . . . 12 ALA CA . 15105 1 20 . 1 1 12 12 ALA CB C 13 19.3 . . . . . . . 12 ALA CB . 15105 1 21 . 1 1 12 12 ALA N N 15 126.3 . . . . . . . 12 ALA N . 15105 1 22 . 1 1 13 13 CYS H H 1 8.26 . . . . . . . 13 CYS H . 15105 1 23 . 1 1 13 13 CYS HA H 1 4.89 . . . . . . . 13 CYS HA . 15105 1 24 . 1 1 13 13 CYS HB2 H 1 3.12 . . . . . . . 13 CYS HB2 . 15105 1 25 . 1 1 13 13 CYS HB3 H 1 3.23 . . . . . . . 13 CYS HB3 . 15105 1 26 . 1 1 13 13 CYS C C 13 171.8 . . . . . . . 13 CYS C . 15105 1 27 . 1 1 13 13 CYS CA C 13 54.6 . . . . . . . 13 CYS CA . 15105 1 28 . 1 1 13 13 CYS CB C 13 46.8 . . . . . . . 13 CYS CB . 15105 1 29 . 1 1 13 13 CYS N N 15 117.2 . . . . . . . 13 CYS N . 15105 1 30 . 1 1 14 14 THR H H 1 8.74 . . . . . . . 14 THR H . 15105 1 31 . 1 1 14 14 THR HA H 1 4.64 . . . . . . . 14 THR HA . 15105 1 32 . 1 1 14 14 THR HB H 1 3.84 . . . . . . . 14 THR HB . 15105 1 33 . 1 1 14 14 THR HG21 H 1 1.25 . . . . . . . 14 THR HG1 . 15105 1 34 . 1 1 14 14 THR HG22 H 1 1.25 . . . . . . . 14 THR HG1 . 15105 1 35 . 1 1 14 14 THR HG23 H 1 1.25 . . . . . . . 14 THR HG1 . 15105 1 36 . 1 1 14 14 THR C C 13 173.8 . . . . . . . 14 THR C . 15105 1 37 . 1 1 14 14 THR CA C 13 61.7 . . . . . . . 14 THR CA . 15105 1 38 . 1 1 14 14 THR CB C 13 70.2 . . . . . . . 14 THR CB . 15105 1 39 . 1 1 14 14 THR CG2 C 13 21.8 . . . . . . . 14 THR CG2 . 15105 1 40 . 1 1 14 14 THR N N 15 117.8 . . . . . . . 14 THR N . 15105 1 41 . 1 1 15 15 LEU H H 1 8.97 . . . . . . . 15 LEU H . 15105 1 42 . 1 1 15 15 LEU HA H 1 4.19 . . . . . . . 15 LEU HA . 15105 1 43 . 1 1 15 15 LEU HB2 H 1 1.40 . . . . . . . 15 LEU HB2 . 15105 1 44 . 1 1 15 15 LEU HB3 H 1 1.56 . . . . . . . 15 LEU HB3 . 15105 1 45 . 1 1 15 15 LEU HG H 1 1.38 . . . . . . . 15 LEU HG . 15105 1 46 . 1 1 15 15 LEU HD11 H 1 0.88 . . . . . . . 15 LEU HD1 . 15105 1 47 . 1 1 15 15 LEU HD12 H 1 0.88 . . . . . . . 15 LEU HD1 . 15105 1 48 . 1 1 15 15 LEU HD13 H 1 0.88 . . . . . . . 15 LEU HD1 . 15105 1 49 . 1 1 15 15 LEU HD21 H 1 0.76 . . . . . . . 15 LEU HD2 . 15105 1 50 . 1 1 15 15 LEU HD22 H 1 0.76 . . . . . . . 15 LEU HD2 . 15105 1 51 . 1 1 15 15 LEU HD23 H 1 0.76 . . . . . . . 15 LEU HD2 . 15105 1 52 . 1 1 15 15 LEU CA C 13 54.8 . . . . . . . 15 LEU CA . 15105 1 53 . 1 1 15 15 LEU CB C 13 42.3 . . . . . . . 15 LEU CB . 15105 1 54 . 1 1 15 15 LEU CG C 13 29.7 . . . . . . . 15 LEU CG . 15105 1 55 . 1 1 15 15 LEU CD1 C 13 26.0 . . . . . . . 15 LEU CD1 . 15105 1 56 . 1 1 15 15 LEU CD2 C 13 26.3 . . . . . . . 15 LEU CD2 . 15105 1 57 . 1 1 15 15 LEU N N 15 128.7 . . . . . . . 15 LEU N . 15105 1 58 . 1 1 16 16 PRO HA H 1 4.29 . . . . . . . 16 PRO HA . 15105 1 59 . 1 1 16 16 PRO HB2 H 1 2.36 . . . . . . . 16 PRO HB2 . 15105 1 60 . 1 1 16 16 PRO HB3 H 1 1.79 . . . . . . . 16 PRO HB3 . 15105 1 61 . 1 1 16 16 PRO HG2 H 1 1.63 . . . . . . . 16 PRO HG2 . 15105 1 62 . 1 1 16 16 PRO HD2 H 1 3.38 . . . . . . . 16 PRO HD2 . 15105 1 63 . 1 1 16 16 PRO HD3 H 1 2.88 . . . . . . . 16 PRO HD3 . 15105 1 64 . 1 1 16 16 PRO CA C 13 64.6 . . . . . . . 16 PRO CA . 15105 1 65 . 1 1 16 16 PRO CB C 13 31.7 . . . . . . . 16 PRO CB . 15105 1 66 . 1 1 16 16 PRO CG C 13 28.2 . . . . . . . 16 PRO CG . 15105 1 67 . 1 1 16 16 PRO CD C 13 50.6 . . . . . . . 16 PRO CD . 15105 1 68 . 1 1 17 17 ASN H H 1 7.41 . . . . . . . 17 ASN H . 15105 1 69 . 1 1 17 17 ASN HA H 1 4.60 . . . . . . . 17 ASN HA . 15105 1 70 . 1 1 17 17 ASN HB2 H 1 3.05 . . . . . . . 17 ASN HB2 . 15105 1 71 . 1 1 17 17 ASN HB3 H 1 2.81 . . . . . . . 17 ASN HB3 . 15105 1 72 . 1 1 17 17 ASN C C 13 175.7 . . . . . . . 17 ASN C . 15105 1 73 . 1 1 17 17 ASN CA C 13 52.2 . . . . . . . 17 ASN CA . 15105 1 74 . 1 1 17 17 ASN CB C 13 37.5 . . . . . . . 17 ASN CB . 15105 1 75 . 1 1 18 18 ASN H H 1 8.26 . . . . . . . 18 ASN H . 15105 1 76 . 1 1 18 18 ASN HA H 1 4.17 . . . . . . . 18 ASN HA . 15105 1 77 . 1 1 18 18 ASN HB2 H 1 3.01 . . . . . . . 18 ASN HB2 . 15105 1 78 . 1 1 18 18 ASN HB3 H 1 3.06 . . . . . . . 18 ASN HB3 . 15105 1 79 . 1 1 18 18 ASN HD21 H 1 7.52 . . . . . . . 18 ASN HD21 . 15105 1 80 . 1 1 18 18 ASN HD22 H 1 6.82 . . . . . . . 18 ASN HD22 . 15105 1 81 . 1 1 18 18 ASN C C 13 174.6 . . . . . . . 18 ASN C . 15105 1 82 . 1 1 18 18 ASN CA C 13 55.5 . . . . . . . 18 ASN CA . 15105 1 83 . 1 1 18 18 ASN CB C 13 37.4 . . . . . . . 18 ASN CB . 15105 1 84 . 1 1 18 18 ASN N N 15 111.8 . . . . . . . 18 ASN N . 15105 1 85 . 1 1 18 18 ASN ND2 N 15 112.9 . . . . . . . 18 ASN ND2 . 15105 1 86 . 1 1 19 19 ASP H H 1 7.45 . . . . . . . 19 ASP H . 15105 1 87 . 1 1 19 19 ASP HA H 1 4.72 . . . . . . . 19 ASP HA . 15105 1 88 . 1 1 19 19 ASP HB2 H 1 2.98 . . . . . . . 19 ASP HB2 . 15105 1 89 . 1 1 19 19 ASP HB3 H 1 2.75 . . . . . . . 19 ASP HB3 . 15105 1 90 . 1 1 19 19 ASP C C 13 174.7 . . . . . . . 19 ASP C . 15105 1 91 . 1 1 19 19 ASP CA C 13 54.7 . . . . . . . 19 ASP CA . 15105 1 92 . 1 1 19 19 ASP CB C 13 41.0 . . . . . . . 19 ASP CB . 15105 1 93 . 1 1 19 19 ASP N N 15 119.8 . . . . . . . 19 ASP N . 15105 1 94 . 1 1 20 20 LYS H H 1 8.63 . . . . . . . 20 LYS H . 15105 1 95 . 1 1 20 20 LYS HA H 1 4.66 . . . . . . . 20 LYS HA . 15105 1 96 . 1 1 20 20 LYS HB2 H 1 1.92 . . . . . . . 20 LYS HB2 . 15105 1 97 . 1 1 20 20 LYS HB3 H 1 1.82 . . . . . . . 20 LYS HB3 . 15105 1 98 . 1 1 20 20 LYS HG2 H 1 1.47 . . . . . . . 20 LYS HG2 . 15105 1 99 . 1 1 20 20 LYS HG3 H 1 1.53 . . . . . . . 20 LYS HG3 . 15105 1 100 . 1 1 20 20 LYS HD2 H 1 1.64 . . . . . . . 20 LYS HD2 . 15105 1 101 . 1 1 20 20 LYS HE2 H 1 2.96 . . . . . . . 20 LYS HE2 . 15105 1 102 . 1 1 20 20 LYS C C 13 176.8 . . . . . . . 20 LYS C . 15105 1 103 . 1 1 20 20 LYS CA C 13 56.1 . . . . . . . 20 LYS CA . 15105 1 104 . 1 1 20 20 LYS CB C 13 33.8 . . . . . . . 20 LYS CB . 15105 1 105 . 1 1 20 20 LYS CG C 13 24.9 . . . . . . . 20 LYS CG . 15105 1 106 . 1 1 20 20 LYS CD C 13 28.7 . . . . . . . 20 LYS CD . 15105 1 107 . 1 1 20 20 LYS N N 15 119.5 . . . . . . . 20 LYS N . 15105 1 108 . 1 1 21 21 GLY H H 1 8.36 . . . . . . . 21 GLY H . 15105 1 109 . 1 1 21 21 GLY HA2 H 1 4.66 . . . . . . . 21 GLY HA2 . 15105 1 110 . 1 1 21 21 GLY HA3 H 1 3.66 . . . . . . . 21 GLY HA3 . 15105 1 111 . 1 1 21 21 GLY C C 13 174.1 . . . . . . . 21 GLY C . 15105 1 112 . 1 1 21 21 GLY CA C 13 45.5 . . . . . . . 21 GLY CA . 15105 1 113 . 1 1 21 21 GLY N N 15 109.4 . . . . . . . 21 GLY N . 15105 1 114 . 1 1 22 22 THR H H 1 8.11 . . . . . . . 22 THR H . 15105 1 115 . 1 1 22 22 THR HA H 1 4.85 . . . . . . . 22 THR HA . 15105 1 116 . 1 1 22 22 THR HB H 1 3.72 . . . . . . . 22 THR HB . 15105 1 117 . 1 1 22 22 THR HG21 H 1 1.02 . . . . . . . 22 THR HG2 . 15105 1 118 . 1 1 22 22 THR HG22 H 1 1.02 . . . . . . . 22 THR HG2 . 15105 1 119 . 1 1 22 22 THR HG23 H 1 1.02 . . . . . . . 22 THR HG2 . 15105 1 120 . 1 1 22 22 THR C C 13 174.2 . . . . . . . 22 THR C . 15105 1 121 . 1 1 22 22 THR CA C 13 61.2 . . . . . . . 22 THR CA . 15105 1 122 . 1 1 22 22 THR CB C 13 71.9 . . . . . . . 22 THR CB . 15105 1 123 . 1 1 22 22 THR CG2 C 13 22.0 . . . . . . . 22 THR CG2 . 15105 1 124 . 1 1 22 22 THR N N 15 113.8 . . . . . . . 22 THR N . 15105 1 125 . 1 1 23 23 CYS H H 1 9.03 . . . . . . . 23 CYS H . 15105 1 126 . 1 1 23 23 CYS HA H 1 4.88 . . . . . . . 23 CYS HA . 15105 1 127 . 1 1 23 23 CYS HB2 H 1 2.94 . . . . . . . 23 CYS HB2 . 15105 1 128 . 1 1 23 23 CYS HB3 H 1 2.85 . . . . . . . 23 CYS HB3 . 15105 1 129 . 1 1 23 23 CYS C C 13 173.8 . . . . . . . 23 CYS C . 15105 1 130 . 1 1 23 23 CYS CA C 13 56.6 . . . . . . . 23 CYS CA . 15105 1 131 . 1 1 23 23 CYS CB C 13 41.1 . . . . . . . 23 CYS CB . 15105 1 132 . 1 1 23 23 CYS N N 15 126.3 . . . . . . . 23 CYS N . 15105 1 133 . 1 1 24 24 LYS H H 1 8.99 . . . . . . . 24 LYS H . 15105 1 134 . 1 1 24 24 LYS HA H 1 4.72 . . . . . . . 24 LYS HA . 15105 1 135 . 1 1 24 24 LYS HB2 H 1 1.83 . . . . . . . 24 LYS HB2 . 15105 1 136 . 1 1 24 24 LYS HB3 H 1 1.55 . . . . . . . 24 LYS HB3 . 15105 1 137 . 1 1 24 24 LYS HG2 H 1 1.37 . . . . . . . 24 LYS HG2 . 15105 1 138 . 1 1 24 24 LYS HD2 H 1 1.55 . . . . . . . 24 LYS HD2 . 15105 1 139 . 1 1 24 24 LYS HE2 H 1 2.85 . . . . . . . 24 LYS HE2 . 15105 1 140 . 1 1 24 24 LYS HE3 H 1 2.78 . . . . . . . 24 LYS HE3 . 15105 1 141 . 1 1 24 24 LYS C C 13 174.2 . . . . . . . 24 LYS C . 15105 1 142 . 1 1 24 24 LYS CA C 13 54.8 . . . . . . . 24 LYS CA . 15105 1 143 . 1 1 24 24 LYS CB C 13 37.2 . . . . . . . 24 LYS CB . 15105 1 144 . 1 1 24 24 LYS CG C 13 23.6 . . . . . . . 24 LYS CG . 15105 1 145 . 1 1 24 24 LYS CD C 13 29.9 . . . . . . . 24 LYS CD . 15105 1 146 . 1 1 24 24 LYS CE C 13 42.0 . . . . . . . 24 LYS CE . 15105 1 147 . 1 1 24 24 LYS N N 15 128.6 . . . . . . . 24 LYS N . 15105 1 148 . 1 1 25 25 SER H H 1 8.63 . . . . . . . 25 SER H . 15105 1 149 . 1 1 25 25 SER HA H 1 4.23 . . . . . . . 25 SER HA . 15105 1 150 . 1 1 25 25 SER HB2 H 1 3.96 . . . . . . . 25 SER HB2 . 15105 1 151 . 1 1 25 25 SER HB3 H 1 3.62 . . . . . . . 25 SER HB3 . 15105 1 152 . 1 1 25 25 SER C C 13 176.0 . . . . . . . 25 SER C . 15105 1 153 . 1 1 25 25 SER CA C 13 58.6 . . . . . . . 25 SER CA . 15105 1 154 . 1 1 25 25 SER CB C 13 63.5 . . . . . . . 25 SER CB . 15105 1 155 . 1 1 25 25 SER N N 15 114.2 . . . . . . . 25 SER N . 15105 1 156 . 1 1 26 26 LEU H H 1 8.81 . . . . . . . 26 LEU H . 15105 1 157 . 1 1 26 26 LEU HA H 1 3.82 . . . . . . . 26 LEU HA . 15105 1 158 . 1 1 26 26 LEU HB2 H 1 1.41 . . . . . . . 26 LEU HB2 . 15105 1 159 . 1 1 26 26 LEU HB3 H 1 1.56 . . . . . . . 26 LEU HB3 . 15105 1 160 . 1 1 26 26 LEU HG H 1 1.35 . . . . . . . 26 LEU HG . 15105 1 161 . 1 1 26 26 LEU HD11 H 1 0.79 . . . . . . . 26 LEU HD1 . 15105 1 162 . 1 1 26 26 LEU HD12 H 1 0.79 . . . . . . . 26 LEU HD1 . 15105 1 163 . 1 1 26 26 LEU HD13 H 1 0.79 . . . . . . . 26 LEU HD1 . 15105 1 164 . 1 1 26 26 LEU HD21 H 1 0.81 . . . . . . . 26 LEU HD2 . 15105 1 165 . 1 1 26 26 LEU HD22 H 1 0.81 . . . . . . . 26 LEU HD2 . 15105 1 166 . 1 1 26 26 LEU HD23 H 1 0.81 . . . . . . . 26 LEU HD2 . 15105 1 167 . 1 1 26 26 LEU C C 13 178.2 . . . . . . . 26 LEU C . 15105 1 168 . 1 1 26 26 LEU CA C 13 59.0 . . . . . . . 26 LEU CA . 15105 1 169 . 1 1 26 26 LEU CB C 13 43.1 . . . . . . . 26 LEU CB . 15105 1 170 . 1 1 26 26 LEU CD1 C 13 24.7 . . . . . . . 26 LEU CD1 . 15105 1 171 . 1 1 26 26 LEU N N 15 128.2 . . . . . . . 26 LEU N . 15105 1 172 . 1 1 27 27 LEU H H 1 7.64 . . . . . . . 27 LEU H . 15105 1 173 . 1 1 27 27 LEU HA H 1 4.05 . . . . . . . 27 LEU HA . 15105 1 174 . 1 1 27 27 LEU HB2 H 1 1.58 . . . . . . . 27 LEU HB2 . 15105 1 175 . 1 1 27 27 LEU HG H 1 1.59 . . . . . . . 27 LEU HG . 15105 1 176 . 1 1 27 27 LEU HD11 H 1 0.90 . . . . . . . 27 LEU HD1 . 15105 1 177 . 1 1 27 27 LEU HD12 H 1 0.90 . . . . . . . 27 LEU HD1 . 15105 1 178 . 1 1 27 27 LEU HD13 H 1 0.90 . . . . . . . 27 LEU HD1 . 15105 1 179 . 1 1 27 27 LEU HD21 H 1 0.83 . . . . . . . 27 LEU HD2 . 15105 1 180 . 1 1 27 27 LEU HD22 H 1 0.83 . . . . . . . 27 LEU HD2 . 15105 1 181 . 1 1 27 27 LEU HD23 H 1 0.83 . . . . . . . 27 LEU HD2 . 15105 1 182 . 1 1 27 27 LEU C C 13 178.4 . . . . . . . 27 LEU C . 15105 1 183 . 1 1 27 27 LEU CA C 13 56.4 . . . . . . . 27 LEU CA . 15105 1 184 . 1 1 27 27 LEU CB C 13 41.3 . . . . . . . 27 LEU CB . 15105 1 185 . 1 1 27 27 LEU CG C 13 27.3 . . . . . . . 27 LEU CG . 15105 1 186 . 1 1 27 27 LEU CD1 C 13 25.1 . . . . . . . 27 LEU CD1 . 15105 1 187 . 1 1 27 27 LEU CD2 C 13 22.6 . . . . . . . 27 LEU CD2 . 15105 1 188 . 1 1 27 27 LEU N N 15 113.2 . . . . . . . 27 LEU N . 15105 1 189 . 1 1 28 28 GLN H H 1 7.55 . . . . . . . 28 GLN H . 15105 1 190 . 1 1 28 28 GLN HA H 1 4.44 . . . . . . . 28 GLN HA . 15105 1 191 . 1 1 28 28 GLN HB2 H 1 2.32 . . . . . . . 28 GLN HB2 . 15105 1 192 . 1 1 28 28 GLN HB3 H 1 1.83 . . . . . . . 28 GLN HB3 . 15105 1 193 . 1 1 28 28 GLN HG2 H 1 2.29 . . . . . . . 28 GLN HG2 . 15105 1 194 . 1 1 28 28 GLN HG3 H 1 2.22 . . . . . . . 28 GLN HG3 . 15105 1 195 . 1 1 28 28 GLN C C 13 174.2 . . . . . . . 28 GLN C . 15105 1 196 . 1 1 28 28 GLN CA C 13 54.7 . . . . . . . 28 GLN CA . 15105 1 197 . 1 1 28 28 GLN CB C 13 29.5 . . . . . . . 28 GLN CB . 15105 1 198 . 1 1 28 28 GLN CG C 13 34.0 . . . . . . . 28 GLN CG . 15105 1 199 . 1 1 28 28 GLN N N 15 115.2 . . . . . . . 28 GLN N . 15105 1 200 . 1 1 29 29 CYS H H 1 7.70 . . . . . . . 29 CYS H . 15105 1 201 . 1 1 29 29 CYS HA H 1 5.15 . . . . . . . 29 CYS HA . 15105 1 202 . 1 1 29 29 CYS HB2 H 1 3.25 . . . . . . . 29 CYS HB2 . 15105 1 203 . 1 1 29 29 CYS HB3 H 1 2.43 . . . . . . . 29 CYS HB3 . 15105 1 204 . 1 1 29 29 CYS CA C 13 53.8 . . . . . . . 29 CYS CA . 15105 1 205 . 1 1 29 29 CYS CB C 13 39.5 . . . . . . . 29 CYS CB . 15105 1 206 . 1 1 29 29 CYS N N 15 119.6 . . . . . . . 29 CYS N . 15105 1 207 . 1 1 30 30 ASP H H 1 7.71 . . . . . . . 30 ASP H . 15105 1 208 . 1 1 30 30 ASP HA H 1 4.29 . . . . . . . 30 ASP HA . 15105 1 209 . 1 1 30 30 ASP HB2 H 1 2.68 . . . . . . . 30 ASP HB2 . 15105 1 210 . 1 1 30 30 ASP HB3 H 1 2.60 . . . . . . . 30 ASP HB3 . 15105 1 211 . 1 1 30 30 ASP C C 13 178.4 . . . . . . . 30 ASP C . 15105 1 212 . 1 1 30 30 ASP CA C 13 58.6 . . . . . . . 30 ASP CA . 15105 1 213 . 1 1 30 30 ASP CB C 13 40.9 . . . . . . . 30 ASP CB . 15105 1 214 . 1 1 31 31 VAL H H 1 8.76 . . . . . . . 31 VAL H . 15105 1 215 . 1 1 31 31 VAL HA H 1 3.62 . . . . . . . 31 VAL HA . 15105 1 216 . 1 1 31 31 VAL HB H 1 1.82 . . . . . . . 31 VAL HB . 15105 1 217 . 1 1 31 31 VAL HG11 H 1 1.01 . . . . . . . 31 VAL HG1 . 15105 1 218 . 1 1 31 31 VAL HG12 H 1 1.01 . . . . . . . 31 VAL HG1 . 15105 1 219 . 1 1 31 31 VAL HG13 H 1 1.01 . . . . . . . 31 VAL HG1 . 15105 1 220 . 1 1 31 31 VAL HG21 H 1 0.85 . . . . . . . 31 VAL HG2 . 15105 1 221 . 1 1 31 31 VAL HG22 H 1 0.85 . . . . . . . 31 VAL HG2 . 15105 1 222 . 1 1 31 31 VAL HG23 H 1 0.85 . . . . . . . 31 VAL HG2 . 15105 1 223 . 1 1 31 31 VAL C C 13 177.0 . . . . . . . 31 VAL C . 15105 1 224 . 1 1 31 31 VAL CA C 13 66.9 . . . . . . . 31 VAL CA . 15105 1 225 . 1 1 31 31 VAL CB C 13 31.8 . . . . . . . 31 VAL CB . 15105 1 226 . 1 1 31 31 VAL CG1 C 13 23.3 . . . . . . . 31 VAL CG1 . 15105 1 227 . 1 1 31 31 VAL CG2 C 13 21.0 . . . . . . . 31 VAL CG2 . 15105 1 228 . 1 1 31 31 VAL N N 15 117.7 . . . . . . . 31 VAL N . 15105 1 229 . 1 1 32 32 ALA H H 1 6.76 . . . . . . . 32 ALA H . 15105 1 230 . 1 1 32 32 ALA HA H 1 4.01 . . . . . . . 32 ALA HA . 15105 1 231 . 1 1 32 32 ALA HB1 H 1 1.40 . . . . . . . 32 ALA HB . 15105 1 232 . 1 1 32 32 ALA HB2 H 1 1.40 . . . . . . . 32 ALA HB . 15105 1 233 . 1 1 32 32 ALA HB3 H 1 1.40 . . . . . . . 32 ALA HB . 15105 1 234 . 1 1 32 32 ALA C C 13 178.7 . . . . . . . 32 ALA C . 15105 1 235 . 1 1 32 32 ALA CA C 13 55.4 . . . . . . . 32 ALA CA . 15105 1 236 . 1 1 32 32 ALA CB C 13 19.2 . . . . . . . 32 ALA CB . 15105 1 237 . 1 1 32 32 ALA N N 15 120.1 . . . . . . . 32 ALA N . 15105 1 238 . 1 1 33 33 SER H H 1 8.22 . . . . . . . 33 SER H . 15105 1 239 . 1 1 33 33 SER HA H 1 4.05 . . . . . . . 33 SER HA . 15105 1 240 . 1 1 33 33 SER HB2 H 1 3.84 . . . . . . . 33 SER HB2 . 15105 1 241 . 1 1 33 33 SER C C 13 176.9 . . . . . . . 33 SER C . 15105 1 242 . 1 1 33 33 SER CA C 13 62.6 . . . . . . . 33 SER CA . 15105 1 243 . 1 1 33 33 SER CB C 13 63.6 . . . . . . . 33 SER CB . 15105 1 244 . 1 1 33 33 SER N N 15 113.1 . . . . . . . 33 SER N . 15105 1 245 . 1 1 34 34 LYS H H 1 8.08 . . . . . . . 34 LYS H . 15105 1 246 . 1 1 34 34 LYS HA H 1 4.00 . . . . . . . 34 LYS HA . 15105 1 247 . 1 1 34 34 LYS HB2 H 1 1.88 . . . . . . . 34 LYS HB2 . 15105 1 248 . 1 1 34 34 LYS HB3 H 1 1.84 . . . . . . . 34 LYS HB3 . 15105 1 249 . 1 1 34 34 LYS HG2 H 1 1.56 . . . . . . . 34 LYS HG2 . 15105 1 250 . 1 1 34 34 LYS HD2 H 1 1.64 . . . . . . . 34 LYS HD2 . 15105 1 251 . 1 1 34 34 LYS HE2 H 1 2.87 . . . . . . . 34 LYS HE2 . 15105 1 252 . 1 1 34 34 LYS HE3 H 1 3.07 . . . . . . . 34 LYS HE3 . 15105 1 253 . 1 1 34 34 LYS C C 13 179.3 . . . . . . . 34 LYS C . 15105 1 254 . 1 1 34 34 LYS CA C 13 59.5 . . . . . . . 34 LYS CA . 15105 1 255 . 1 1 34 34 LYS CB C 13 32.6 . . . . . . . 34 LYS CB . 15105 1 256 . 1 1 34 34 LYS CG C 13 25.9 . . . . . . . 34 LYS CG . 15105 1 257 . 1 1 34 34 LYS CD C 13 29.2 . . . . . . . 34 LYS CD . 15105 1 258 . 1 1 34 34 LYS CE C 13 42.0 . . . . . . . 34 LYS CE . 15105 1 259 . 1 1 34 34 LYS N N 15 122.6 . . . . . . . 34 LYS N . 15105 1 260 . 1 1 35 35 ILE H H 1 7.81 . . . . . . . 35 ILE H . 15105 1 261 . 1 1 35 35 ILE HA H 1 3.46 . . . . . . . 35 ILE HA . 15105 1 262 . 1 1 35 35 ILE HB H 1 1.88 . . . . . . . 35 ILE HB . 15105 1 263 . 1 1 35 35 ILE HG12 H 1 1.90 . . . . . . . 35 ILE HG12 . 15105 1 264 . 1 1 35 35 ILE HG13 H 1 0.32 . . . . . . . 35 ILE HG13 . 15105 1 265 . 1 1 35 35 ILE HG21 H 1 0.76 . . . . . . . 35 ILE HG2 . 15105 1 266 . 1 1 35 35 ILE HG22 H 1 0.76 . . . . . . . 35 ILE HG2 . 15105 1 267 . 1 1 35 35 ILE HG23 H 1 0.76 . . . . . . . 35 ILE HG2 . 15105 1 268 . 1 1 35 35 ILE HD11 H 1 0.46 . . . . . . . 35 ILE HD1 . 15105 1 269 . 1 1 35 35 ILE HD12 H 1 0.46 . . . . . . . 35 ILE HD1 . 15105 1 270 . 1 1 35 35 ILE HD13 H 1 0.46 . . . . . . . 35 ILE HD1 . 15105 1 271 . 1 1 35 35 ILE C C 13 177.7 . . . . . . . 35 ILE C . 15105 1 272 . 1 1 35 35 ILE CA C 13 66.0 . . . . . . . 35 ILE CA . 15105 1 273 . 1 1 35 35 ILE CB C 13 37.8 . . . . . . . 35 ILE CB . 15105 1 274 . 1 1 35 35 ILE CG1 C 13 28.4 . . . . . . . 35 ILE CG1 . 15105 1 275 . 1 1 35 35 ILE CG2 C 13 17.8 . . . . . . . 35 ILE CG2 . 15105 1 276 . 1 1 35 35 ILE CD1 C 13 13.4 . . . . . . . 35 ILE CD1 . 15105 1 277 . 1 1 35 35 ILE N N 15 118.9 . . . . . . . 35 ILE N . 15105 1 278 . 1 1 36 36 ILE H H 1 8.21 . . . . . . . 36 ILE H . 15105 1 279 . 1 1 36 36 ILE HA H 1 3.67 . . . . . . . 36 ILE HA . 15105 1 280 . 1 1 36 36 ILE HB H 1 1.90 . . . . . . . 36 ILE HB . 15105 1 281 . 1 1 36 36 ILE HG12 H 1 1.24 . . . . . . . 36 ILE HG12 . 15105 1 282 . 1 1 36 36 ILE HG13 H 1 1.60 . . . . . . . 36 ILE HG13 . 15105 1 283 . 1 1 36 36 ILE HG21 H 1 0.93 . . . . . . . 36 ILE HG2 . 15105 1 284 . 1 1 36 36 ILE HG22 H 1 0.93 . . . . . . . 36 ILE HG2 . 15105 1 285 . 1 1 36 36 ILE HG23 H 1 0.93 . . . . . . . 36 ILE HG2 . 15105 1 286 . 1 1 36 36 ILE HD11 H 1 0.80 . . . . . . . 36 ILE HD1 . 15105 1 287 . 1 1 36 36 ILE HD12 H 1 0.80 . . . . . . . 36 ILE HD1 . 15105 1 288 . 1 1 36 36 ILE HD13 H 1 0.80 . . . . . . . 36 ILE HD1 . 15105 1 289 . 1 1 36 36 ILE C C 13 177.3 . . . . . . . 36 ILE C . 15105 1 290 . 1 1 36 36 ILE CA C 13 64.4 . . . . . . . 36 ILE CA . 15105 1 291 . 1 1 36 36 ILE CB C 13 37.8 . . . . . . . 36 ILE CB . 15105 1 292 . 1 1 36 36 ILE CG1 C 13 30.5 . . . . . . . 36 ILE CG1 . 15105 1 293 . 1 1 36 36 ILE CG2 C 13 17.0 . . . . . . . 36 ILE CG2 . 15105 1 294 . 1 1 36 36 ILE CD1 C 13 14.0 . . . . . . . 36 ILE CD1 . 15105 1 295 . 1 1 36 36 ILE N N 15 117.2 . . . . . . . 36 ILE N . 15105 1 296 . 1 1 37 37 SER H H 1 7.37 . . . . . . . 37 SER H . 15105 1 297 . 1 1 37 37 SER HA H 1 4.35 . . . . . . . 37 SER HA . 15105 1 298 . 1 1 37 37 SER HB2 H 1 3.94 . . . . . . . 37 SER HB2 . 15105 1 299 . 1 1 37 37 SER C C 13 173.5 . . . . . . . 37 SER C . 15105 1 300 . 1 1 37 37 SER CA C 13 59.0 . . . . . . . 37 SER CA . 15105 1 301 . 1 1 37 37 SER CB C 13 64.2 . . . . . . . 37 SER CB . 15105 1 302 . 1 1 37 37 SER N N 15 113.5 . . . . . . . 37 SER N . 15105 1 303 . 1 1 38 38 LYS H H 1 7.27 . . . . . . . 38 LYS H . 15105 1 304 . 1 1 38 38 LYS HA H 1 3.92 . . . . . . . 38 LYS HA . 15105 1 305 . 1 1 38 38 LYS HB2 H 1 1.84 . . . . . . . 38 LYS HB2 . 15105 1 306 . 1 1 38 38 LYS HB3 H 1 1.62 . . . . . . . 38 LYS HB3 . 15105 1 307 . 1 1 38 38 LYS HG2 H 1 1.21 . . . . . . . 38 LYS HG2 . 15105 1 308 . 1 1 38 38 LYS HG3 H 1 2.04 . . . . . . . 38 LYS HG3 . 15105 1 309 . 1 1 38 38 LYS HD2 H 1 2.06 . . . . . . . 38 LYS HD2 . 15105 1 310 . 1 1 38 38 LYS HE2 H 1 2.53 . . . . . . . 38 LYS HE2 . 15105 1 311 . 1 1 38 38 LYS HE3 H 1 3.04 . . . . . . . 38 LYS HE3 . 15105 1 312 . 1 1 38 38 LYS C C 13 175.5 . . . . . . . 38 LYS C . 15105 1 313 . 1 1 38 38 LYS CA C 13 58.3 . . . . . . . 38 LYS CA . 15105 1 314 . 1 1 38 38 LYS CB C 13 33.4 . . . . . . . 38 LYS CB . 15105 1 315 . 1 1 38 38 LYS CG C 13 24.6 . . . . . . . 38 LYS CG . 15105 1 316 . 1 1 38 38 LYS CD C 13 30.5 . . . . . . . 38 LYS CD . 15105 1 317 . 1 1 38 38 LYS CE C 13 41.4 . . . . . . . 38 LYS CE . 15105 1 318 . 1 1 38 38 LYS N N 15 124.3 . . . . . . . 38 LYS N . 15105 1 319 . 1 1 39 39 LYS H H 1 8.42 . . . . . . . 39 LYS H . 15105 1 320 . 1 1 39 39 LYS HA H 1 4.72 . . . . . . . 39 LYS HA . 15105 1 321 . 1 1 39 39 LYS HB2 H 1 1.68 . . . . . . . 39 LYS HB2 . 15105 1 322 . 1 1 39 39 LYS HB3 H 1 1.42 . . . . . . . 39 LYS HB3 . 15105 1 323 . 1 1 39 39 LYS HG2 H 1 1.28 . . . . . . . 39 LYS HG2 . 15105 1 324 . 1 1 39 39 LYS HD2 H 1 1.63 . . . . . . . 39 LYS HD2 . 15105 1 325 . 1 1 39 39 LYS HE2 H 1 2.97 . . . . . . . 39 LYS HE2 . 15105 1 326 . 1 1 39 39 LYS HE3 H 1 2.88 . . . . . . . 39 LYS HE3 . 15105 1 327 . 1 1 39 39 LYS CA C 13 52.7 . . . . . . . 39 LYS CA . 15105 1 328 . 1 1 39 39 LYS CB C 13 34.7 . . . . . . . 39 LYS CB . 15105 1 329 . 1 1 39 39 LYS CG C 13 24.2 . . . . . . . 39 LYS CG . 15105 1 330 . 1 1 39 39 LYS CD C 13 29.3 . . . . . . . 39 LYS CD . 15105 1 331 . 1 1 39 39 LYS CE C 13 42.2 . . . . . . . 39 LYS CE . 15105 1 332 . 1 1 39 39 LYS N N 15 120.6 . . . . . . . 39 LYS N . 15105 1 333 . 1 1 40 40 PRO HA H 1 4.84 . . . . . . . 40 PRO HA . 15105 1 334 . 1 1 40 40 PRO HB2 H 1 2.27 . . . . . . . 40 PRO HB2 . 15105 1 335 . 1 1 40 40 PRO HB3 H 1 1.98 . . . . . . . 40 PRO HB3 . 15105 1 336 . 1 1 40 40 PRO HG2 H 1 1.70 . . . . . . . 40 PRO HG2 . 15105 1 337 . 1 1 40 40 PRO HG3 H 1 1.76 . . . . . . . 40 PRO HG3 . 15105 1 338 . 1 1 40 40 PRO HD2 H 1 3.48 . . . . . . . 40 PRO HD2 . 15105 1 339 . 1 1 40 40 PRO HD3 H 1 3.62 . . . . . . . 40 PRO HD3 . 15105 1 340 . 1 1 40 40 PRO C C 13 175.8 . . . . . . . 40 PRO C . 15105 1 341 . 1 1 40 40 PRO CA C 13 63.2 . . . . . . . 40 PRO CA . 15105 1 342 . 1 1 40 40 PRO CB C 13 34.4 . . . . . . . 40 PRO CB . 15105 1 343 . 1 1 40 40 PRO CG C 13 24.1 . . . . . . . 40 PRO CG . 15105 1 344 . 1 1 40 40 PRO CD C 13 50.0 . . . . . . . 40 PRO CD . 15105 1 345 . 1 1 41 41 ARG H H 1 8.33 . . . . . . . 41 ARG H . 15105 1 346 . 1 1 41 41 ARG HA H 1 4.64 . . . . . . . 41 ARG HA . 15105 1 347 . 1 1 41 41 ARG HB2 H 1 1.89 . . . . . . . 41 ARG HB2 . 15105 1 348 . 1 1 41 41 ARG HG2 H 1 1.86 . . . . . . . 41 ARG HG2 . 15105 1 349 . 1 1 41 41 ARG HG3 H 1 1.77 . . . . . . . 41 ARG HG3 . 15105 1 350 . 1 1 41 41 ARG HD2 H 1 3.44 . . . . . . . 41 ARG HD2 . 15105 1 351 . 1 1 41 41 ARG HD3 H 1 2.99 . . . . . . . 41 ARG HD3 . 15105 1 352 . 1 1 41 41 ARG C C 13 177.7 . . . . . . . 41 ARG C . 15105 1 353 . 1 1 41 41 ARG CA C 13 55.4 . . . . . . . 41 ARG CA . 15105 1 354 . 1 1 41 41 ARG CB C 13 32.0 . . . . . . . 41 ARG CB . 15105 1 355 . 1 1 41 41 ARG CG C 13 28.0 . . . . . . . 41 ARG CG . 15105 1 356 . 1 1 41 41 ARG CD C 13 44.1 . . . . . . . 41 ARG CD . 15105 1 357 . 1 1 41 41 ARG N N 15 119.4 . . . . . . . 41 ARG N . 15105 1 358 . 1 1 42 42 THR H H 1 9.38 . . . . . . . 42 THR H . 15105 1 359 . 1 1 42 42 THR HA H 1 4.48 . . . . . . . 42 THR HA . 15105 1 360 . 1 1 42 42 THR HB H 1 4.77 . . . . . . . 42 THR HB . 15105 1 361 . 1 1 42 42 THR HG21 H 1 1.32 . . . . . . . 42 THR HG2 . 15105 1 362 . 1 1 42 42 THR HG22 H 1 1.32 . . . . . . . 42 THR HG2 . 15105 1 363 . 1 1 42 42 THR HG23 H 1 1.32 . . . . . . . 42 THR HG2 . 15105 1 364 . 1 1 42 42 THR CA C 13 60.9 . . . . . . . 42 THR CA . 15105 1 365 . 1 1 42 42 THR CB C 13 72.3 . . . . . . . 42 THR CB . 15105 1 366 . 1 1 42 42 THR N N 15 116.1 . . . . . . . 42 THR N . 15105 1 367 . 1 1 43 43 ALA H H 1 6.79 . . . . . . . 43 ALA H . 15105 1 368 . 1 1 43 43 ALA HA H 1 4.10 . . . . . . . 43 ALA HA . 15105 1 369 . 1 1 43 43 ALA HB1 H 1 1.39 . . . . . . . 43 ALA HB . 15105 1 370 . 1 1 43 43 ALA HB2 H 1 1.39 . . . . . . . 43 ALA HB . 15105 1 371 . 1 1 43 43 ALA HB3 H 1 1.39 . . . . . . . 43 ALA HB . 15105 1 372 . 1 1 43 43 ALA C C 13 181.1 . . . . . . . 43 ALA C . 15105 1 373 . 1 1 43 43 ALA CA C 13 55.1 . . . . . . . 43 ALA CA . 15105 1 374 . 1 1 43 43 ALA CB C 13 17.7 . . . . . . . 43 ALA CB . 15105 1 375 . 1 1 44 44 GLN H H 1 8.68 . . . . . . . 44 GLN H . 15105 1 376 . 1 1 44 44 GLN HA H 1 3.88 . . . . . . . 44 GLN HA . 15105 1 377 . 1 1 44 44 GLN HB2 H 1 1.90 . . . . . . . 44 GLN HB2 . 15105 1 378 . 1 1 44 44 GLN HB3 H 1 1.65 . . . . . . . 44 GLN HB3 . 15105 1 379 . 1 1 44 44 GLN HG2 H 1 2.43 . . . . . . . 44 GLN HG2 . 15105 1 380 . 1 1 44 44 GLN HE21 H 1 7.48 . . . . . . . 44 GLN HE21 . 15105 1 381 . 1 1 44 44 GLN HE22 H 1 6.81 . . . . . . . 44 GLN HE22 . 15105 1 382 . 1 1 44 44 GLN C C 13 179.2 . . . . . . . 44 GLN C . 15105 1 383 . 1 1 44 44 GLN CA C 13 60.7 . . . . . . . 44 GLN CA . 15105 1 384 . 1 1 44 44 GLN CB C 13 26.0 . . . . . . . 44 GLN CB . 15105 1 385 . 1 1 44 44 GLN CG C 13 35.0 . . . . . . . 44 GLN CG . 15105 1 386 . 1 1 44 44 GLN N N 15 118.6 . . . . . . . 44 GLN N . 15105 1 387 . 1 1 44 44 GLN NE2 N 15 111.4 . . . . . . . 44 GLN NE2 . 15105 1 388 . 1 1 45 45 ASP H H 1 8.09 . . . . . . . 45 ASP H . 15105 1 389 . 1 1 45 45 ASP HA H 1 4.10 . . . . . . . 45 ASP HA . 15105 1 390 . 1 1 45 45 ASP HB2 H 1 3.22 . . . . . . . 45 ASP HB2 . 15105 1 391 . 1 1 45 45 ASP HB3 H 1 2.32 . . . . . . . 45 ASP HB3 . 15105 1 392 . 1 1 45 45 ASP C C 13 177.7 . . . . . . . 45 ASP C . 15105 1 393 . 1 1 45 45 ASP CA C 13 58.3 . . . . . . . 45 ASP CA . 15105 1 394 . 1 1 45 45 ASP CB C 13 40.9 . . . . . . . 45 ASP CB . 15105 1 395 . 1 1 45 45 ASP N N 15 124.3 . . . . . . . 45 ASP N . 15105 1 396 . 1 1 46 46 GLU H H 1 7.91 . . . . . . . 46 GLU H . 15105 1 397 . 1 1 46 46 GLU HA H 1 3.93 . . . . . . . 46 GLU HA . 15105 1 398 . 1 1 46 46 GLU HB2 H 1 2.20 . . . . . . . 46 GLU HB2 . 15105 1 399 . 1 1 46 46 GLU HB3 H 1 2.02 . . . . . . . 46 GLU HB3 . 15105 1 400 . 1 1 46 46 GLU HG2 H 1 2.43 . . . . . . . 46 GLU HG2 . 15105 1 401 . 1 1 46 46 GLU C C 13 179.2 . . . . . . . 46 GLU C . 15105 1 402 . 1 1 46 46 GLU CA C 13 59.6 . . . . . . . 46 GLU CA . 15105 1 403 . 1 1 46 46 GLU CB C 13 29.2 . . . . . . . 46 GLU CB . 15105 1 404 . 1 1 46 46 GLU CG C 13 36.4 . . . . . . . 46 GLU CG . 15105 1 405 . 1 1 46 46 GLU N N 15 117.3 . . . . . . . 46 GLU N . 15105 1 406 . 1 1 47 47 LYS H H 1 8.11 . . . . . . . 47 LYS H . 15105 1 407 . 1 1 47 47 LYS HA H 1 3.91 . . . . . . . 47 LYS HA . 15105 1 408 . 1 1 47 47 LYS HB2 H 1 1.85 . . . . . . . 47 LYS HB2 . 15105 1 409 . 1 1 47 47 LYS HG2 H 1 1.36 . . . . . . . 47 LYS HG2 . 15105 1 410 . 1 1 47 47 LYS HD2 H 1 1.63 . . . . . . . 47 LYS HD2 . 15105 1 411 . 1 1 47 47 LYS HE2 H 1 3.00 . . . . . . . 47 LYS HE2 . 15105 1 412 . 1 1 47 47 LYS C C 13 177.1 . . . . . . . 47 LYS C . 15105 1 413 . 1 1 47 47 LYS CA C 13 59.6 . . . . . . . 47 LYS CA . 15105 1 414 . 1 1 47 47 LYS CB C 13 33.2 . . . . . . . 47 LYS CB . 15105 1 415 . 1 1 47 47 LYS CG C 13 24.6 . . . . . . . 47 LYS CG . 15105 1 416 . 1 1 47 47 LYS CD C 13 29.8 . . . . . . . 47 LYS CD . 15105 1 417 . 1 1 47 47 LYS N N 15 121.3 . . . . . . . 47 LYS N . 15105 1 418 . 1 1 48 48 PHE H H 1 7.87 . . . . . . . 48 PHE H . 15105 1 419 . 1 1 48 48 PHE HA H 1 4.08 . . . . . . . 48 PHE HA . 15105 1 420 . 1 1 48 48 PHE HB2 H 1 3.03 . . . . . . . 48 PHE HB2 . 15105 1 421 . 1 1 48 48 PHE C C 13 178.7 . . . . . . . 48 PHE C . 15105 1 422 . 1 1 48 48 PHE CA C 13 61.4 . . . . . . . 48 PHE CA . 15105 1 423 . 1 1 48 48 PHE CB C 13 40.4 . . . . . . . 48 PHE CB . 15105 1 424 . 1 1 48 48 PHE N N 15 119.2 . . . . . . . 48 PHE N . 15105 1 425 . 1 1 49 49 LEU H H 1 8.17 . . . . . . . 49 LEU H . 15105 1 426 . 1 1 49 49 LEU HA H 1 3.80 . . . . . . . 49 LEU HA . 15105 1 427 . 1 1 49 49 LEU HB2 H 1 1.93 . . . . . . . 49 LEU HB2 . 15105 1 428 . 1 1 49 49 LEU HB3 H 1 1.38 . . . . . . . 49 LEU HB3 . 15105 1 429 . 1 1 49 49 LEU HG H 1 1.30 . . . . . . . 49 LEU HG . 15105 1 430 . 1 1 49 49 LEU HD11 H 1 0.81 . . . . . . . 49 LEU HD1 . 15105 1 431 . 1 1 49 49 LEU HD12 H 1 0.81 . . . . . . . 49 LEU HD1 . 15105 1 432 . 1 1 49 49 LEU HD13 H 1 0.81 . . . . . . . 49 LEU HD1 . 15105 1 433 . 1 1 49 49 LEU HD21 H 1 0.89 . . . . . . . 49 LEU HD2 . 15105 1 434 . 1 1 49 49 LEU HD22 H 1 0.89 . . . . . . . 49 LEU HD2 . 15105 1 435 . 1 1 49 49 LEU HD23 H 1 0.89 . . . . . . . 49 LEU HD2 . 15105 1 436 . 1 1 49 49 LEU C C 13 180.1 . . . . . . . 49 LEU C . 15105 1 437 . 1 1 49 49 LEU CA C 13 57.8 . . . . . . . 49 LEU CA . 15105 1 438 . 1 1 49 49 LEU CB C 13 41.8 . . . . . . . 49 LEU CB . 15105 1 439 . 1 1 49 49 LEU CD1 C 13 25.7 . . . . . . . 49 LEU CD1 . 15105 1 440 . 1 1 49 49 LEU CD2 C 13 22.1 . . . . . . . 49 LEU CD2 . 15105 1 441 . 1 1 49 49 LEU N N 15 119.4 . . . . . . . 49 LEU N . 15105 1 442 . 1 1 50 50 ARG H H 1 8.00 . . . . . . . 50 ARG H . 15105 1 443 . 1 1 50 50 ARG HA H 1 4.04 . . . . . . . 50 ARG HA . 15105 1 444 . 1 1 50 50 ARG HB2 H 1 1.91 . . . . . . . 50 ARG HB2 . 15105 1 445 . 1 1 50 50 ARG HB3 H 1 1.97 . . . . . . . 50 ARG HB3 . 15105 1 446 . 1 1 50 50 ARG HG2 H 1 1.59 . . . . . . . 50 ARG HG2 . 15105 1 447 . 1 1 50 50 ARG HG3 H 1 1.76 . . . . . . . 50 ARG HG3 . 15105 1 448 . 1 1 50 50 ARG HD2 H 1 3.22 . . . . . . . 50 ARG HD2 . 15105 1 449 . 1 1 50 50 ARG HD3 H 1 3.20 . . . . . . . 50 ARG HD3 . 15105 1 450 . 1 1 50 50 ARG C C 13 179.8 . . . . . . . 50 ARG C . 15105 1 451 . 1 1 50 50 ARG CA C 13 59.7 . . . . . . . 50 ARG CA . 15105 1 452 . 1 1 50 50 ARG CB C 13 30.2 . . . . . . . 50 ARG CB . 15105 1 453 . 1 1 50 50 ARG CG C 13 27.5 . . . . . . . 50 ARG CG . 15105 1 454 . 1 1 50 50 ARG CD C 13 43.6 . . . . . . . 50 ARG CD . 15105 1 455 . 1 1 50 50 ARG N N 15 119.7 . . . . . . . 50 ARG N . 15105 1 456 . 1 1 51 51 GLU H H 1 8.24 . . . . . . . 51 GLU H . 15105 1 457 . 1 1 51 51 GLU HA H 1 4.09 . . . . . . . 51 GLU HA . 15105 1 458 . 1 1 51 51 GLU HB2 H 1 1.98 . . . . . . . 51 GLU HB2 . 15105 1 459 . 1 1 51 51 GLU HB3 H 1 1.85 . . . . . . . 51 GLU HB3 . 15105 1 460 . 1 1 51 51 GLU HG2 H 1 2.20 . . . . . . . 51 GLU HG2 . 15105 1 461 . 1 1 51 51 GLU HG3 H 1 2.51 . . . . . . . 51 GLU HG3 . 15105 1 462 . 1 1 51 51 GLU C C 13 177.0 . . . . . . . 51 GLU C . 15105 1 463 . 1 1 51 51 GLU CA C 13 57.8 . . . . . . . 51 GLU CA . 15105 1 464 . 1 1 51 51 GLU CB C 13 29.5 . . . . . . . 51 GLU CB . 15105 1 465 . 1 1 51 51 GLU CG C 13 37.2 . . . . . . . 51 GLU CG . 15105 1 466 . 1 1 51 51 GLU N N 15 117.1 . . . . . . . 51 GLU N . 15105 1 467 . 1 1 52 52 SER H H 1 7.47 . . . . . . . 52 SER H . 15105 1 468 . 1 1 52 52 SER HA H 1 4.41 . . . . . . . 52 SER HA . 15105 1 469 . 1 1 52 52 SER HB2 H 1 3.78 . . . . . . . 52 SER HB2 . 15105 1 470 . 1 1 52 52 SER HB3 H 1 3.53 . . . . . . . 52 SER HB3 . 15105 1 471 . 1 1 52 52 SER C C 13 173.4 . . . . . . . 52 SER C . 15105 1 472 . 1 1 52 52 SER CA C 13 58.9 . . . . . . . 52 SER CA . 15105 1 473 . 1 1 52 52 SER CB C 13 63.7 . . . . . . . 52 SER CB . 15105 1 474 . 1 1 52 52 SER N N 15 113.8 . . . . . . . 52 SER N . 15105 1 475 . 1 1 53 53 ALA H H 1 6.96 . . . . . . . 53 ALA H . 15105 1 476 . 1 1 53 53 ALA HA H 1 4.23 . . . . . . . 53 ALA HA . 15105 1 477 . 1 1 53 53 ALA HB1 H 1 1.49 . . . . . . . 53 ALA HB . 15105 1 478 . 1 1 53 53 ALA HB2 H 1 1.49 . . . . . . . 53 ALA HB . 15105 1 479 . 1 1 53 53 ALA HB3 H 1 1.49 . . . . . . . 53 ALA HB . 15105 1 480 . 1 1 53 53 ALA C C 13 178.2 . . . . . . . 53 ALA C . 15105 1 481 . 1 1 53 53 ALA CA C 13 54.0 . . . . . . . 53 ALA CA . 15105 1 482 . 1 1 53 53 ALA CB C 13 19.2 . . . . . . . 53 ALA CB . 15105 1 483 . 1 1 53 53 ALA N N 15 124.9 . . . . . . . 53 ALA N . 15105 1 484 . 1 1 54 54 CYS H H 1 8.16 . . . . . . . 54 CYS H . 15105 1 485 . 1 1 54 54 CYS HA H 1 4.94 . . . . . . . 54 CYS HA . 15105 1 486 . 1 1 54 54 CYS HB2 H 1 3.19 . . . . . . . 54 CYS HB2 . 15105 1 487 . 1 1 54 54 CYS C C 13 172.7 . . . . . . . 54 CYS C . 15105 1 488 . 1 1 54 54 CYS CA C 13 55.7 . . . . . . . 54 CYS CA . 15105 1 489 . 1 1 54 54 CYS CB C 13 45.8 . . . . . . . 54 CYS CB . 15105 1 490 . 1 1 54 54 CYS N N 15 116.2 . . . . . . . 54 CYS N . 15105 1 491 . 1 1 55 55 GLY H H 1 7.50 . . . . . . . 55 GLY H . 15105 1 492 . 1 1 55 55 GLY HA2 H 1 4.33 . . . . . . . 55 GLY HA2 . 15105 1 493 . 1 1 55 55 GLY HA3 H 1 3.64 . . . . . . . 55 GLY HA3 . 15105 1 494 . 1 1 55 55 GLY C C 13 176.5 . . . . . . . 55 GLY C . 15105 1 495 . 1 1 55 55 GLY CA C 13 44.7 . . . . . . . 55 GLY CA . 15105 1 496 . 1 1 55 55 GLY N N 15 108.8 . . . . . . . 55 GLY N . 15105 1 497 . 1 1 56 56 PHE H H 1 8.70 . . . . . . . 56 PHE H . 15105 1 498 . 1 1 56 56 PHE HA H 1 4.19 . . . . . . . 56 PHE HA . 15105 1 499 . 1 1 56 56 PHE HB2 H 1 2.33 . . . . . . . 56 PHE HB2 . 15105 1 500 . 1 1 56 56 PHE C C 13 178.6 . . . . . . . 56 PHE C . 15105 1 501 . 1 1 56 56 PHE CA C 13 53.6 . . . . . . . 56 PHE CA . 15105 1 502 . 1 1 56 56 PHE CB C 13 37.7 . . . . . . . 56 PHE CB . 15105 1 503 . 1 1 56 56 PHE N N 15 114.6 . . . . . . . 56 PHE N . 15105 1 504 . 1 1 57 57 ASP H H 1 7.55 . . . . . . . 57 ASP H . 15105 1 505 . 1 1 57 57 ASP HA H 1 4.55 . . . . . . . 57 ASP HA . 15105 1 506 . 1 1 57 57 ASP HB2 H 1 2.67 . . . . . . . 57 ASP HB2 . 15105 1 507 . 1 1 57 57 ASP HB3 H 1 2.40 . . . . . . . 57 ASP HB3 . 15105 1 508 . 1 1 57 57 ASP CA C 13 54.7 . . . . . . . 57 ASP CA . 15105 1 509 . 1 1 57 57 ASP CB C 13 41.1 . . . . . . . 57 ASP CB . 15105 1 510 . 1 1 57 57 ASP N N 15 113.6 . . . . . . . 57 ASP N . 15105 1 511 . 1 1 58 58 GLY H H 1 8.27 . . . . . . . 58 GLY H . 15105 1 512 . 1 1 58 58 GLY HA2 H 1 3.57 . . . . . . . 58 GLY HA2 . 15105 1 513 . 1 1 58 58 GLY HA3 H 1 4.05 . . . . . . . 58 GLY HA3 . 15105 1 514 . 1 1 58 58 GLY CA C 13 46.4 . . . . . . . 58 GLY CA . 15105 1 515 . 1 1 58 58 GLY N N 15 120.6 . . . . . . . 58 GLY N . 15105 1 516 . 1 1 59 59 GLN HA H 1 4.33 . . . . . . . 59 GLN HA . 15105 1 517 . 1 1 59 59 GLN HB2 H 1 2.24 . . . . . . . 59 GLN HB2 . 15105 1 518 . 1 1 59 59 GLN HB3 H 1 1.96 . . . . . . . 59 GLN HB3 . 15105 1 519 . 1 1 59 59 GLN HG2 H 1 2.30 . . . . . . . 59 GLN HG2 . 15105 1 520 . 1 1 59 59 GLN C C 13 176.0 . . . . . . . 59 GLN C . 15105 1 521 . 1 1 59 59 GLN CA C 13 55.9 . . . . . . . 59 GLN CA . 15105 1 522 . 1 1 59 59 GLN CB C 13 29.5 . . . . . . . 59 GLN CB . 15105 1 523 . 1 1 59 59 GLN CG C 13 34.1 . . . . . . . 59 GLN CG . 15105 1 524 . 1 1 60 60 THR H H 1 8.35 . . . . . . . 60 THR H . 15105 1 525 . 1 1 60 60 THR HA H 1 4.64 . . . . . . . 60 THR HA . 15105 1 526 . 1 1 60 60 THR HB H 1 4.32 . . . . . . . 60 THR HB . 15105 1 527 . 1 1 60 60 THR HG21 H 1 1.37 . . . . . . . 60 THR HG1 . 15105 1 528 . 1 1 60 60 THR HG22 H 1 1.37 . . . . . . . 60 THR HG1 . 15105 1 529 . 1 1 60 60 THR HG23 H 1 1.37 . . . . . . . 60 THR HG1 . 15105 1 530 . 1 1 60 60 THR CA C 13 60.5 . . . . . . . 60 THR CA . 15105 1 531 . 1 1 60 60 THR CB C 13 70.3 . . . . . . . 60 THR CB . 15105 1 532 . 1 1 60 60 THR CG2 C 13 21.9 . . . . . . . 60 THR CG2 . 15105 1 533 . 1 1 60 60 THR N N 15 119.7 . . . . . . . 60 THR N . 15105 1 534 . 1 1 61 61 PRO HA H 1 4.07 . . . . . . . 61 PRO HA . 15105 1 535 . 1 1 61 61 PRO HB2 H 1 2.16 . . . . . . . 61 PRO HB2 . 15105 1 536 . 1 1 61 61 PRO HB3 H 1 1.70 . . . . . . . 61 PRO HB3 . 15105 1 537 . 1 1 61 61 PRO HG2 H 1 2.06 . . . . . . . 61 PRO HG2 . 15105 1 538 . 1 1 61 61 PRO HG3 H 1 2.01 . . . . . . . 61 PRO HG3 . 15105 1 539 . 1 1 61 61 PRO HD2 H 1 4.12 . . . . . . . 61 PRO HD2 . 15105 1 540 . 1 1 61 61 PRO HD3 H 1 3.80 . . . . . . . 61 PRO HD3 . 15105 1 541 . 1 1 61 61 PRO C C 13 175.6 . . . . . . . 61 PRO C . 15105 1 542 . 1 1 61 61 PRO CA C 13 63.3 . . . . . . . 61 PRO CA . 15105 1 543 . 1 1 61 61 PRO CB C 13 32.3 . . . . . . . 61 PRO CB . 15105 1 544 . 1 1 61 61 PRO CG C 13 27.5 . . . . . . . 61 PRO CG . 15105 1 545 . 1 1 61 61 PRO CD C 13 51.4 . . . . . . . 61 PRO CD . 15105 1 546 . 1 1 62 62 LYS H H 1 8.03 . . . . . . . 62 LYS H . 15105 1 547 . 1 1 62 62 LYS HA H 1 4.66 . . . . . . . 62 LYS HA . 15105 1 548 . 1 1 62 62 LYS HB2 H 1 1.33 . . . . . . . 62 LYS HB2 . 15105 1 549 . 1 1 62 62 LYS HB3 H 1 0.96 . . . . . . . 62 LYS HB3 . 15105 1 550 . 1 1 62 62 LYS HE2 H 1 2.69 . . . . . . . 62 LYS HE2 . 15105 1 551 . 1 1 62 62 LYS C C 13 176.5 . . . . . . . 62 LYS C . 15105 1 552 . 1 1 62 62 LYS CA C 13 54.8 . . . . . . . 62 LYS CA . 15105 1 553 . 1 1 62 62 LYS CB C 13 34.9 . . . . . . . 62 LYS CB . 15105 1 554 . 1 1 62 62 LYS CG C 13 25.5 . . . . . . . 62 LYS CG . 15105 1 555 . 1 1 62 62 LYS N N 15 119.2 . . . . . . . 62 LYS N . 15105 1 556 . 1 1 63 63 VAL H H 1 9.19 . . . . . . . 63 VAL H . 15105 1 557 . 1 1 63 63 VAL HA H 1 4.61 . . . . . . . 63 VAL HA . 15105 1 558 . 1 1 63 63 VAL HB H 1 1.85 . . . . . . . 63 VAL HB . 15105 1 559 . 1 1 63 63 VAL HG11 H 1 0.66 . . . . . . . 63 VAL HG1 . 15105 1 560 . 1 1 63 63 VAL HG12 H 1 0.66 . . . . . . . 63 VAL HG1 . 15105 1 561 . 1 1 63 63 VAL HG13 H 1 0.66 . . . . . . . 63 VAL HG1 . 15105 1 562 . 1 1 63 63 VAL HG21 H 1 0.64 . . . . . . . 63 VAL HG2 . 15105 1 563 . 1 1 63 63 VAL HG22 H 1 0.64 . . . . . . . 63 VAL HG2 . 15105 1 564 . 1 1 63 63 VAL HG23 H 1 0.64 . . . . . . . 63 VAL HG2 . 15105 1 565 . 1 1 63 63 VAL C C 13 173.9 . . . . . . . 63 VAL C . 15105 1 566 . 1 1 63 63 VAL CA C 13 58.3 . . . . . . . 63 VAL CA . 15105 1 567 . 1 1 63 63 VAL CB C 13 35.5 . . . . . . . 63 VAL CB . 15105 1 568 . 1 1 63 63 VAL CG1 C 13 21.9 . . . . . . . 63 VAL CG1 . 15105 1 569 . 1 1 63 63 VAL CG2 C 13 19.3 . . . . . . . 63 VAL CG2 . 15105 1 570 . 1 1 63 63 VAL N N 15 117.1 . . . . . . . 63 VAL N . 15105 1 571 . 1 1 64 64 CYS H H 1 9.06 . . . . . . . 64 CYS H . 15105 1 572 . 1 1 64 64 CYS HA H 1 4.32 . . . . . . . 64 CYS HA . 15105 1 573 . 1 1 64 64 CYS HB2 H 1 2.86 . . . . . . . 64 CYS HB2 . 15105 1 574 . 1 1 64 64 CYS HB3 H 1 2.79 . . . . . . . 64 CYS HB3 . 15105 1 575 . 1 1 64 64 CYS C C 13 171.6 . . . . . . . 64 CYS C . 15105 1 576 . 1 1 64 64 CYS CA C 13 56.0 . . . . . . . 64 CYS CA . 15105 1 577 . 1 1 64 64 CYS CB C 13 39.8 . . . . . . . 64 CYS CB . 15105 1 578 . 1 1 64 64 CYS N N 15 123.5 . . . . . . . 64 CYS N . 15105 1 579 . 1 1 65 65 CYS H H 1 9.02 . . . . . . . 65 CYS H . 15105 1 580 . 1 1 65 65 CYS HA H 1 5.09 . . . . . . . 65 CYS HA . 15105 1 581 . 1 1 65 65 CYS HB2 H 1 2.70 . . . . . . . 65 CYS HB2 . 15105 1 582 . 1 1 65 65 CYS HB3 H 1 3.50 . . . . . . . 65 CYS HB3 . 15105 1 583 . 1 1 65 65 CYS CA C 13 53.4 . . . . . . . 65 CYS CA . 15105 1 584 . 1 1 65 65 CYS CB C 13 43.8 . . . . . . . 65 CYS CB . 15105 1 585 . 1 1 65 65 CYS N N 15 132.0 . . . . . . . 65 CYS N . 15105 1 586 . 1 1 66 66 PRO HA H 1 4.66 . . . . . . . 66 PRO HA . 15105 1 587 . 1 1 66 66 PRO HB2 H 1 2.42 . . . . . . . 66 PRO HB2 . 15105 1 588 . 1 1 66 66 PRO HB3 H 1 2.38 . . . . . . . 66 PRO HB3 . 15105 1 589 . 1 1 66 66 PRO HG2 H 1 2.15 . . . . . . . 66 PRO HG2 . 15105 1 590 . 1 1 66 66 PRO HD2 H 1 3.73 . . . . . . . 66 PRO HD2 . 15105 1 591 . 1 1 66 66 PRO HD3 H 1 4.19 . . . . . . . 66 PRO HD3 . 15105 1 592 . 1 1 66 66 PRO C C 13 176.0 . . . . . . . 66 PRO C . 15105 1 593 . 1 1 66 66 PRO CA C 13 63.1 . . . . . . . 66 PRO CA . 15105 1 594 . 1 1 66 66 PRO CB C 13 32.1 . . . . . . . 66 PRO CB . 15105 1 595 . 1 1 66 66 PRO CG C 13 27.4 . . . . . . . 66 PRO CG . 15105 1 596 . 1 1 66 66 PRO CD C 13 51.0 . . . . . . . 66 PRO CD . 15105 1 stop_ save_