data_17668 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17668 _Entry.Title ; NMR solution structure of ZiaAN sub mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-26 _Entry.Accession_date 2011-05-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Lucia Banci . . . 17668 2 Ivano Bertini . . . 17668 3 Isabella Felli . C. . 17668 4 Anna Pavelkova . . . 17668 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 SPINE2 'Magnetic Resonance Center (CERM)' . 17668 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'metal homeostasis' . 17668 metallochaperones . 17668 NMR . 17668 protein . 17668 'protein-protein interactions' . 17668 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17668 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 17668 '15N chemical shifts' 99 17668 '1H chemical shifts' 512 17668 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-27 2011-05-26 update BMRB 'update entry citation' 17668 1 . . 2011-11-22 2011-05-26 original author 'original release' 17668 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LDI 'BMRB Entry Tracking System' 17668 PDB 2OFG 'the n-terminal domain of the zinc(II) ATPase ziaa in its apo form' 17668 PDB 2OFH 'the n-terminal domain of the zinc(II) ATPase ziaa in its apo form' 17668 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17668 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22198771 _Citation.Full_citation . _Citation.Title 'Cyanobacterial metallochaperone inhibits deleterious side reactions of copper.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 95 _Citation.Page_last 100 _Citation.Year 2012 _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 Steve Tottey . . . 17668 1 2 Carl Patterson . J. . 17668 1 3 Lucia Banci . . . 17668 1 4 Ivano Bertini . . . 17668 1 5 Isabella Felli . C. . 17668 1 6 Anna Pavelkova . . . 17668 1 7 Samantha Dainty . J. . 17668 1 8 Rafael Pernil . . . 17668 1 9 Kevin Waldron . J. . 17668 1 10 Andrew Foster . W. . 17668 1 11 Nigel Robinson . J. . 17668 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17668 _Assembly.ID 1 _Assembly.Name 'ZiaAn sub mutant' _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 'ZiaAn sub mutant' 1 $ZiaAn_sub_mutant A . yes native no no . . . 17668 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZiaAn_sub_mutant _Entity.Sf_category entity _Entity.Sf_framecode ZiaAn_sub_mutant _Entity.Entry_ID 17668 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ZiaAn sub mutant' _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 ; PLKTQQMQVGGMRCAACASS IERALERLKGVAEASVTVAT GRLTVTYDPKQVSEITIQER IAALGYTLAEPKSSVTLNGH KHPHSHREEGHSHSHGAGEF NLKQEL ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7586.802 _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 2LDI . "Nmr Solution Structure Of Ziaan Sub Mutant" . . . . . 66.98 71 100.00 100.00 2.48e-42 . . . . 17668 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 6 PRO . 17668 1 2 7 LEU . 17668 1 3 8 LYS . 17668 1 4 9 THR . 17668 1 5 10 GLN . 17668 1 6 11 GLN . 17668 1 7 12 MET . 17668 1 8 13 GLN . 17668 1 9 14 VAL . 17668 1 10 15 GLY . 17668 1 11 16 GLY . 17668 1 12 17 MET . 17668 1 13 18 ARG . 17668 1 14 19 CYS . 17668 1 15 20 ALA . 17668 1 16 21 ALA . 17668 1 17 22 CYS . 17668 1 18 23 ALA . 17668 1 19 24 SER . 17668 1 20 25 SER . 17668 1 21 26 ILE . 17668 1 22 27 GLU . 17668 1 23 28 ARG . 17668 1 24 29 ALA . 17668 1 25 30 LEU . 17668 1 26 31 GLU . 17668 1 27 32 ARG . 17668 1 28 33 LEU . 17668 1 29 34 LYS . 17668 1 30 35 GLY . 17668 1 31 36 VAL . 17668 1 32 37 ALA . 17668 1 33 38 GLU . 17668 1 34 39 ALA . 17668 1 35 40 SER . 17668 1 36 41 VAL . 17668 1 37 42 THR . 17668 1 38 43 VAL . 17668 1 39 44 ALA . 17668 1 40 45 THR . 17668 1 41 46 GLY . 17668 1 42 47 ARG . 17668 1 43 48 LEU . 17668 1 44 49 THR . 17668 1 45 50 VAL . 17668 1 46 51 THR . 17668 1 47 52 TYR . 17668 1 48 53 ASP . 17668 1 49 54 PRO . 17668 1 50 55 LYS . 17668 1 51 56 GLN . 17668 1 52 57 VAL . 17668 1 53 58 SER . 17668 1 54 59 GLU . 17668 1 55 60 ILE . 17668 1 56 61 THR . 17668 1 57 62 ILE . 17668 1 58 63 GLN . 17668 1 59 64 GLU . 17668 1 60 65 ARG . 17668 1 61 66 ILE . 17668 1 62 67 ALA . 17668 1 63 68 ALA . 17668 1 64 69 LEU . 17668 1 65 70 GLY . 17668 1 66 71 TYR . 17668 1 67 72 THR . 17668 1 68 73 LEU . 17668 1 69 74 ALA . 17668 1 70 75 GLU . 17668 1 71 76 PRO . 17668 1 72 77 LYS . 17668 1 73 78 SER . 17668 1 74 79 SER . 17668 1 75 80 VAL . 17668 1 76 81 THR . 17668 1 77 82 LEU . 17668 1 78 83 ASN . 17668 1 79 84 GLY . 17668 1 80 85 HIS . 17668 1 81 86 LYS . 17668 1 82 87 HIS . 17668 1 83 88 PRO . 17668 1 84 89 HIS . 17668 1 85 90 SER . 17668 1 86 91 HIS . 17668 1 87 92 ARG . 17668 1 88 93 GLU . 17668 1 89 94 GLU . 17668 1 90 95 GLY . 17668 1 91 96 HIS . 17668 1 92 97 SER . 17668 1 93 98 HIS . 17668 1 94 99 SER . 17668 1 95 100 HIS . 17668 1 96 101 GLY . 17668 1 97 102 ALA . 17668 1 98 103 GLY . 17668 1 99 104 GLU . 17668 1 100 105 PHE . 17668 1 101 106 ASN . 17668 1 102 107 LEU . 17668 1 103 108 LYS . 17668 1 104 109 GLN . 17668 1 105 110 GLU . 17668 1 106 111 LEU . 17668 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 . PRO 1 1 17668 1 . LEU 2 2 17668 1 . LYS 3 3 17668 1 . THR 4 4 17668 1 . GLN 5 5 17668 1 . GLN 6 6 17668 1 . MET 7 7 17668 1 . GLN 8 8 17668 1 . VAL 9 9 17668 1 . GLY 10 10 17668 1 . GLY 11 11 17668 1 . MET 12 12 17668 1 . ARG 13 13 17668 1 . CYS 14 14 17668 1 . ALA 15 15 17668 1 . ALA 16 16 17668 1 . CYS 17 17 17668 1 . ALA 18 18 17668 1 . SER 19 19 17668 1 . SER 20 20 17668 1 . ILE 21 21 17668 1 . GLU 22 22 17668 1 . ARG 23 23 17668 1 . ALA 24 24 17668 1 . LEU 25 25 17668 1 . GLU 26 26 17668 1 . ARG 27 27 17668 1 . LEU 28 28 17668 1 . LYS 29 29 17668 1 . GLY 30 30 17668 1 . VAL 31 31 17668 1 . ALA 32 32 17668 1 . GLU 33 33 17668 1 . ALA 34 34 17668 1 . SER 35 35 17668 1 . VAL 36 36 17668 1 . THR 37 37 17668 1 . VAL 38 38 17668 1 . ALA 39 39 17668 1 . THR 40 40 17668 1 . GLY 41 41 17668 1 . ARG 42 42 17668 1 . LEU 43 43 17668 1 . THR 44 44 17668 1 . VAL 45 45 17668 1 . THR 46 46 17668 1 . TYR 47 47 17668 1 . ASP 48 48 17668 1 . PRO 49 49 17668 1 . LYS 50 50 17668 1 . GLN 51 51 17668 1 . VAL 52 52 17668 1 . SER 53 53 17668 1 . GLU 54 54 17668 1 . ILE 55 55 17668 1 . THR 56 56 17668 1 . ILE 57 57 17668 1 . GLN 58 58 17668 1 . GLU 59 59 17668 1 . ARG 60 60 17668 1 . ILE 61 61 17668 1 . ALA 62 62 17668 1 . ALA 63 63 17668 1 . LEU 64 64 17668 1 . GLY 65 65 17668 1 . TYR 66 66 17668 1 . THR 67 67 17668 1 . LEU 68 68 17668 1 . ALA 69 69 17668 1 . GLU 70 70 17668 1 . PRO 71 71 17668 1 . LYS 72 72 17668 1 . SER 73 73 17668 1 . SER 74 74 17668 1 . VAL 75 75 17668 1 . THR 76 76 17668 1 . LEU 77 77 17668 1 . ASN 78 78 17668 1 . GLY 79 79 17668 1 . HIS 80 80 17668 1 . LYS 81 81 17668 1 . HIS 82 82 17668 1 . PRO 83 83 17668 1 . HIS 84 84 17668 1 . SER 85 85 17668 1 . HIS 86 86 17668 1 . ARG 87 87 17668 1 . GLU 88 88 17668 1 . GLU 89 89 17668 1 . GLY 90 90 17668 1 . HIS 91 91 17668 1 . SER 92 92 17668 1 . HIS 93 93 17668 1 . SER 94 94 17668 1 . HIS 95 95 17668 1 . GLY 96 96 17668 1 . ALA 97 97 17668 1 . GLY 98 98 17668 1 . GLU 99 99 17668 1 . PHE 100 100 17668 1 . ASN 101 101 17668 1 . LEU 102 102 17668 1 . LYS 103 103 17668 1 . GLN 104 104 17668 1 . GLU 105 105 17668 1 . LEU 106 106 17668 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 17668 _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 $ZiaAn_sub_mutant . 1148 organism . 'Synechocystis sp. PCC 6803' 'Synechocystis sp. PCC 6803' . . Bacteria . Synechocystis sp. 'PCC 6803' . . . . . . . . . . . . . . . . . . . . 17668 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 17668 _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 $ZiaAn_sub_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta strain (Cat. No. 71402)' . . . . . . . . . . . . . . . pET29 . . . . . . 17668 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17668 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ZiaAN sub' '[U-99% 13C; U-99% 15N]' . . 1 $ZiaAn_sub_mutant . . 0.5 . . mM . . . . 17668 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17668 1 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 17668 1 4 D20 'natural abundance' . . . . . . 10 . . % . . . . 17668 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 17668 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17668 1 pH 7.00 . pH 17668 1 pressure 1 . atm 17668 1 temperature 298 . K 17668 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17668 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17668 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17668 1 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 17668 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17668 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17668 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17668 _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 . 500 . . . 17668 1 2 spectrometer_2 Bruker Avance . 700 . . . 17668 1 3 spectrometer_3 Bruker Avance . 800 . . . 17668 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 17668 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17668 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17668 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17668 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17668 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17668 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17668 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17668 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 17668 _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 dioxane 'methylene carbon' . . . . ppm 0 na direct 1 . . . . . . . . . 17668 1 H 1 TMS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . . . . . 17668 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 na direct 1 . . . . . . . . . 17668 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 17668 _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 '2D 1H-15N HSQC' . . . 17668 1 2 '3D HNCO' . . . 17668 1 3 '3D CBCA(CO)NH' . . . 17668 1 4 '3D HNCACB' . . . 17668 1 5 '3D HCCH-TOCSY' . . . 17668 1 6 '3D 1H-13C NOESY' . . . 17668 1 7 '3D 1H-15N NOESY' . . . 17668 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 PRO HA H 1 4.257 0.020 . 1 . . . A 6 PRO HA . 17668 1 2 . 1 1 1 1 PRO HB2 H 1 1.804 0.020 . 1 . . . . 6 PRO HB2 . 17668 1 3 . 1 1 1 1 PRO HG2 H 1 1.859 0.020 . 1 . . . . 6 PRO HG2 . 17668 1 4 . 1 1 1 1 PRO HD2 H 1 3.629 0.020 . 1 . . . . 6 PRO HD2 . 17668 1 5 . 1 1 1 1 PRO C C 13 176.927 0.3 . 1 . . . A 6 PRO C . 17668 1 6 . 1 1 1 1 PRO CA C 13 63.261 0.3 . 1 . . . A 6 PRO CA . 17668 1 7 . 1 1 1 1 PRO CB C 13 32.242 0.3 . 1 . . . A 6 PRO CB . 17668 1 8 . 1 1 1 1 PRO CG C 13 27.170 0.3 . 1 . . . A 6 PRO CG . 17668 1 9 . 1 1 1 1 PRO CD C 13 50.941 0.3 . 1 . . . A 6 PRO CD . 17668 1 10 . 1 1 2 2 LEU H H 1 7.919 0.020 . 1 . . . A 7 LEU H . 17668 1 11 . 1 1 2 2 LEU HA H 1 4.338 0.020 . 1 . . . A 7 LEU HA . 17668 1 12 . 1 1 2 2 LEU HB2 H 1 1.396 0.020 . 2 . . . . 7 LEU HB2 . 17668 1 13 . 1 1 2 2 LEU HB3 H 1 0.960 0.020 . 2 . . . . 7 LEU HB3 . 17668 1 14 . 1 1 2 2 LEU HG H 1 1.450 0.020 . 1 . . . A 7 LEU HG . 17668 1 15 . 1 1 2 2 LEU HD11 H 1 0.605 0.020 . 1 . . . . 7 LEU HD1 . 17668 1 16 . 1 1 2 2 LEU HD12 H 1 0.605 0.020 . 1 . . . . 7 LEU HD1 . 17668 1 17 . 1 1 2 2 LEU HD13 H 1 0.605 0.020 . 1 . . . . 7 LEU HD1 . 17668 1 18 . 1 1 2 2 LEU HD21 H 1 0.551 0.020 . 1 . . . . 7 LEU HD2 . 17668 1 19 . 1 1 2 2 LEU HD22 H 1 0.551 0.020 . 1 . . . . 7 LEU HD2 . 17668 1 20 . 1 1 2 2 LEU HD23 H 1 0.551 0.020 . 1 . . . . 7 LEU HD2 . 17668 1 21 . 1 1 2 2 LEU C C 13 176.410 0.3 . 1 . . . A 7 LEU C . 17668 1 22 . 1 1 2 2 LEU CA C 13 54.010 0.3 . 1 . . . A 7 LEU CA . 17668 1 23 . 1 1 2 2 LEU CB C 13 43.226 0.3 . 1 . . . A 7 LEU CB . 17668 1 24 . 1 1 2 2 LEU CG C 13 26.977 0.3 . 1 . . . A 7 LEU CG . 17668 1 25 . 1 1 2 2 LEU CD1 C 13 25.432 0.3 . 1 . . . A 7 LEU CD1 . 17668 1 26 . 1 1 2 2 LEU CD2 C 13 22.786 0.3 . 1 . . . A 7 LEU CD2 . 17668 1 27 . 1 1 2 2 LEU N N 15 119.727 0.3 . 1 . . . A 7 LEU N . 17668 1 28 . 1 1 3 3 LYS H H 1 8.650 0.020 . 1 . . . A 8 LYS H . 17668 1 29 . 1 1 3 3 LYS HA H 1 4.365 0.020 . 1 . . . A 8 LYS HA . 17668 1 30 . 1 1 3 3 LYS HB2 H 1 1.014 0.020 . 2 . . . . 8 LYS HB2 . 17668 1 31 . 1 1 3 3 LYS HB3 H 1 1.123 0.020 . 2 . . . . 8 LYS HB3 . 17668 1 32 . 1 1 3 3 LYS HG2 H 1 1.096 0.020 . 2 . . . . 8 LYS HG2 . 17668 1 33 . 1 1 3 3 LYS HG3 H 1 0.938 0.020 . 2 . . . . 8 LYS HG3 . 17668 1 34 . 1 1 3 3 LYS HD2 H 1 1.450 0.020 . 1 . . . . 8 LYS HD2 . 17668 1 35 . 1 1 3 3 LYS HE2 H 1 2.813 0.020 . 1 . . . . 8 LYS HE2 . 17668 1 36 . 1 1 3 3 LYS C C 13 174.512 0.3 . 1 . . . A 8 LYS C . 17668 1 37 . 1 1 3 3 LYS CA C 13 54.741 0.3 . 1 . . . A 8 LYS CA . 17668 1 38 . 1 1 3 3 LYS CB C 13 35.723 0.3 . 1 . . . A 8 LYS CB . 17668 1 39 . 1 1 3 3 LYS CG C 13 25.133 0.3 . 1 . . . A 8 LYS CG . 17668 1 40 . 1 1 3 3 LYS CD C 13 29.530 0.3 . 1 . . . A 8 LYS CD . 17668 1 41 . 1 1 3 3 LYS CE C 13 42.212 0.3 . 1 . . . A 8 LYS CE . 17668 1 42 . 1 1 3 3 LYS N N 15 123.008 0.3 . 1 . . . A 8 LYS N . 17668 1 43 . 1 1 4 4 THR H H 1 8.481 0.020 . 1 . . . A 9 THR H . 17668 1 44 . 1 1 4 4 THR HA H 1 5.372 0.020 . 1 . . . A 9 THR HA . 17668 1 45 . 1 1 4 4 THR HB H 1 3.630 0.020 . 1 . . . A 9 THR HB . 17668 1 46 . 1 1 4 4 THR HG21 H 1 0.932 0.020 . 1 . . . . 9 THR HG2 . 17668 1 47 . 1 1 4 4 THR HG22 H 1 0.932 0.020 . 1 . . . . 9 THR HG2 . 17668 1 48 . 1 1 4 4 THR HG23 H 1 0.932 0.020 . 1 . . . . 9 THR HG2 . 17668 1 49 . 1 1 4 4 THR C C 13 174.170 0.3 . 1 . . . A 9 THR C . 17668 1 50 . 1 1 4 4 THR CA C 13 61.756 0.3 . 1 . . . A 9 THR CA . 17668 1 51 . 1 1 4 4 THR CB C 13 70.757 0.3 . 1 . . . A 9 THR CB . 17668 1 52 . 1 1 4 4 THR CG2 C 13 21.837 0.3 . 1 . . . A 9 THR CG2 . 17668 1 53 . 1 1 4 4 THR N N 15 120.273 0.3 . 1 . . . A 9 THR N . 17668 1 54 . 1 1 5 5 GLN H H 1 9.295 0.020 . 1 . . . A 10 GLN H . 17668 1 55 . 1 1 5 5 GLN HB2 H 1 1.886 0.020 . 1 . . . . 10 GLN HB2 . 17668 1 56 . 1 1 5 5 GLN HG2 H 1 2.267 0.020 . 1 . . . . 10 GLN HG2 . 17668 1 57 . 1 1 5 5 GLN C C 13 173.651 0.3 . 1 . . . A 10 GLN C . 17668 1 58 . 1 1 5 5 GLN CA C 13 54.236 0.3 . 1 . . . A 10 GLN CA . 17668 1 59 . 1 1 5 5 GLN CB C 13 34.484 0.3 . 1 . . . A 10 GLN CB . 17668 1 60 . 1 1 5 5 GLN CG C 13 34.519 0.3 . 1 . . . A 10 GLN CG . 17668 1 61 . 1 1 5 5 GLN N N 15 126.836 0.3 . 1 . . . A 10 GLN N . 17668 1 62 . 1 1 6 6 GLN H H 1 8.425 0.020 . 1 . . . A 11 GLN H . 17668 1 63 . 1 1 6 6 GLN HA H 1 5.646 0.020 . 1 . . . A 11 GLN HA . 17668 1 64 . 1 1 6 6 GLN HB2 H 1 1.858 0.020 . 2 . . . . 11 GLN HB2 . 17668 1 65 . 1 1 6 6 GLN HB3 H 1 1.750 0.020 . 2 . . . . 11 GLN HB3 . 17668 1 66 . 1 1 6 6 GLN HG2 H 1 2.241 0.020 . 1 . . . . 11 GLN HG2 . 17668 1 67 . 1 1 6 6 GLN C C 13 176.069 0.3 . 1 . . . A 11 GLN C . 17668 1 68 . 1 1 6 6 GLN CA C 13 53.760 0.3 . 1 . . . A 11 GLN CA . 17668 1 69 . 1 1 6 6 GLN CB C 13 31.237 0.3 . 1 . . . A 11 GLN CB . 17668 1 70 . 1 1 6 6 GLN CG C 13 34.224 0.3 . 1 . . . A 11 GLN CG . 17668 1 71 . 1 1 6 6 GLN N N 15 121.367 0.3 . 1 . . . A 11 GLN N . 17668 1 72 . 1 1 7 7 MET H H 1 9.294 0.020 . 1 . . . A 12 MET H . 17668 1 73 . 1 1 7 7 MET HB2 H 1 1.996 0.020 . 2 . . . . 12 MET HB2 . 17668 1 74 . 1 1 7 7 MET HB3 H 1 1.560 0.020 . 2 . . . . 12 MET HB3 . 17668 1 75 . 1 1 7 7 MET HG2 H 1 2.486 0.020 . 1 . . . . 12 MET HG2 . 17668 1 76 . 1 1 7 7 MET C C 13 173.824 0.3 . 1 . . . A 12 MET C . 17668 1 77 . 1 1 7 7 MET CA C 13 54.598 0.3 . 1 . . . A 12 MET CA . 17668 1 78 . 1 1 7 7 MET CB C 13 37.258 0.3 . 1 . . . A 12 MET CB . 17668 1 79 . 1 1 7 7 MET CG C 13 33.368 0.3 . 1 . . . A 12 MET CG . 17668 1 80 . 1 1 7 7 MET N N 15 120.273 0.3 . 1 . . . A 12 MET N . 17668 1 81 . 1 1 8 8 GLN H H 1 8.790 0.020 . 1 . . . A 13 GLN H . 17668 1 82 . 1 1 8 8 GLN HB2 H 1 1.913 0.020 . 2 . . . . 13 GLN HB2 . 17668 1 83 . 1 1 8 8 GLN HB3 H 1 1.776 0.020 . 2 . . . . 13 GLN HB3 . 17668 1 84 . 1 1 8 8 GLN C C 13 174.863 0.3 . 1 . . . A 13 GLN C . 17668 1 85 . 1 1 8 8 GLN CA C 13 54.753 0.3 . 1 . . . A 13 GLN CA . 17668 1 86 . 1 1 8 8 GLN CB C 13 30.243 0.3 . 1 . . . A 13 GLN CB . 17668 1 87 . 1 1 8 8 GLN CG C 13 36.273 0.3 . 1 . . . A 13 GLN CG . 17668 1 88 . 1 1 8 8 GLN N N 15 122.461 0.3 . 1 . . . A 13 GLN N . 17668 1 89 . 1 1 9 9 VAL H H 1 8.930 0.020 . 1 . . . A 14 VAL H . 17668 1 90 . 1 1 9 9 VAL HB H 1 1.723 0.020 . 1 . . . A 14 VAL HB . 17668 1 91 . 1 1 9 9 VAL HG11 H 1 0.660 0.020 . 1 . . . . 14 VAL HG1 . 17668 1 92 . 1 1 9 9 VAL HG12 H 1 0.660 0.020 . 1 . . . . 14 VAL HG1 . 17668 1 93 . 1 1 9 9 VAL HG13 H 1 0.660 0.020 . 1 . . . . 14 VAL HG1 . 17668 1 94 . 1 1 9 9 VAL HG21 H 1 0.714 0.020 . 1 . . . . 14 VAL HG2 . 17668 1 95 . 1 1 9 9 VAL HG22 H 1 0.714 0.020 . 1 . . . . 14 VAL HG2 . 17668 1 96 . 1 1 9 9 VAL HG23 H 1 0.714 0.020 . 1 . . . . 14 VAL HG2 . 17668 1 97 . 1 1 9 9 VAL C C 13 176.586 0.3 . 1 . . . A 14 VAL C . 17668 1 98 . 1 1 9 9 VAL CA C 13 61.255 0.3 . 1 . . . A 14 VAL CA . 17668 1 99 . 1 1 9 9 VAL CB C 13 33.467 0.3 . 1 . . . A 14 VAL CB . 17668 1 100 . 1 1 9 9 VAL CG1 C 13 21.913 0.3 . 1 . . . A 14 VAL CG1 . 17668 1 101 . 1 1 9 9 VAL CG2 C 13 22.196 0.3 . 1 . . . A 14 VAL CG2 . 17668 1 102 . 1 1 9 9 VAL N N 15 126.289 0.3 . 1 . . . A 14 VAL N . 17668 1 103 . 1 1 10 10 GLY H H 1 9.351 0.020 . 1 . . . A 15 GLY H . 17668 1 104 . 1 1 10 10 GLY HA2 H 1 3.521 0.020 . 1 . . . . 15 GLY HA2 . 17668 1 105 . 1 1 10 10 GLY C C 13 173.997 0.3 . 1 . . . A 15 GLY C . 17668 1 106 . 1 1 10 10 GLY CA C 13 44.245 0.3 . 1 . . . A 15 GLY CA . 17668 1 107 . 1 1 10 10 GLY N N 15 117.539 0.3 . 1 . . . A 15 GLY N . 17668 1 108 . 1 1 11 11 GLY H H 1 8.284 0.020 . 1 . . . A 16 GLY H . 17668 1 109 . 1 1 11 11 GLY C C 13 176.067 0.3 . 1 . . . A 16 GLY C . 17668 1 110 . 1 1 11 11 GLY CA C 13 45.256 0.3 . 1 . . . A 16 GLY CA . 17668 1 111 . 1 1 11 11 GLY N N 15 107.149 0.3 . 1 . . . A 16 GLY N . 17668 1 112 . 1 1 12 12 MET H H 1 8.509 0.020 . 1 . . . A 17 MET H . 17668 1 113 . 1 1 12 12 MET HB2 H 1 2.160 0.020 . 2 . . . . 17 MET HB2 . 17668 1 114 . 1 1 12 12 MET HB3 H 1 1.558 0.020 . 2 . . . . 17 MET HB3 . 17668 1 115 . 1 1 12 12 MET HG2 H 1 2.049 0.020 . 2 . . . . 17 MET HG2 . 17668 1 116 . 1 1 12 12 MET HG3 H 1 1.450 0.020 . 2 . . . . 17 MET HG3 . 17668 1 117 . 1 1 12 12 MET C C 13 177.102 0.3 . 1 . . . A 17 MET C . 17668 1 118 . 1 1 12 12 MET CA C 13 57.740 0.3 . 1 . . . A 17 MET CA . 17668 1 119 . 1 1 12 12 MET CB C 13 34.243 0.3 . 1 . . . A 17 MET CB . 17668 1 120 . 1 1 12 12 MET CG C 13 32.380 0.3 . 1 . . . A 17 MET CG . 17668 1 121 . 1 1 12 12 MET N N 15 118.633 0.3 . 1 . . . A 17 MET N . 17668 1 122 . 1 1 13 13 ARG H H 1 10.782 0.020 . 1 . . . A 18 ARG H . 17668 1 123 . 1 1 13 13 ARG HB2 H 1 1.831 0.020 . 2 . . . . 18 ARG HB2 . 17668 1 124 . 1 1 13 13 ARG HB3 H 1 1.804 0.020 . 2 . . . . 18 ARG HB3 . 17668 1 125 . 1 1 13 13 ARG HG2 H 1 1.696 0.020 . 2 . . . . 18 ARG HG2 . 17668 1 126 . 1 1 13 13 ARG HG3 H 1 1.532 0.020 . 2 . . . . 18 ARG HG3 . 17668 1 127 . 1 1 13 13 ARG HD2 H 1 3.193 0.020 . 2 . . . . 18 ARG HD2 . 17668 1 128 . 1 1 13 13 ARG HD3 H 1 3.085 0.020 . 2 . . . . 18 ARG HD3 . 17668 1 129 . 1 1 13 13 ARG C C 13 175.032 0.3 . 1 . . . A 18 ARG C . 17668 1 130 . 1 1 13 13 ARG CA C 13 57.239 0.3 . 1 . . . A 18 ARG CA . 17668 1 131 . 1 1 13 13 ARG CB C 13 32.744 0.3 . 1 . . . A 18 ARG CB . 17668 1 132 . 1 1 13 13 ARG CG C 13 27.494 0.3 . 1 . . . A 18 ARG CG . 17668 1 133 . 1 1 13 13 ARG CD C 13 43.322 0.3 . 1 . . . A 18 ARG CD . 17668 1 134 . 1 1 13 13 ARG N N 15 126.836 0.3 . 1 . . . A 18 ARG N . 17668 1 135 . 1 1 14 14 CYS H H 1 8.425 0.020 . 1 . . . A 19 CYS H . 17668 1 136 . 1 1 14 14 CYS HB2 H 1 3.003 0.020 . 2 . . . . 19 CYS HB2 . 17668 1 137 . 1 1 14 14 CYS HB3 H 1 2.949 0.020 . 2 . . . . 19 CYS HB3 . 17668 1 138 . 1 1 14 14 CYS CA C 13 56.217 0.3 . 1 . . . A 19 CYS CA . 17668 1 139 . 1 1 14 14 CYS CB C 13 30.413 0.3 . 1 . . . A 19 CYS CB . 17668 1 140 . 1 1 14 14 CYS N N 15 114.805 0.3 . 1 . . . A 19 CYS N . 17668 1 141 . 1 1 15 15 ALA CA C 13 51.257 0.3 . 1 . . . A 20 ALA CA . 17668 1 142 . 1 1 15 15 ALA CB C 13 19.247 0.3 . 1 . . . A 20 ALA CB . 17668 1 143 . 1 1 16 16 ALA HA H 1 4.147 0.020 . 1 . . . A 21 ALA HA . 17668 1 144 . 1 1 16 16 ALA HB1 H 1 1.438 0.020 . 1 . . . . 21 ALA HB . 17668 1 145 . 1 1 16 16 ALA HB2 H 1 1.438 0.020 . 1 . . . . 21 ALA HB . 17668 1 146 . 1 1 16 16 ALA HB3 H 1 1.438 0.020 . 1 . . . . 21 ALA HB . 17668 1 147 . 1 1 16 16 ALA C C 13 180.553 0.3 . 1 . . . A 21 ALA C . 17668 1 148 . 1 1 16 16 ALA CA C 13 54.756 0.3 . 1 . . . A 21 ALA CA . 17668 1 149 . 1 1 16 16 ALA CB C 13 18.233 0.3 . 1 . . . A 21 ALA CB . 17668 1 150 . 1 1 16 16 ALA N N 15 118.906 0.3 . 1 . . . A 21 ALA N . 17668 1 151 . 1 1 17 17 CYS H H 1 7.640 0.020 . 1 . . . A 22 CYS H . 17668 1 152 . 1 1 17 17 CYS HA H 1 3.821 0.020 . 1 . . . A 22 CYS HA . 17668 1 153 . 1 1 17 17 CYS HB2 H 1 3.112 0.020 . 2 . . . . 22 CYS HB2 . 17668 1 154 . 1 1 17 17 CYS HB3 H 1 2.513 0.020 . 2 . . . . 22 CYS HB3 . 17668 1 155 . 1 1 17 17 CYS C C 13 177.966 0.3 . 1 . . . A 22 CYS C . 17668 1 156 . 1 1 17 17 CYS CA C 13 64.748 0.3 . 1 . . . A 22 CYS CA . 17668 1 157 . 1 1 17 17 CYS CB C 13 29.245 0.3 . 1 . . . A 22 CYS CB . 17668 1 158 . 1 1 17 17 CYS N N 15 121.914 0.3 . 1 . . . A 22 CYS N . 17668 1 159 . 1 1 18 18 ALA H H 1 6.629 0.020 . 1 . . . A 23 ALA H . 17668 1 160 . 1 1 18 18 ALA HA H 1 3.603 0.020 . 1 . . . A 23 ALA HA . 17668 1 161 . 1 1 18 18 ALA C C 13 179.173 0.3 . 1 . . . A 23 ALA C . 17668 1 162 . 1 1 18 18 ALA CA C 13 55.258 0.3 . 1 . . . A 23 ALA CA . 17668 1 163 . 1 1 18 18 ALA CB C 13 18.741 0.3 . 1 . . . A 23 ALA CB . 17668 1 164 . 1 1 18 18 ALA N N 15 119.180 0.3 . 1 . . . A 23 ALA N . 17668 1 165 . 1 1 19 19 SER H H 1 7.752 0.020 . 1 . . . A 24 SER H . 17668 1 166 . 1 1 19 19 SER HA H 1 4.147 0.020 . 1 . . . A 24 SER HA . 17668 1 167 . 1 1 19 19 SER HB2 H 1 3.847 0.020 . 1 . . . . 24 SER HB2 . 17668 1 168 . 1 1 19 19 SER C C 13 176.764 0.3 . 1 . . . A 24 SER C . 17668 1 169 . 1 1 19 19 SER CA C 13 61.259 0.3 . 1 . . . A 24 SER CA . 17668 1 170 . 1 1 19 19 SER CB C 13 62.754 0.3 . 1 . . . A 24 SER CB . 17668 1 171 . 1 1 19 19 SER N N 15 112.618 0.3 . 1 . . . A 24 SER N . 17668 1 172 . 1 1 20 20 SER H H 1 7.989 0.020 . 1 . . . A 25 SER H . 17668 1 173 . 1 1 20 20 SER HA H 1 3.521 0.020 . 1 . . . A 25 SER HA . 17668 1 174 . 1 1 20 20 SER C C 13 177.448 0.3 . 1 . . . A 25 SER C . 17668 1 175 . 1 1 20 20 SER CA C 13 61.870 0.3 . 1 . . . A 25 SER CA . 17668 1 176 . 1 1 20 20 SER CB C 13 62.751 0.3 . 1 . . . A 25 SER CB . 17668 1 177 . 1 1 20 20 SER N N 15 116.992 0.3 . 1 . . . A 25 SER N . 17668 1 178 . 1 1 21 21 ILE H H 1 7.583 0.020 . 1 . . . A 26 ILE H . 17668 1 179 . 1 1 21 21 ILE HA H 1 3.330 0.020 . 1 . . . A 26 ILE HA . 17668 1 180 . 1 1 21 21 ILE HB H 1 1.668 0.020 . 1 . . . A 26 ILE HB . 17668 1 181 . 1 1 21 21 ILE HG12 H 1 1.586 0.020 . 2 . . . . 26 ILE HG12 . 17668 1 182 . 1 1 21 21 ILE HG13 H 1 0.415 0.020 . 2 . . . . 26 ILE HG13 . 17668 1 183 . 1 1 21 21 ILE HG21 H 1 0.497 0.020 . 1 . . . . 26 ILE HG2 . 17668 1 184 . 1 1 21 21 ILE HG22 H 1 0.497 0.020 . 1 . . . . 26 ILE HG2 . 17668 1 185 . 1 1 21 21 ILE HG23 H 1 0.497 0.020 . 1 . . . . 26 ILE HG2 . 17668 1 186 . 1 1 21 21 ILE HD11 H 1 0.061 0.020 . 1 . . . . 26 ILE HD1 . 17668 1 187 . 1 1 21 21 ILE HD12 H 1 0.061 0.020 . 1 . . . . 26 ILE HD1 . 17668 1 188 . 1 1 21 21 ILE HD13 H 1 0.061 0.020 . 1 . . . . 26 ILE HD1 . 17668 1 189 . 1 1 21 21 ILE C C 13 176.930 0.3 . 1 . . . A 26 ILE C . 17668 1 190 . 1 1 21 21 ILE CA C 13 66.255 0.3 . 1 . . . A 26 ILE CA . 17668 1 191 . 1 1 21 21 ILE CB C 13 38.237 0.3 . 1 . . . A 26 ILE CB . 17668 1 192 . 1 1 21 21 ILE CG1 C 13 30.409 0.3 . 1 . . . A 26 ILE CG1 . 17668 1 193 . 1 1 21 21 ILE CG2 C 13 17.802 0.3 . 1 . . . A 26 ILE CG2 . 17668 1 194 . 1 1 21 21 ILE CD1 C 13 14.566 0.3 . 1 . . . A 26 ILE CD1 . 17668 1 195 . 1 1 21 21 ILE N N 15 122.461 0.3 . 1 . . . A 26 ILE N . 17668 1 196 . 1 1 22 22 GLU H H 1 8.004 0.020 . 1 . . . A 27 GLU H . 17668 1 197 . 1 1 22 22 GLU HA H 1 3.466 0.020 . 1 . . . A 27 GLU HA . 17668 1 198 . 1 1 22 22 GLU C C 13 178.916 0.3 . 1 . . . A 27 GLU C . 17668 1 199 . 1 1 22 22 GLU CA C 13 60.753 0.3 . 1 . . . A 27 GLU CA . 17668 1 200 . 1 1 22 22 GLU CB C 13 29.707 0.3 . 1 . . . A 27 GLU CB . 17668 1 201 . 1 1 22 22 GLU CG C 13 36.567 0.3 . 1 . . . A 27 GLU CG . 17668 1 202 . 1 1 22 22 GLU N N 15 116.992 0.3 . 1 . . . A 27 GLU N . 17668 1 203 . 1 1 23 23 ARG H H 1 8.256 0.020 . 1 . . . A 28 ARG H . 17668 1 204 . 1 1 23 23 ARG HA H 1 3.956 0.020 . 1 . . . A 28 ARG HA . 17668 1 205 . 1 1 23 23 ARG HB2 H 1 1.831 0.020 . 2 . . . . 28 ARG HB2 . 17668 1 206 . 1 1 23 23 ARG HB3 H 1 1.721 0.020 . 2 . . . . 28 ARG HB3 . 17668 1 207 . 1 1 23 23 ARG HG2 H 1 1.723 0.020 . 2 . . . . 28 ARG HG2 . 17668 1 208 . 1 1 23 23 ARG HG3 H 1 1.669 0.020 . 2 . . . . 28 ARG HG3 . 17668 1 209 . 1 1 23 23 ARG HD2 H 1 3.112 0.020 . 1 . . . . 28 ARG HD2 . 17668 1 210 . 1 1 23 23 ARG C C 13 179.517 0.3 . 1 . . . A 28 ARG C . 17668 1 211 . 1 1 23 23 ARG CA C 13 58.752 0.3 . 1 . . . A 28 ARG CA . 17668 1 212 . 1 1 23 23 ARG CB C 13 30.746 0.3 . 1 . . . A 28 ARG CB . 17668 1 213 . 1 1 23 23 ARG CG C 13 27.184 0.3 . 1 . . . A 28 ARG CG . 17668 1 214 . 1 1 23 23 ARG CD C 13 43.318 0.3 . 1 . . . A 28 ARG CD . 17668 1 215 . 1 1 23 23 ARG N N 15 114.805 0.3 . 1 . . . A 28 ARG N . 17668 1 216 . 1 1 24 24 ALA H H 1 7.555 0.020 . 1 . . . A 29 ALA H . 17668 1 217 . 1 1 24 24 ALA HA H 1 3.957 0.020 . 1 . . . A 29 ALA HA . 17668 1 218 . 1 1 24 24 ALA HB1 H 1 1.341 0.020 . 1 . . . . 29 ALA HB . 17668 1 219 . 1 1 24 24 ALA HB2 H 1 1.341 0.020 . 1 . . . . 29 ALA HB . 17668 1 220 . 1 1 24 24 ALA HB3 H 1 1.341 0.020 . 1 . . . . 29 ALA HB . 17668 1 221 . 1 1 24 24 ALA C C 13 181.073 0.3 . 1 . . . A 29 ALA C . 17668 1 222 . 1 1 24 24 ALA CA C 13 54.749 0.3 . 1 . . . A 29 ALA CA . 17668 1 223 . 1 1 24 24 ALA CB C 13 18.729 0.3 . 1 . . . A 29 ALA CB . 17668 1 224 . 1 1 24 24 ALA N N 15 118.633 0.3 . 1 . . . A 29 ALA N . 17668 1 225 . 1 1 25 25 LEU H H 1 7.976 0.020 . 1 . . . A 30 LEU H . 17668 1 226 . 1 1 25 25 LEU HA H 1 3.984 0.020 . 1 . . . A 30 LEU HA . 17668 1 227 . 1 1 25 25 LEU HB2 H 1 1.668 0.020 . 2 . . . . 30 LEU HB2 . 17668 1 228 . 1 1 25 25 LEU HB3 H 1 1.015 0.020 . 2 . . . . 30 LEU HB3 . 17668 1 229 . 1 1 25 25 LEU HG H 1 1.805 0.020 . 1 . . . A 30 LEU HG . 17668 1 230 . 1 1 25 25 LEU HD11 H 1 0.632 0.020 . 1 . . . . 30 LEU HD1 . 17668 1 231 . 1 1 25 25 LEU HD12 H 1 0.632 0.020 . 1 . . . . 30 LEU HD1 . 17668 1 232 . 1 1 25 25 LEU HD13 H 1 0.632 0.020 . 1 . . . . 30 LEU HD1 . 17668 1 233 . 1 1 25 25 LEU HD21 H 1 0.551 0.020 . 1 . . . . 30 LEU HD2 . 17668 1 234 . 1 1 25 25 LEU HD22 H 1 0.551 0.020 . 1 . . . . 30 LEU HD2 . 17668 1 235 . 1 1 25 25 LEU HD23 H 1 0.551 0.020 . 1 . . . . 30 LEU HD2 . 17668 1 236 . 1 1 25 25 LEU C C 13 178.658 0.3 . 1 . . . A 30 LEU C . 17668 1 237 . 1 1 25 25 LEU CA C 13 57.221 0.3 . 1 . . . A 30 LEU CA . 17668 1 238 . 1 1 25 25 LEU CB C 13 41.248 0.3 . 1 . . . A 30 LEU CB . 17668 1 239 . 1 1 25 25 LEU CG C 13 27.136 0.3 . 1 . . . A 30 LEU CG . 17668 1 240 . 1 1 25 25 LEU CD1 C 13 23.661 0.3 . 1 . . . A 30 LEU CD1 . 17668 1 241 . 1 1 25 25 LEU CD2 C 13 26.067 0.3 . 1 . . . A 30 LEU CD2 . 17668 1 242 . 1 1 25 25 LEU N N 15 115.899 0.3 . 1 . . . A 30 LEU N . 17668 1 243 . 1 1 26 26 GLU H H 1 8.116 0.020 . 1 . . . A 31 GLU H . 17668 1 244 . 1 1 26 26 GLU HA H 1 3.738 0.020 . 1 . . . A 31 GLU HA . 17668 1 245 . 1 1 26 26 GLU HB2 H 1 1.940 0.020 . 1 . . . . 31 GLU HB2 . 17668 1 246 . 1 1 26 26 GLU HG2 H 1 2.484 0.020 . 1 . . . . 31 GLU HG2 . 17668 1 247 . 1 1 26 26 GLU C C 13 177.793 0.3 . 1 . . . A 31 GLU C . 17668 1 248 . 1 1 26 26 GLU CA C 13 58.727 0.3 . 1 . . . A 31 GLU CA . 17668 1 249 . 1 1 26 26 GLU CB C 13 29.241 0.3 . 1 . . . A 31 GLU CB . 17668 1 250 . 1 1 26 26 GLU CG C 13 37.442 0.3 . 1 . . . A 31 GLU CG . 17668 1 251 . 1 1 26 26 GLU N N 15 115.899 0.3 . 1 . . . A 31 GLU N . 17668 1 252 . 1 1 27 27 ARG H H 1 6.854 0.020 . 1 . . . A 32 ARG H . 17668 1 253 . 1 1 27 27 ARG HA H 1 4.147 0.020 . 1 . . . A 32 ARG HA . 17668 1 254 . 1 1 27 27 ARG HB2 H 1 1.913 0.020 . 1 . . . . 32 ARG HB2 . 17668 1 255 . 1 1 27 27 ARG HG2 H 1 1.750 0.020 . 1 . . . . 32 ARG HG2 . 17668 1 256 . 1 1 27 27 ARG HD2 H 1 3.085 0.020 . 1 . . . . 32 ARG HD2 . 17668 1 257 . 1 1 27 27 ARG C C 13 176.757 0.3 . 1 . . . A 32 ARG C . 17668 1 258 . 1 1 27 27 ARG CA C 13 56.250 0.3 . 1 . . . A 32 ARG CA . 17668 1 259 . 1 1 27 27 ARG CB C 13 30.744 0.3 . 1 . . . A 32 ARG CB . 17668 1 260 . 1 1 27 27 ARG CG C 13 27.484 0.3 . 1 . . . A 32 ARG CG . 17668 1 261 . 1 1 27 27 ARG CD C 13 43.613 0.3 . 1 . . . A 32 ARG CD . 17668 1 262 . 1 1 27 27 ARG N N 15 114.258 0.3 . 1 . . . A 32 ARG N . 17668 1 263 . 1 1 28 28 LEU H H 1 7.501 0.020 . 1 . . . A 33 LEU H . 17668 1 264 . 1 1 28 28 LEU HA H 1 4.202 0.020 . 1 . . . A 33 LEU HA . 17668 1 265 . 1 1 28 28 LEU HB2 H 1 1.722 0.020 . 1 . . . . 33 LEU HB2 . 17668 1 266 . 1 1 28 28 LEU HG H 1 1.669 0.020 . 1 . . . A 33 LEU HG . 17668 1 267 . 1 1 28 28 LEU HD11 H 1 0.661 0.020 . 1 . . . . 33 LEU HD1 . 17668 1 268 . 1 1 28 28 LEU HD12 H 1 0.661 0.020 . 1 . . . . 33 LEU HD1 . 17668 1 269 . 1 1 28 28 LEU HD13 H 1 0.661 0.020 . 1 . . . . 33 LEU HD1 . 17668 1 270 . 1 1 28 28 LEU HD21 H 1 0.606 0.020 . 1 . . . . 33 LEU HD2 . 17668 1 271 . 1 1 28 28 LEU HD22 H 1 0.606 0.020 . 1 . . . . 33 LEU HD2 . 17668 1 272 . 1 1 28 28 LEU HD23 H 1 0.606 0.020 . 1 . . . . 33 LEU HD2 . 17668 1 273 . 1 1 28 28 LEU C C 13 176.412 0.3 . 1 . . . A 33 LEU C . 17668 1 274 . 1 1 28 28 LEU CA C 13 54.249 0.3 . 1 . . . A 33 LEU CA . 17668 1 275 . 1 1 28 28 LEU CB C 13 41.739 0.3 . 1 . . . A 33 LEU CB . 17668 1 276 . 1 1 28 28 LEU CG C 13 26.297 0.3 . 1 . . . A 33 LEU CG . 17668 1 277 . 1 1 28 28 LEU CD1 C 13 25.364 0.3 . 1 . . . A 33 LEU CD1 . 17668 1 278 . 1 1 28 28 LEU CD2 C 13 24.546 0.3 . 1 . . . A 33 LEU CD2 . 17668 1 279 . 1 1 28 28 LEU N N 15 123.008 0.3 . 1 . . . A 33 LEU N . 17668 1 280 . 1 1 29 29 LYS H H 1 8.341 0.020 . 1 . . . A 34 LYS H . 17668 1 281 . 1 1 29 29 LYS HA H 1 3.874 0.020 . 1 . . . A 34 LYS HA . 17668 1 282 . 1 1 29 29 LYS HB2 H 1 1.694 0.020 . 1 . . . . 34 LYS HB2 . 17668 1 283 . 1 1 29 29 LYS HG2 H 1 1.369 0.020 . 2 . . . . 34 LYS HG2 . 17668 1 284 . 1 1 29 29 LYS HG3 H 1 1.286 0.020 . 2 . . . . 34 LYS HG3 . 17668 1 285 . 1 1 29 29 LYS HD2 H 1 1.614 0.020 . 1 . . . . 34 LYS HD2 . 17668 1 286 . 1 1 29 29 LYS HE2 H 1 2.921 0.020 . 1 . . . . 34 LYS HE2 . 17668 1 287 . 1 1 29 29 LYS C C 13 176.412 0.3 . 1 . . . A 34 LYS C . 17668 1 288 . 1 1 29 29 LYS CA C 13 58.242 0.3 . 1 . . . A 34 LYS CA . 17668 1 289 . 1 1 29 29 LYS CB C 13 31.746 0.3 . 1 . . . A 34 LYS CB . 17668 1 290 . 1 1 29 29 LYS CG C 13 24.839 0.3 . 1 . . . A 34 LYS CG . 17668 1 291 . 1 1 29 29 LYS CD C 13 29.240 0.3 . 1 . . . A 34 LYS CD . 17668 1 292 . 1 1 29 29 LYS CE C 13 42.144 0.3 . 1 . . . A 34 LYS CE . 17668 1 293 . 1 1 29 29 LYS N N 15 127.383 0.3 . 1 . . . A 34 LYS N . 17668 1 294 . 1 1 30 30 GLY H H 1 8.509 0.020 . 1 . . . A 35 GLY H . 17668 1 295 . 1 1 30 30 GLY HA2 H 1 4.310 0.020 . 2 . . . . 35 GLY HA2 . 17668 1 296 . 1 1 30 30 GLY HA3 H 1 3.438 0.020 . 2 . . . . 35 GLY HA3 . 17668 1 297 . 1 1 30 30 GLY C C 13 175.715 0.3 . 1 . . . A 35 GLY C . 17668 1 298 . 1 1 30 30 GLY CA C 13 45.488 0.3 . 1 . . . A 35 GLY CA . 17668 1 299 . 1 1 30 30 GLY N N 15 111.524 0.3 . 1 . . . A 35 GLY N . 17668 1 300 . 1 1 31 31 VAL H H 1 7.892 0.020 . 1 . . . A 36 VAL H . 17668 1 301 . 1 1 31 31 VAL HA H 1 3.874 0.020 . 1 . . . A 36 VAL HA . 17668 1 302 . 1 1 31 31 VAL HB H 1 2.431 0.020 . 1 . . . A 36 VAL HB . 17668 1 303 . 1 1 31 31 VAL HG11 H 1 0.687 0.020 . 1 . . . . 36 VAL HG1 . 17668 1 304 . 1 1 31 31 VAL HG12 H 1 0.687 0.020 . 1 . . . . 36 VAL HG1 . 17668 1 305 . 1 1 31 31 VAL HG13 H 1 0.687 0.020 . 1 . . . . 36 VAL HG1 . 17668 1 306 . 1 1 31 31 VAL HG21 H 1 0.551 0.020 . 1 . . . . 36 VAL HG2 . 17668 1 307 . 1 1 31 31 VAL HG22 H 1 0.551 0.020 . 1 . . . . 36 VAL HG2 . 17668 1 308 . 1 1 31 31 VAL HG23 H 1 0.551 0.020 . 1 . . . . 36 VAL HG2 . 17668 1 309 . 1 1 31 31 VAL C C 13 175.032 0.3 . 1 . . . A 36 VAL C . 17668 1 310 . 1 1 31 31 VAL CA C 13 63.757 0.3 . 1 . . . A 36 VAL CA . 17668 1 311 . 1 1 31 31 VAL CB C 13 31.250 0.3 . 1 . . . A 36 VAL CB . 17668 1 312 . 1 1 31 31 VAL CG1 C 13 23.377 0.3 . 1 . . . A 36 VAL CG1 . 17668 1 313 . 1 1 31 31 VAL CG2 C 13 21.907 0.3 . 1 . . . A 36 VAL CG2 . 17668 1 314 . 1 1 31 31 VAL N N 15 122.461 0.3 . 1 . . . A 36 VAL N . 17668 1 315 . 1 1 32 32 ALA H H 1 9.042 0.020 . 1 . . . A 37 ALA H . 17668 1 316 . 1 1 32 32 ALA HA H 1 4.365 0.020 . 1 . . . A 37 ALA HA . 17668 1 317 . 1 1 32 32 ALA HB1 H 1 1.190 0.020 . 1 . . . . 37 ALA HB . 17668 1 318 . 1 1 32 32 ALA HB2 H 1 1.190 0.020 . 1 . . . . 37 ALA HB . 17668 1 319 . 1 1 32 32 ALA HB3 H 1 1.190 0.020 . 1 . . . . 37 ALA HB . 17668 1 320 . 1 1 32 32 ALA C C 13 177.619 0.3 . 1 . . . A 37 ALA C . 17668 1 321 . 1 1 32 32 ALA CA C 13 53.246 0.3 . 1 . . . A 37 ALA CA . 17668 1 322 . 1 1 32 32 ALA CB C 13 20.722 0.3 . 1 . . . A 37 ALA CB . 17668 1 323 . 1 1 32 32 ALA N N 15 131.758 0.3 . 1 . . . A 37 ALA N . 17668 1 324 . 1 1 33 33 GLU H H 1 7.555 0.020 . 1 . . . A 38 GLU H . 17668 1 325 . 1 1 33 33 GLU HA H 1 4.501 0.020 . 1 . . . A 38 GLU HA . 17668 1 326 . 1 1 33 33 GLU HB2 H 1 1.817 0.020 . 1 . . . . 38 GLU HB2 . 17668 1 327 . 1 1 33 33 GLU HG2 H 1 2.021 0.020 . 2 . . . . 38 GLU HG2 . 17668 1 328 . 1 1 33 33 GLU HG3 H 1 1.968 0.020 . 2 . . . . 38 GLU HG3 . 17668 1 329 . 1 1 33 33 GLU C C 13 173.651 0.3 . 1 . . . A 38 GLU C . 17668 1 330 . 1 1 33 33 GLU CA C 13 55.577 0.3 . 1 . . . A 38 GLU CA . 17668 1 331 . 1 1 33 33 GLU CB C 13 33.666 0.3 . 1 . . . A 38 GLU CB . 17668 1 332 . 1 1 33 33 GLU CG C 13 36.018 0.3 . 1 . . . A 38 GLU CG . 17668 1 333 . 1 1 33 33 GLU N N 15 114.258 0.3 . 1 . . . A 38 GLU N . 17668 1 334 . 1 1 34 34 ALA H H 1 9.014 0.020 . 1 . . . A 39 ALA H . 17668 1 335 . 1 1 34 34 ALA HA H 1 5.101 0.020 . 1 . . . A 39 ALA HA . 17668 1 336 . 1 1 34 34 ALA HB1 H 1 1.150 0.020 . 1 . . . . 39 ALA HB . 17668 1 337 . 1 1 34 34 ALA HB2 H 1 1.150 0.020 . 1 . . . . 39 ALA HB . 17668 1 338 . 1 1 34 34 ALA HB3 H 1 1.150 0.020 . 1 . . . . 39 ALA HB . 17668 1 339 . 1 1 34 34 ALA C C 13 175.033 0.3 . 1 . . . A 39 ALA C . 17668 1 340 . 1 1 34 34 ALA CA C 13 51.280 0.3 . 1 . . . A 39 ALA CA . 17668 1 341 . 1 1 34 34 ALA CB C 13 23.237 0.3 . 1 . . . A 39 ALA CB . 17668 1 342 . 1 1 34 34 ALA N N 15 125.742 0.3 . 1 . . . A 39 ALA N . 17668 1 343 . 1 1 35 35 SER H H 1 8.481 0.020 . 1 . . . A 40 SER H . 17668 1 344 . 1 1 35 35 SER HA H 1 4.855 0.020 . 1 . . . A 40 SER HA . 17668 1 345 . 1 1 35 35 SER HB2 H 1 3.522 0.020 . 1 . . . . 40 SER HB2 . 17668 1 346 . 1 1 35 35 SER C C 13 173.824 0.3 . 1 . . . A 40 SER C . 17668 1 347 . 1 1 35 35 SER CA C 13 56.254 0.3 . 1 . . . A 40 SER CA . 17668 1 348 . 1 1 35 35 SER CB C 13 65.255 0.3 . 1 . . . A 40 SER CB . 17668 1 349 . 1 1 35 35 SER N N 15 113.711 0.3 . 1 . . . A 40 SER N . 17668 1 350 . 1 1 36 36 VAL H H 1 10.164 0.020 . 1 . . . A 41 VAL H . 17668 1 351 . 1 1 36 36 VAL HB H 1 1.777 0.020 . 1 . . . A 41 VAL HB . 17668 1 352 . 1 1 36 36 VAL HG11 H 1 0.715 0.020 . 1 . . . . 41 VAL HG1 . 17668 1 353 . 1 1 36 36 VAL HG12 H 1 0.715 0.020 . 1 . . . . 41 VAL HG1 . 17668 1 354 . 1 1 36 36 VAL HG13 H 1 0.715 0.020 . 1 . . . . 41 VAL HG1 . 17668 1 355 . 1 1 36 36 VAL HG21 H 1 0.497 0.020 . 1 . . . . 41 VAL HG2 . 17668 1 356 . 1 1 36 36 VAL HG22 H 1 0.497 0.020 . 1 . . . . 41 VAL HG2 . 17668 1 357 . 1 1 36 36 VAL HG23 H 1 0.497 0.020 . 1 . . . . 41 VAL HG2 . 17668 1 358 . 1 1 36 36 VAL C C 13 175.204 0.3 . 1 . . . A 41 VAL C . 17668 1 359 . 1 1 36 36 VAL CA C 13 60.265 0.3 . 1 . . . A 41 VAL CA . 17668 1 360 . 1 1 36 36 VAL CB C 13 33.743 0.3 . 1 . . . A 41 VAL CB . 17668 1 361 . 1 1 36 36 VAL CG1 C 13 23.472 0.3 . 1 . . . A 41 VAL CG1 . 17668 1 362 . 1 1 36 36 VAL CG2 C 13 21.636 0.3 . 1 . . . A 41 VAL CG2 . 17668 1 363 . 1 1 36 36 VAL N N 15 129.570 0.3 . 1 . . . A 41 VAL N . 17668 1 364 . 1 1 37 37 THR H H 1 8.453 0.020 . 1 . . . A 42 THR H . 17668 1 365 . 1 1 37 37 THR HA H 1 4.392 0.020 . 1 . . . A 42 THR HA . 17668 1 366 . 1 1 37 37 THR HB H 1 4.011 0.020 . 1 . . . A 42 THR HB . 17668 1 367 . 1 1 37 37 THR HG21 H 1 1.178 0.020 . 1 . . . . 42 THR HG2 . 17668 1 368 . 1 1 37 37 THR HG22 H 1 1.178 0.020 . 1 . . . . 42 THR HG2 . 17668 1 369 . 1 1 37 37 THR HG23 H 1 1.178 0.020 . 1 . . . . 42 THR HG2 . 17668 1 370 . 1 1 37 37 THR C C 13 175.030 0.3 . 1 . . . A 42 THR C . 17668 1 371 . 1 1 37 37 THR CA C 13 60.760 0.3 . 1 . . . A 42 THR CA . 17668 1 372 . 1 1 37 37 THR CB C 13 69.255 0.3 . 1 . . . A 42 THR CB . 17668 1 373 . 1 1 37 37 THR CG2 C 13 22.651 0.3 . 1 . . . A 42 THR CG2 . 17668 1 374 . 1 1 37 37 THR N N 15 123.008 0.3 . 1 . . . A 42 THR N . 17668 1 375 . 1 1 38 38 VAL H H 1 8.789 0.020 . 1 . . . A 43 VAL H . 17668 1 376 . 1 1 38 38 VAL HA H 1 3.302 0.020 . 1 . . . A 43 VAL HA . 17668 1 377 . 1 1 38 38 VAL HB H 1 1.831 0.020 . 1 . . . A 43 VAL HB . 17668 1 378 . 1 1 38 38 VAL HG11 H 1 0.823 0.020 . 1 . . . . 43 VAL HG1 . 17668 1 379 . 1 1 38 38 VAL HG12 H 1 0.823 0.020 . 1 . . . . 43 VAL HG1 . 17668 1 380 . 1 1 38 38 VAL HG13 H 1 0.823 0.020 . 1 . . . . 43 VAL HG1 . 17668 1 381 . 1 1 38 38 VAL HG21 H 1 0.688 0.020 . 1 . . . . 43 VAL HG2 . 17668 1 382 . 1 1 38 38 VAL HG22 H 1 0.688 0.020 . 1 . . . . 43 VAL HG2 . 17668 1 383 . 1 1 38 38 VAL HG23 H 1 0.688 0.020 . 1 . . . . 43 VAL HG2 . 17668 1 384 . 1 1 38 38 VAL C C 13 176.067 0.3 . 1 . . . A 43 VAL C . 17668 1 385 . 1 1 38 38 VAL CA C 13 63.268 0.3 . 1 . . . A 43 VAL CA . 17668 1 386 . 1 1 38 38 VAL CB C 13 32.227 0.3 . 1 . . . A 43 VAL CB . 17668 1 387 . 1 1 38 38 VAL CG1 C 13 23.081 0.3 . 1 . . . A 43 VAL CG1 . 17668 1 388 . 1 1 38 38 VAL CG2 C 13 20.732 0.3 . 1 . . . A 43 VAL CG2 . 17668 1 389 . 1 1 38 38 VAL N N 15 128.476 0.3 . 1 . . . A 43 VAL N . 17668 1 390 . 1 1 39 39 ALA H H 1 8.509 0.020 . 1 . . . A 44 ALA H . 17668 1 391 . 1 1 39 39 ALA HA H 1 3.984 0.020 . 1 . . . A 44 ALA HA . 17668 1 392 . 1 1 39 39 ALA HB1 H 1 1.287 0.020 . 1 . . . . 44 ALA HB . 17668 1 393 . 1 1 39 39 ALA HB2 H 1 1.287 0.020 . 1 . . . . 44 ALA HB . 17668 1 394 . 1 1 39 39 ALA HB3 H 1 1.287 0.020 . 1 . . . . 44 ALA HB . 17668 1 395 . 1 1 39 39 ALA C C 13 179.167 0.3 . 1 . . . A 44 ALA C . 17668 1 396 . 1 1 39 39 ALA CA C 13 55.225 0.3 . 1 . . . A 44 ALA CA . 17668 1 397 . 1 1 39 39 ALA CB C 13 18.995 0.3 . 1 . . . A 44 ALA CB . 17668 1 398 . 1 1 39 39 ALA N N 15 119.180 0.3 . 1 . . . A 44 ALA N . 17668 1 399 . 1 1 40 40 THR H H 1 6.713 0.020 . 1 . . . A 45 THR H . 17668 1 400 . 1 1 40 40 THR HA H 1 4.338 0.020 . 1 . . . A 45 THR HA . 17668 1 401 . 1 1 40 40 THR HB H 1 4.283 0.020 . 1 . . . A 45 THR HB . 17668 1 402 . 1 1 40 40 THR HG21 H 1 1.014 0.020 . 1 . . . . 45 THR HG2 . 17668 1 403 . 1 1 40 40 THR HG22 H 1 1.014 0.020 . 1 . . . . 45 THR HG2 . 17668 1 404 . 1 1 40 40 THR HG23 H 1 1.014 0.020 . 1 . . . . 45 THR HG2 . 17668 1 405 . 1 1 40 40 THR C C 13 176.237 0.3 . 1 . . . A 45 THR C . 17668 1 406 . 1 1 40 40 THR CA C 13 60.254 0.3 . 1 . . . A 45 THR CA . 17668 1 407 . 1 1 40 40 THR CB C 13 70.261 0.3 . 1 . . . A 45 THR CB . 17668 1 408 . 1 1 40 40 THR CG2 C 13 21.849 0.3 . 1 . . . A 45 THR CG2 . 17668 1 409 . 1 1 40 40 THR N N 15 135.586 0.3 . 1 . . . A 45 THR N . 17668 1 410 . 1 1 41 41 GLY H H 1 7.835 0.020 . 1 . . . A 46 GLY H . 17668 1 411 . 1 1 41 41 GLY HA2 H 1 4.021 0.020 . 2 . . . . 46 GLY HA2 . 17668 1 412 . 1 1 41 41 GLY HA3 H 1 3.304 0.020 . 2 . . . . 46 GLY HA3 . 17668 1 413 . 1 1 41 41 GLY C C 13 172.096 0.3 . 1 . . . A 46 GLY C . 17668 1 414 . 1 1 41 41 GLY CA C 13 46.225 0.3 . 1 . . . A 46 GLY CA . 17668 1 415 . 1 1 41 41 GLY N N 15 110.977 0.3 . 1 . . . A 46 GLY N . 17668 1 416 . 1 1 42 42 ARG H H 1 7.303 0.020 . 1 . . . A 47 ARG H . 17668 1 417 . 1 1 42 42 ARG HB2 H 1 1.641 0.020 . 2 . . . . 47 ARG HB2 . 17668 1 418 . 1 1 42 42 ARG HB3 H 1 1.559 0.020 . 2 . . . . 47 ARG HB3 . 17668 1 419 . 1 1 42 42 ARG HG2 H 1 1.368 0.020 . 1 . . . . 47 ARG HG2 . 17668 1 420 . 1 1 42 42 ARG HD2 H 1 3.003 0.020 . 1 . . . . 47 ARG HD2 . 17668 1 421 . 1 1 42 42 ARG C C 13 175.032 0.3 . 1 . . . A 47 ARG C . 17668 1 422 . 1 1 42 42 ARG CA C 13 56.250 0.3 . 1 . . . A 47 ARG CA . 17668 1 423 . 1 1 42 42 ARG CB C 13 31.739 0.3 . 1 . . . A 47 ARG CB . 17668 1 424 . 1 1 42 42 ARG CG C 13 27.165 0.3 . 1 . . . A 47 ARG CG . 17668 1 425 . 1 1 42 42 ARG CD C 13 43.320 0.3 . 1 . . . A 47 ARG CD . 17668 1 426 . 1 1 42 42 ARG N N 15 118.086 0.3 . 1 . . . A 47 ARG N . 17668 1 427 . 1 1 43 43 LEU H H 1 8.986 0.020 . 1 . . . A 48 LEU H . 17668 1 428 . 1 1 43 43 LEU HA H 1 5.019 0.020 . 1 . . . A 48 LEU HA . 17668 1 429 . 1 1 43 43 LEU HB2 H 1 1.504 0.020 . 2 . . . . 48 LEU HB2 . 17668 1 430 . 1 1 43 43 LEU HB3 H 1 1.096 0.020 . 2 . . . . 48 LEU HB3 . 17668 1 431 . 1 1 43 43 LEU HG H 1 1.178 0.020 . 1 . . . A 48 LEU HG . 17668 1 432 . 1 1 43 43 LEU HD11 H 1 0.497 0.020 . 1 . . . . 48 LEU HD1 . 17668 1 433 . 1 1 43 43 LEU HD12 H 1 0.497 0.020 . 1 . . . . 48 LEU HD1 . 17668 1 434 . 1 1 43 43 LEU HD13 H 1 0.497 0.020 . 1 . . . . 48 LEU HD1 . 17668 1 435 . 1 1 43 43 LEU HD21 H 1 0.524 0.020 . 1 . . . . 48 LEU HD2 . 17668 1 436 . 1 1 43 43 LEU HD22 H 1 0.524 0.020 . 1 . . . . 48 LEU HD2 . 17668 1 437 . 1 1 43 43 LEU HD23 H 1 0.524 0.020 . 1 . . . . 48 LEU HD2 . 17668 1 438 . 1 1 43 43 LEU C C 13 175.033 0.3 . 1 . . . A 48 LEU C . 17668 1 439 . 1 1 43 43 LEU CA C 13 53.250 0.3 . 1 . . . A 48 LEU CA . 17668 1 440 . 1 1 43 43 LEU CB C 13 45.081 0.3 . 1 . . . A 48 LEU CB . 17668 1 441 . 1 1 43 43 LEU CG C 13 27.756 0.3 . 1 . . . A 48 LEU CG . 17668 1 442 . 1 1 43 43 LEU CD1 C 13 27.485 0.3 . 1 . . . A 48 LEU CD1 . 17668 1 443 . 1 1 43 43 LEU CD2 C 13 24.491 0.3 . 1 . . . A 48 LEU CD2 . 17668 1 444 . 1 1 43 43 LEU N N 15 129.023 0.3 . 1 . . . A 48 LEU N . 17668 1 445 . 1 1 44 44 THR H H 1 9.154 0.020 . 1 . . . A 49 THR H . 17668 1 446 . 1 1 44 44 THR HA H 1 4.964 0.020 . 1 . . . A 49 THR HA . 17668 1 447 . 1 1 44 44 THR HB H 1 3.820 0.020 . 1 . . . A 49 THR HB . 17668 1 448 . 1 1 44 44 THR HG21 H 1 0.960 0.020 . 1 . . . . 49 THR HG2 . 17668 1 449 . 1 1 44 44 THR HG22 H 1 0.960 0.020 . 1 . . . . 49 THR HG2 . 17668 1 450 . 1 1 44 44 THR HG23 H 1 0.960 0.020 . 1 . . . . 49 THR HG2 . 17668 1 451 . 1 1 44 44 THR C C 13 173.475 0.3 . 1 . . . A 49 THR C . 17668 1 452 . 1 1 44 44 THR CA C 13 61.752 0.3 . 1 . . . A 49 THR CA . 17668 1 453 . 1 1 44 44 THR CB C 13 69.756 0.3 . 1 . . . A 49 THR CB . 17668 1 454 . 1 1 44 44 THR CG2 C 13 21.558 0.3 . 1 . . . A 49 THR CG2 . 17668 1 455 . 1 1 44 44 THR N N 15 123.008 0.3 . 1 . . . A 49 THR N . 17668 1 456 . 1 1 45 45 VAL H H 1 9.071 0.020 . 1 . . . A 50 VAL H . 17668 1 457 . 1 1 45 45 VAL HA H 1 5.182 0.020 . 1 . . . A 50 VAL HA . 17668 1 458 . 1 1 45 45 VAL HB H 1 1.749 0.020 . 1 . . . A 50 VAL HB . 17668 1 459 . 1 1 45 45 VAL HG11 H 1 0.933 0.020 . 1 . . . . 50 VAL HG1 . 17668 1 460 . 1 1 45 45 VAL HG12 H 1 0.933 0.020 . 1 . . . . 50 VAL HG1 . 17668 1 461 . 1 1 45 45 VAL HG13 H 1 0.933 0.020 . 1 . . . . 50 VAL HG1 . 17668 1 462 . 1 1 45 45 VAL HG21 H 1 0.905 0.020 . 1 . . . . 50 VAL HG2 . 17668 1 463 . 1 1 45 45 VAL HG22 H 1 0.905 0.020 . 1 . . . . 50 VAL HG2 . 17668 1 464 . 1 1 45 45 VAL HG23 H 1 0.905 0.020 . 1 . . . . 50 VAL HG2 . 17668 1 465 . 1 1 45 45 VAL C C 13 172.614 0.3 . 1 . . . A 50 VAL C . 17668 1 466 . 1 1 45 45 VAL CA C 13 58.762 0.3 . 1 . . . A 50 VAL CA . 17668 1 467 . 1 1 45 45 VAL CB C 13 35.452 0.3 . 1 . . . A 50 VAL CB . 17668 1 468 . 1 1 45 45 VAL CG1 C 13 22.193 0.3 . 1 . . . A 50 VAL CG1 . 17668 1 469 . 1 1 45 45 VAL CG2 C 13 19.559 0.3 . 1 . . . A 50 VAL CG2 . 17668 1 470 . 1 1 45 45 VAL N N 15 125.195 0.3 . 1 . . . A 50 VAL N . 17668 1 471 . 1 1 46 46 THR H H 1 8.930 0.020 . 1 . . . A 51 THR H . 17668 1 472 . 1 1 46 46 THR HA H 1 5.782 0.020 . 1 . . . A 51 THR HA . 17668 1 473 . 1 1 46 46 THR HB H 1 3.766 0.020 . 1 . . . A 51 THR HB . 17668 1 474 . 1 1 46 46 THR HG21 H 1 0.987 0.020 . 1 . . . . 51 THR HG2 . 17668 1 475 . 1 1 46 46 THR HG22 H 1 0.987 0.020 . 1 . . . . 51 THR HG2 . 17668 1 476 . 1 1 46 46 THR HG23 H 1 0.987 0.020 . 1 . . . . 51 THR HG2 . 17668 1 477 . 1 1 46 46 THR C C 13 174.684 0.3 . 1 . . . A 51 THR C . 17668 1 478 . 1 1 46 46 THR CA C 13 61.248 0.3 . 1 . . . A 51 THR CA . 17668 1 479 . 1 1 46 46 THR CB C 13 70.265 0.3 . 1 . . . A 51 THR CB . 17668 1 480 . 1 1 46 46 THR CG2 C 13 23.052 0.3 . 1 . . . A 51 THR CG2 . 17668 1 481 . 1 1 46 46 THR N N 15 124.648 0.3 . 1 . . . A 51 THR N . 17668 1 482 . 1 1 47 47 TYR H H 1 9.603 0.020 . 1 . . . A 52 TYR H . 17668 1 483 . 1 1 47 47 TYR HA H 1 5.291 0.020 . 1 . . . A 52 TYR HA . 17668 1 484 . 1 1 47 47 TYR HB2 H 1 2.621 0.020 . 2 . . . . 52 TYR HB2 . 17668 1 485 . 1 1 47 47 TYR HB3 H 1 2.539 0.020 . 2 . . . . 52 TYR HB3 . 17668 1 486 . 1 1 47 47 TYR C C 13 171.408 0.3 . 1 . . . A 52 TYR C . 17668 1 487 . 1 1 47 47 TYR CA C 13 55.245 0.3 . 1 . . . A 52 TYR CA . 17668 1 488 . 1 1 47 47 TYR CB C 13 41.754 0.3 . 1 . . . A 52 TYR CB . 17668 1 489 . 1 1 47 47 TYR N N 15 124.648 0.3 . 1 . . . A 52 TYR N . 17668 1 490 . 1 1 48 48 ASP H H 1 8.481 0.020 . 1 . . . A 53 ASP H . 17668 1 491 . 1 1 48 48 ASP HA H 1 4.965 0.020 . 1 . . . A 53 ASP HA . 17668 1 492 . 1 1 48 48 ASP HB2 H 1 2.921 0.020 . 2 . . . . 53 ASP HB2 . 17668 1 493 . 1 1 48 48 ASP HB3 H 1 2.431 0.020 . 2 . . . . 53 ASP HB3 . 17668 1 494 . 1 1 48 48 ASP CA C 13 50.009 0.3 . 1 . . . A 53 ASP CA . 17668 1 495 . 1 1 48 48 ASP CB C 13 41.558 0.3 . 1 . . . A 53 ASP CB . 17668 1 496 . 1 1 48 48 ASP N N 15 119.180 0.3 . 1 . . . A 53 ASP N . 17668 1 497 . 1 1 49 49 PRO HA H 1 5.373 0.020 . 1 . . . A 54 PRO HA . 17668 1 498 . 1 1 49 49 PRO HB2 H 1 2.212 0.020 . 1 . . . . 54 PRO HB2 . 17668 1 499 . 1 1 49 49 PRO HD2 H 1 4.065 0.020 . 2 . . . . 54 PRO HD2 . 17668 1 500 . 1 1 49 49 PRO HD3 H 1 3.901 0.020 . 2 . . . . 54 PRO HD3 . 17668 1 501 . 1 1 49 49 PRO C C 13 178.311 0.3 . 1 . . . A 54 PRO C . 17668 1 502 . 1 1 49 49 PRO CA C 13 63.263 0.3 . 1 . . . A 54 PRO CA . 17668 1 503 . 1 1 49 49 PRO CB C 13 32.243 0.3 . 1 . . . A 54 PRO CB . 17668 1 504 . 1 1 49 49 PRO CG C 13 27.184 0.3 . 1 . . . A 54 PRO CG . 17668 1 505 . 1 1 49 49 PRO CD C 13 51.520 0.3 . 1 . . . A 54 PRO CD . 17668 1 506 . 1 1 50 50 LYS H H 1 8.284 0.020 . 1 . . . A 55 LYS H . 17668 1 507 . 1 1 50 50 LYS HA H 1 4.120 0.020 . 1 . . . A 55 LYS HA . 17668 1 508 . 1 1 50 50 LYS HB2 H 1 1.886 0.020 . 1 . . . . 55 LYS HB2 . 17668 1 509 . 1 1 50 50 LYS HG2 H 1 1.423 0.020 . 2 . . . . 55 LYS HG2 . 17668 1 510 . 1 1 50 50 LYS HG3 H 1 1.314 0.020 . 2 . . . . 55 LYS HG3 . 17668 1 511 . 1 1 50 50 LYS HD2 H 1 1.614 0.020 . 1 . . . . 55 LYS HD2 . 17668 1 512 . 1 1 50 50 LYS HE2 H 1 2.895 0.020 . 1 . . . . 55 LYS HE2 . 17668 1 513 . 1 1 50 50 LYS C C 13 177.802 0.3 . 1 . . . A 55 LYS C . 17668 1 514 . 1 1 50 50 LYS CA C 13 57.726 0.3 . 1 . . . A 55 LYS CA . 17668 1 515 . 1 1 50 50 LYS CB C 13 31.865 0.3 . 1 . . . A 55 LYS CB . 17668 1 516 . 1 1 50 50 LYS CG C 13 25.428 0.3 . 1 . . . A 55 LYS CG . 17668 1 517 . 1 1 50 50 LYS CD C 13 28.935 0.3 . 1 . . . A 55 LYS CD . 17668 1 518 . 1 1 50 50 LYS CE C 13 42.142 0.3 . 1 . . . A 55 LYS CE . 17668 1 519 . 1 1 50 50 LYS N N 15 116.992 0.3 . 1 . . . A 55 LYS N . 17668 1 520 . 1 1 51 51 GLN H H 1 7.864 0.020 . 1 . . . A 56 GLN H . 17668 1 521 . 1 1 51 51 GLN HA H 1 4.311 0.020 . 1 . . . A 56 GLN HA . 17668 1 522 . 1 1 51 51 GLN HB2 H 1 2.022 0.020 . 2 . . . . 56 GLN HB2 . 17668 1 523 . 1 1 51 51 GLN HB3 H 1 1.859 0.020 . 2 . . . . 56 GLN HB3 . 17668 1 524 . 1 1 51 51 GLN HG2 H 1 2.186 0.020 . 1 . . . . 56 GLN HG2 . 17668 1 525 . 1 1 51 51 GLN C C 13 175.031 0.3 . 1 . . . A 56 GLN C . 17668 1 526 . 1 1 51 51 GLN CA C 13 56.756 0.3 . 1 . . . A 56 GLN CA . 17668 1 527 . 1 1 51 51 GLN CB C 13 33.752 0.3 . 1 . . . A 56 GLN CB . 17668 1 528 . 1 1 51 51 GLN CG C 13 34.522 0.3 . 1 . . . A 56 GLN CG . 17668 1 529 . 1 1 51 51 GLN N N 15 115.352 0.3 . 1 . . . A 56 GLN N . 17668 1 530 . 1 1 52 52 VAL H H 1 8.172 0.020 . 1 . . . A 57 VAL H . 17668 1 531 . 1 1 52 52 VAL HA H 1 4.393 0.020 . 1 . . . A 57 VAL HA . 17668 1 532 . 1 1 52 52 VAL HB H 1 2.240 0.020 . 1 . . . A 57 VAL HB . 17668 1 533 . 1 1 52 52 VAL HG11 H 1 0.878 0.020 . 1 . . . . 57 VAL HG1 . 17668 1 534 . 1 1 52 52 VAL HG12 H 1 0.878 0.020 . 1 . . . . 57 VAL HG1 . 17668 1 535 . 1 1 52 52 VAL HG13 H 1 0.878 0.020 . 1 . . . . 57 VAL HG1 . 17668 1 536 . 1 1 52 52 VAL HG21 H 1 0.633 0.020 . 1 . . . . 57 VAL HG2 . 17668 1 537 . 1 1 52 52 VAL HG22 H 1 0.633 0.020 . 1 . . . . 57 VAL HG2 . 17668 1 538 . 1 1 52 52 VAL HG23 H 1 0.633 0.020 . 1 . . . . 57 VAL HG2 . 17668 1 539 . 1 1 52 52 VAL C C 13 170.718 0.3 . 1 . . . A 57 VAL C . 17668 1 540 . 1 1 52 52 VAL CA C 13 59.772 0.3 . 1 . . . A 57 VAL CA . 17668 1 541 . 1 1 52 52 VAL CB C 13 34.228 0.3 . 1 . . . A 57 VAL CB . 17668 1 542 . 1 1 52 52 VAL CG1 C 13 22.287 0.3 . 1 . . . A 57 VAL CG1 . 17668 1 543 . 1 1 52 52 VAL CG2 C 13 20.461 0.3 . 1 . . . A 57 VAL CG2 . 17668 1 544 . 1 1 52 52 VAL N N 15 120.273 0.3 . 1 . . . A 57 VAL N . 17668 1 545 . 1 1 53 53 SER H H 1 7.611 0.020 . 1 . . . A 58 SER H . 17668 1 546 . 1 1 53 53 SER HB2 H 1 4.147 0.020 . 2 . . . . 58 SER HB2 . 17668 1 547 . 1 1 53 53 SER HB3 H 1 3.794 0.020 . 2 . . . . 58 SER HB3 . 17668 1 548 . 1 1 53 53 SER C C 13 175.377 0.3 . 1 . . . A 58 SER C . 17668 1 549 . 1 1 53 53 SER CA C 13 55.251 0.3 . 1 . . . A 58 SER CA . 17668 1 550 . 1 1 53 53 SER CB C 13 66.750 0.3 . 1 . . . A 58 SER CB . 17668 1 551 . 1 1 53 53 SER N N 15 116.992 0.3 . 1 . . . A 58 SER N . 17668 1 552 . 1 1 54 54 GLU H H 1 8.930 0.020 . 1 . . . A 59 GLU H . 17668 1 553 . 1 1 54 54 GLU HA H 1 3.358 0.020 . 1 . . . A 59 GLU HA . 17668 1 554 . 1 1 54 54 GLU HB2 H 1 2.131 0.020 . 2 . . . . 59 GLU HB2 . 17668 1 555 . 1 1 54 54 GLU HB3 H 1 1.858 0.020 . 2 . . . . 59 GLU HB3 . 17668 1 556 . 1 1 54 54 GLU HG2 H 1 2.458 0.020 . 2 . . . . 59 GLU HG2 . 17668 1 557 . 1 1 54 54 GLU HG3 H 1 1.832 0.020 . 2 . . . . 59 GLU HG3 . 17668 1 558 . 1 1 54 54 GLU C C 13 178.308 0.3 . 1 . . . A 59 GLU C . 17668 1 559 . 1 1 54 54 GLU CA C 13 59.743 0.3 . 1 . . . A 59 GLU CA . 17668 1 560 . 1 1 54 54 GLU CB C 13 29.240 0.3 . 1 . . . A 59 GLU CB . 17668 1 561 . 1 1 54 54 GLU CG C 13 37.139 0.3 . 1 . . . A 59 GLU CG . 17668 1 562 . 1 1 54 54 GLU N N 15 120.820 0.3 . 1 . . . A 59 GLU N . 17668 1 563 . 1 1 55 55 ILE H H 1 7.583 0.020 . 1 . . . A 60 ILE H . 17668 1 564 . 1 1 55 55 ILE HA H 1 3.738 0.020 . 1 . . . A 60 ILE HA . 17668 1 565 . 1 1 55 55 ILE HB H 1 1.641 0.020 . 1 . . . A 60 ILE HB . 17668 1 566 . 1 1 55 55 ILE HG12 H 1 1.408 0.020 . 2 . . . . 60 ILE HG12 . 17668 1 567 . 1 1 55 55 ILE HG13 H 1 1.150 0.020 . 2 . . . . 60 ILE HG13 . 17668 1 568 . 1 1 55 55 ILE HG21 H 1 0.742 0.020 . 1 . . . . 60 ILE HG2 . 17668 1 569 . 1 1 55 55 ILE HG22 H 1 0.742 0.020 . 1 . . . . 60 ILE HG2 . 17668 1 570 . 1 1 55 55 ILE HG23 H 1 0.742 0.020 . 1 . . . . 60 ILE HG2 . 17668 1 571 . 1 1 55 55 ILE HD11 H 1 0.742 0.020 . 1 . . . . 60 ILE HD1 . 17668 1 572 . 1 1 55 55 ILE HD12 H 1 0.742 0.020 . 1 . . . . 60 ILE HD1 . 17668 1 573 . 1 1 55 55 ILE HD13 H 1 0.742 0.020 . 1 . . . . 60 ILE HD1 . 17668 1 574 . 1 1 55 55 ILE C C 13 177.448 0.3 . 1 . . . A 60 ILE C . 17668 1 575 . 1 1 55 55 ILE CA C 13 63.749 0.3 . 1 . . . A 60 ILE CA . 17668 1 576 . 1 1 55 55 ILE CB C 13 37.515 0.3 . 1 . . . A 60 ILE CB . 17668 1 577 . 1 1 55 55 ILE CG1 C 13 28.943 0.3 . 1 . . . A 60 ILE CG1 . 17668 1 578 . 1 1 55 55 ILE CG2 C 13 17.508 0.3 . 1 . . . A 60 ILE CG2 . 17668 1 579 . 1 1 55 55 ILE CD1 C 13 12.509 0.3 . 1 . . . A 60 ILE CD1 . 17668 1 580 . 1 1 55 55 ILE N N 15 118.086 0.3 . 1 . . . A 60 ILE N . 17668 1 581 . 1 1 56 56 THR H H 1 7.471 0.020 . 1 . . . A 61 THR H . 17668 1 582 . 1 1 56 56 THR HA H 1 3.766 0.020 . 1 . . . A 61 THR HA . 17668 1 583 . 1 1 56 56 THR HB H 1 4.039 0.020 . 1 . . . A 61 THR HB . 17668 1 584 . 1 1 56 56 THR HG21 H 1 1.122 0.020 . 1 . . . . 61 THR HG2 . 17668 1 585 . 1 1 56 56 THR HG22 H 1 1.122 0.020 . 1 . . . . 61 THR HG2 . 17668 1 586 . 1 1 56 56 THR HG23 H 1 1.122 0.020 . 1 . . . . 61 THR HG2 . 17668 1 587 . 1 1 56 56 THR C C 13 177.104 0.3 . 1 . . . A 61 THR C . 17668 1 588 . 1 1 56 56 THR CA C 13 66.264 0.3 . 1 . . . A 61 THR CA . 17668 1 589 . 1 1 56 56 THR CB C 13 68.245 0.3 . 1 . . . A 61 THR CB . 17668 1 590 . 1 1 56 56 THR CG2 C 13 22.859 0.3 . 1 . . . A 61 THR CG2 . 17668 1 591 . 1 1 56 56 THR N N 15 119.727 0.3 . 1 . . . A 61 THR N . 17668 1 592 . 1 1 57 57 ILE H H 1 7.259 0.020 . 1 . . . A 62 ILE H . 17668 1 593 . 1 1 57 57 ILE HA H 1 3.031 0.020 . 1 . . . A 62 ILE HA . 17668 1 594 . 1 1 57 57 ILE HB H 1 1.559 0.020 . 1 . . . A 62 ILE HB . 17668 1 595 . 1 1 57 57 ILE HG12 H 1 1.259 0.020 . 2 . . . . 62 ILE HG12 . 17668 1 596 . 1 1 57 57 ILE HG13 H 1 0.278 0.020 . 2 . . . . 62 ILE HG13 . 17668 1 597 . 1 1 57 57 ILE HG21 H 1 0.524 0.020 . 1 . . . . 62 ILE HG2 . 17668 1 598 . 1 1 57 57 ILE HG22 H 1 0.524 0.020 . 1 . . . . 62 ILE HG2 . 17668 1 599 . 1 1 57 57 ILE HG23 H 1 0.524 0.020 . 1 . . . . 62 ILE HG2 . 17668 1 600 . 1 1 57 57 ILE HD11 H 1 -0.212 0.020 . 1 . . . . 62 ILE HD1 . 17668 1 601 . 1 1 57 57 ILE HD12 H 1 -0.212 0.020 . 1 . . . . 62 ILE HD1 . 17668 1 602 . 1 1 57 57 ILE HD13 H 1 -0.212 0.020 . 1 . . . . 62 ILE HD1 . 17668 1 603 . 1 1 57 57 ILE C C 13 176.756 0.3 . 1 . . . A 62 ILE C . 17668 1 604 . 1 1 57 57 ILE CA C 13 65.760 0.3 . 1 . . . A 62 ILE CA . 17668 1 605 . 1 1 57 57 ILE CB C 13 38.251 0.3 . 1 . . . A 62 ILE CB . 17668 1 606 . 1 1 57 57 ILE CG1 C 13 29.537 0.3 . 1 . . . A 62 ILE CG1 . 17668 1 607 . 1 1 57 57 ILE CG2 C 13 16.631 0.3 . 1 . . . A 62 ILE CG2 . 17668 1 608 . 1 1 57 57 ILE CD1 C 13 12.520 0.3 . 1 . . . A 62 ILE CD1 . 17668 1 609 . 1 1 57 57 ILE N N 15 121.367 0.3 . 1 . . . A 62 ILE N . 17668 1 610 . 1 1 58 58 GLN H H 1 7.976 0.020 . 1 . . . A 63 GLN H . 17668 1 611 . 1 1 58 58 GLN HA H 1 3.602 0.020 . 1 . . . A 63 GLN HA . 17668 1 612 . 1 1 58 58 GLN HB2 H 1 2.159 0.020 . 2 . . . . 63 GLN HB2 . 17668 1 613 . 1 1 58 58 GLN HB3 H 1 1.942 0.020 . 2 . . . . 63 GLN HB3 . 17668 1 614 . 1 1 58 58 GLN HG2 H 1 2.485 0.020 . 1 . . . . 63 GLN HG2 . 17668 1 615 . 1 1 58 58 GLN C C 13 179.172 0.3 . 1 . . . A 63 GLN C . 17668 1 616 . 1 1 58 58 GLN CA C 13 59.755 0.3 . 1 . . . A 63 GLN CA . 17668 1 617 . 1 1 58 58 GLN CB C 13 27.734 0.3 . 1 . . . A 63 GLN CB . 17668 1 618 . 1 1 58 58 GLN CG C 13 34.225 0.3 . 1 . . . A 63 GLN CG . 17668 1 619 . 1 1 58 58 GLN N N 15 117.539 0.3 . 1 . . . A 63 GLN N . 17668 1 620 . 1 1 59 59 GLU H H 1 8.622 0.020 . 1 . . . A 64 GLU H . 17668 1 621 . 1 1 59 59 GLU HA H 1 3.874 0.020 . 1 . . . A 64 GLU HA . 17668 1 622 . 1 1 59 59 GLU HB2 H 1 2.077 0.020 . 2 . . . . 64 GLU HB2 . 17668 1 623 . 1 1 59 59 GLU HB3 H 1 1.886 0.020 . 2 . . . . 64 GLU HB3 . 17668 1 624 . 1 1 59 59 GLU HG2 H 1 2.458 0.020 . 2 . . . . 64 GLU HG2 . 17668 1 625 . 1 1 59 59 GLU HG3 H 1 2.077 0.020 . 2 . . . . 64 GLU HG3 . 17668 1 626 . 1 1 59 59 GLU C C 13 179.866 0.3 . 1 . . . A 64 GLU C . 17668 1 627 . 1 1 59 59 GLU CA C 13 59.259 0.3 . 1 . . . A 64 GLU CA . 17668 1 628 . 1 1 59 59 GLU CB C 13 29.700 0.3 . 1 . . . A 64 GLU CB . 17668 1 629 . 1 1 59 59 GLU CG C 13 36.868 0.3 . 1 . . . A 64 GLU CG . 17668 1 630 . 1 1 59 59 GLU N N 15 119.180 0.3 . 1 . . . A 64 GLU N . 17668 1 631 . 1 1 60 60 ARG H H 1 7.891 0.020 . 1 . . . A 65 ARG H . 17668 1 632 . 1 1 60 60 ARG HA H 1 4.093 0.020 . 1 . . . A 65 ARG HA . 17668 1 633 . 1 1 60 60 ARG HB2 H 1 1.805 0.020 . 1 . . . . 65 ARG HB2 . 17668 1 634 . 1 1 60 60 ARG HG2 H 1 1.614 0.020 . 2 . . . . 65 ARG HG2 . 17668 1 635 . 1 1 60 60 ARG HG3 H 1 1.341 0.020 . 2 . . . . 65 ARG HG3 . 17668 1 636 . 1 1 60 60 ARG HD2 H 1 3.194 0.020 . 2 . . . . 65 ARG HD2 . 17668 1 637 . 1 1 60 60 ARG HD3 H 1 3.058 0.020 . 2 . . . . 65 ARG HD3 . 17668 1 638 . 1 1 60 60 ARG C C 13 178.310 0.3 . 1 . . . A 65 ARG C . 17668 1 639 . 1 1 60 60 ARG CA C 13 57.256 0.3 . 1 . . . A 65 ARG CA . 17668 1 640 . 1 1 60 60 ARG CB C 13 28.748 0.3 . 1 . . . A 65 ARG CB . 17668 1 641 . 1 1 60 60 ARG CG C 13 26.889 0.3 . 1 . . . A 65 ARG CG . 17668 1 642 . 1 1 60 60 ARG CD C 13 42.415 0.3 . 1 . . . A 65 ARG CD . 17668 1 643 . 1 1 60 60 ARG N N 15 119.727 0.3 . 1 . . . A 65 ARG N . 17668 1 644 . 1 1 61 61 ILE H H 1 7.443 0.020 . 1 . . . A 66 ILE H . 17668 1 645 . 1 1 61 61 ILE HA H 1 3.547 0.020 . 1 . . . A 66 ILE HA . 17668 1 646 . 1 1 61 61 ILE HB H 1 1.886 0.020 . 1 . . . A 66 ILE HB . 17668 1 647 . 1 1 61 61 ILE HG12 H 1 0.905 0.020 . 2 . . . . 66 ILE HG12 . 17668 1 648 . 1 1 61 61 ILE HG13 H 1 1.641 0.020 . 2 . . . . 66 ILE HG13 . 17668 1 649 . 1 1 61 61 ILE HG21 H 1 0.741 0.020 . 1 . . . . 66 ILE HG2 . 17668 1 650 . 1 1 61 61 ILE HG22 H 1 0.741 0.020 . 1 . . . . 66 ILE HG2 . 17668 1 651 . 1 1 61 61 ILE HG23 H 1 0.741 0.020 . 1 . . . . 66 ILE HG2 . 17668 1 652 . 1 1 61 61 ILE HD11 H 1 0.605 0.020 . 1 . . . . 66 ILE HD1 . 17668 1 653 . 1 1 61 61 ILE HD12 H 1 0.605 0.020 . 1 . . . . 66 ILE HD1 . 17668 1 654 . 1 1 61 61 ILE HD13 H 1 0.605 0.020 . 1 . . . . 66 ILE HD1 . 17668 1 655 . 1 1 61 61 ILE C C 13 178.311 0.3 . 1 . . . A 66 ILE C . 17668 1 656 . 1 1 61 61 ILE CA C 13 64.745 0.3 . 1 . . . A 66 ILE CA . 17668 1 657 . 1 1 61 61 ILE CB C 13 37.681 0.3 . 1 . . . A 66 ILE CB . 17668 1 658 . 1 1 61 61 ILE CG1 C 13 29.239 0.3 . 1 . . . A 66 ILE CG1 . 17668 1 659 . 1 1 61 61 ILE CG2 C 13 18.675 0.3 . 1 . . . A 66 ILE CG2 . 17668 1 660 . 1 1 61 61 ILE CD1 C 13 14.283 0.3 . 1 . . . A 66 ILE CD1 . 17668 1 661 . 1 1 61 61 ILE N N 15 118.086 0.3 . 1 . . . A 66 ILE N . 17668 1 662 . 1 1 62 62 ALA H H 1 8.116 0.020 . 1 . . . A 67 ALA H . 17668 1 663 . 1 1 62 62 ALA HA H 1 4.529 0.020 . 1 . . . A 67 ALA HA . 17668 1 664 . 1 1 62 62 ALA HB1 H 1 1.368 0.020 . 1 . . . . 67 ALA HB . 17668 1 665 . 1 1 62 62 ALA HB2 H 1 1.368 0.020 . 1 . . . . 67 ALA HB . 17668 1 666 . 1 1 62 62 ALA HB3 H 1 1.368 0.020 . 1 . . . . 67 ALA HB . 17668 1 667 . 1 1 62 62 ALA C C 13 182.626 0.3 . 1 . . . A 67 ALA C . 17668 1 668 . 1 1 62 62 ALA CA C 13 54.250 0.3 . 1 . . . A 67 ALA CA . 17668 1 669 . 1 1 62 62 ALA CB C 13 17.735 0.3 . 1 . . . A 67 ALA CB . 17668 1 670 . 1 1 62 62 ALA N N 15 121.914 0.3 . 1 . . . A 67 ALA N . 17668 1 671 . 1 1 63 63 ALA H H 1 7.948 0.020 . 1 . . . A 68 ALA H . 17668 1 672 . 1 1 63 63 ALA HA H 1 4.012 0.020 . 1 . . . A 68 ALA HA . 17668 1 673 . 1 1 63 63 ALA HB1 H 1 1.422 0.020 . 1 . . . . 68 ALA HB . 17668 1 674 . 1 1 63 63 ALA HB2 H 1 1.422 0.020 . 1 . . . . 68 ALA HB . 17668 1 675 . 1 1 63 63 ALA HB3 H 1 1.422 0.020 . 1 . . . . 68 ALA HB . 17668 1 676 . 1 1 63 63 ALA C C 13 179.690 0.3 . 1 . . . A 68 ALA C . 17668 1 677 . 1 1 63 63 ALA CA C 13 54.259 0.3 . 1 . . . A 68 ALA CA . 17668 1 678 . 1 1 63 63 ALA CB C 13 18.221 0.3 . 1 . . . A 68 ALA CB . 17668 1 679 . 1 1 63 63 ALA N N 15 121.367 0.3 . 1 . . . A 68 ALA N . 17668 1 680 . 1 1 64 64 LEU H H 1 7.247 0.020 . 1 . . . A 69 LEU H . 17668 1 681 . 1 1 64 64 LEU HA H 1 4.147 0.020 . 1 . . . A 69 LEU HA . 17668 1 682 . 1 1 64 64 LEU HB2 H 1 1.466 0.020 . 1 . . . . 69 LEU HB2 . 17668 1 683 . 1 1 64 64 LEU HG H 1 1.450 0.020 . 1 . . . A 69 LEU HG . 17668 1 684 . 1 1 64 64 LEU HD11 H 1 0.769 0.020 . 1 . . . . 69 LEU HD1 . 17668 1 685 . 1 1 64 64 LEU HD12 H 1 0.769 0.020 . 1 . . . . 69 LEU HD1 . 17668 1 686 . 1 1 64 64 LEU HD13 H 1 0.769 0.020 . 1 . . . . 69 LEU HD1 . 17668 1 687 . 1 1 64 64 LEU HD21 H 1 0.715 0.020 . 1 . . . . 69 LEU HD2 . 17668 1 688 . 1 1 64 64 LEU HD22 H 1 0.715 0.020 . 1 . . . . 69 LEU HD2 . 17668 1 689 . 1 1 64 64 LEU HD23 H 1 0.715 0.020 . 1 . . . . 69 LEU HD2 . 17668 1 690 . 1 1 64 64 LEU C C 13 176.931 0.3 . 1 . . . A 69 LEU C . 17668 1 691 . 1 1 64 64 LEU CA C 13 55.245 0.3 . 1 . . . A 69 LEU CA . 17668 1 692 . 1 1 64 64 LEU CB C 13 43.241 0.3 . 1 . . . A 69 LEU CB . 17668 1 693 . 1 1 64 64 LEU CG C 13 27.167 0.3 . 1 . . . A 69 LEU CG . 17668 1 694 . 1 1 64 64 LEU CD1 C 13 25.128 0.3 . 1 . . . A 69 LEU CD1 . 17668 1 695 . 1 1 64 64 LEU CD2 C 13 23.660 0.3 . 1 . . . A 69 LEU CD2 . 17668 1 696 . 1 1 64 64 LEU N N 15 116.445 0.3 . 1 . . . A 69 LEU N . 17668 1 697 . 1 1 65 65 GLY H H 1 7.668 0.020 . 1 . . . A 70 GLY H . 17668 1 698 . 1 1 65 65 GLY HA2 H 1 3.849 0.020 . 2 . . . . 70 GLY HA2 . 17668 1 699 . 1 1 65 65 GLY HA3 H 1 3.412 0.020 . 2 . . . . 70 GLY HA3 . 17668 1 700 . 1 1 65 65 GLY C C 13 173.651 0.3 . 1 . . . A 70 GLY C . 17668 1 701 . 1 1 65 65 GLY CA C 13 44.472 0.3 . 1 . . . A 70 GLY CA . 17668 1 702 . 1 1 65 65 GLY N N 15 103.867 0.3 . 1 . . . A 70 GLY N . 17668 1 703 . 1 1 66 66 TYR H H 1 6.798 0.020 . 1 . . . A 71 TYR H . 17668 1 704 . 1 1 66 66 TYR HB2 H 1 3.385 0.020 . 2 . . . . 71 TYR HB2 . 17668 1 705 . 1 1 66 66 TYR HB3 H 1 2.213 0.020 . 2 . . . . 71 TYR HB3 . 17668 1 706 . 1 1 66 66 TYR C C 13 174.513 0.3 . 1 . . . A 71 TYR C . 17668 1 707 . 1 1 66 66 TYR CA C 13 57.020 0.3 . 1 . . . A 71 TYR CA . 17668 1 708 . 1 1 66 66 TYR CB C 13 39.502 0.3 . 1 . . . A 71 TYR CB . 17668 1 709 . 1 1 66 66 TYR N N 15 119.180 0.3 . 1 . . . A 71 TYR N . 17668 1 710 . 1 1 67 67 THR H H 1 8.144 0.020 . 1 . . . A 72 THR H . 17668 1 711 . 1 1 67 67 THR HB H 1 4.011 0.020 . 1 . . . A 72 THR HB . 17668 1 712 . 1 1 67 67 THR HG21 H 1 0.986 0.020 . 1 . . . . 72 THR HG2 . 17668 1 713 . 1 1 67 67 THR HG22 H 1 0.986 0.020 . 1 . . . . 72 THR HG2 . 17668 1 714 . 1 1 67 67 THR HG23 H 1 0.986 0.020 . 1 . . . . 72 THR HG2 . 17668 1 715 . 1 1 67 67 THR C C 13 173.998 0.3 . 1 . . . A 72 THR C . 17668 1 716 . 1 1 67 67 THR CA C 13 60.249 0.3 . 1 . . . A 72 THR CA . 17668 1 717 . 1 1 67 67 THR CB C 13 71.254 0.3 . 1 . . . A 72 THR CB . 17668 1 718 . 1 1 67 67 THR CG2 C 13 21.673 0.3 . 1 . . . A 72 THR CG2 . 17668 1 719 . 1 1 67 67 THR N N 15 109.883 0.3 . 1 . . . A 72 THR N . 17668 1 720 . 1 1 68 68 LEU H H 1 8.397 0.020 . 1 . . . A 73 LEU H . 17668 1 721 . 1 1 68 68 LEU HA H 1 5.046 0.020 . 1 . . . A 73 LEU HA . 17668 1 722 . 1 1 68 68 LEU HB2 H 1 1.504 0.020 . 1 . . . . 73 LEU HB2 . 17668 1 723 . 1 1 68 68 LEU HG H 1 1.559 0.020 . 1 . . . A 73 LEU HG . 17668 1 724 . 1 1 68 68 LEU HD11 H 1 0.797 0.020 . 1 . . . . 73 LEU HD1 . 17668 1 725 . 1 1 68 68 LEU HD12 H 1 0.797 0.020 . 1 . . . . 73 LEU HD1 . 17668 1 726 . 1 1 68 68 LEU HD13 H 1 0.797 0.020 . 1 . . . . 73 LEU HD1 . 17668 1 727 . 1 1 68 68 LEU HD21 H 1 0.796 0.020 . 1 . . . . 73 LEU HD2 . 17668 1 728 . 1 1 68 68 LEU HD22 H 1 0.796 0.020 . 1 . . . . 73 LEU HD2 . 17668 1 729 . 1 1 68 68 LEU HD23 H 1 0.796 0.020 . 1 . . . . 73 LEU HD2 . 17668 1 730 . 1 1 68 68 LEU C C 13 174.168 0.3 . 1 . . . A 73 LEU C . 17668 1 731 . 1 1 68 68 LEU CA C 13 53.252 0.3 . 1 . . . A 73 LEU CA . 17668 1 732 . 1 1 68 68 LEU CB C 13 43.743 0.3 . 1 . . . A 73 LEU CB . 17668 1 733 . 1 1 68 68 LEU CG C 13 27.495 0.3 . 1 . . . A 73 LEU CG . 17668 1 734 . 1 1 68 68 LEU CD1 C 13 25.719 0.3 . 1 . . . A 73 LEU CD1 . 17668 1 735 . 1 1 68 68 LEU CD2 C 13 24.839 0.3 . 1 . . . A 73 LEU CD2 . 17668 1 736 . 1 1 68 68 LEU N N 15 122.461 0.3 . 1 . . . A 73 LEU N . 17668 1 737 . 1 1 69 69 ALA H H 1 8.200 0.020 . 1 . . . A 74 ALA H . 17668 1 738 . 1 1 69 69 ALA HA H 1 4.338 0.020 . 1 . . . A 74 ALA HA . 17668 1 739 . 1 1 69 69 ALA HB1 H 1 1.205 0.020 . 1 . . . . 74 ALA HB . 17668 1 740 . 1 1 69 69 ALA HB2 H 1 1.205 0.020 . 1 . . . . 74 ALA HB . 17668 1 741 . 1 1 69 69 ALA HB3 H 1 1.205 0.020 . 1 . . . . 74 ALA HB . 17668 1 742 . 1 1 69 69 ALA C C 13 176.931 0.3 . 1 . . . A 74 ALA C . 17668 1 743 . 1 1 69 69 ALA CA C 13 55.254 0.3 . 1 . . . A 74 ALA CA . 17668 1 744 . 1 1 69 69 ALA CB C 13 18.225 0.3 . 1 . . . A 74 ALA CB . 17668 1 745 . 1 1 69 69 ALA N N 15 125.195 0.3 . 1 . . . A 74 ALA N . 17668 1 746 . 1 1 70 70 GLU H H 1 8.397 0.020 . 1 . . . A 75 GLU H . 17668 1 747 . 1 1 70 70 GLU HA H 1 4.474 0.020 . 1 . . . A 75 GLU HA . 17668 1 748 . 1 1 70 70 GLU HB2 H 1 1.914 0.020 . 2 . . . . 75 GLU HB2 . 17668 1 749 . 1 1 70 70 GLU HB3 H 1 1.805 0.020 . 2 . . . . 75 GLU HB3 . 17668 1 750 . 1 1 70 70 GLU HG2 H 1 2.187 0.020 . 2 . . . . 75 GLU HG2 . 17668 1 751 . 1 1 70 70 GLU HG3 H 1 1.831 0.020 . 2 . . . . 75 GLU HG3 . 17668 1 752 . 1 1 70 70 GLU CA C 13 54.458 0.3 . 1 . . . A 75 GLU CA . 17668 1 753 . 1 1 70 70 GLU CB C 13 29.591 0.3 . 1 . . . A 75 GLU CB . 17668 1 754 . 1 1 70 70 GLU CG C 13 36.273 0.3 . 1 . . . A 75 GLU CG . 17668 1 755 . 1 1 70 70 GLU N N 15 120.820 0.3 . 1 . . . A 75 GLU N . 17668 1 756 . 1 1 71 71 PRO HA H 1 4.311 0.020 . 1 . . . A 76 PRO HA . 17668 1 757 . 1 1 71 71 PRO HB2 H 1 2.104 0.020 . 1 . . . . 76 PRO HB2 . 17668 1 758 . 1 1 71 71 PRO HG2 H 1 1.940 0.020 . 2 . . . . 76 PRO HG2 . 17668 1 759 . 1 1 71 71 PRO HG3 H 1 1.804 0.020 . 2 . . . . 76 PRO HG3 . 17668 1 760 . 1 1 71 71 PRO HD2 H 1 3.766 0.020 . 2 . . . . 76 PRO HD2 . 17668 1 761 . 1 1 71 71 PRO HD3 H 1 3.603 0.020 . 2 . . . . 76 PRO HD3 . 17668 1 762 . 1 1 71 71 PRO CA C 13 63.260 0.3 . 1 . . . A 76 PRO CA . 17668 1 763 . 1 1 71 71 PRO CB C 13 31.744 0.3 . 1 . . . A 76 PRO CB . 17668 1 764 . 1 1 71 71 PRO CG C 13 27.483 0.3 . 1 . . . A 76 PRO CG . 17668 1 765 . 1 1 71 71 PRO CD C 13 50.939 0.3 . 1 . . . A 76 PRO CD . 17668 1 766 . 1 1 72 72 LYS HA H 1 4.158 0.020 . 1 . . . . 77 LYS HA . 17668 1 767 . 1 1 72 72 LYS HB2 H 1 1.695 0.020 . 2 . . . . 77 LYS HB2 . 17668 1 768 . 1 1 72 72 LYS HB3 H 1 1.614 0.020 . 2 . . . . 77 LYS HB3 . 17668 1 769 . 1 1 72 72 LYS HG2 H 1 1.314 0.020 . 1 . . . . 77 LYS HG2 . 17668 1 770 . 1 1 72 72 LYS HD2 H 1 1.532 0.020 . 1 . . . . 77 LYS HD2 . 17668 1 771 . 1 1 72 72 LYS HE2 H 1 2.867 0.020 . 1 . . . . 77 LYS HE2 . 17668 1 772 . 1 1 72 72 LYS C C 13 176.930 0.3 . 1 . . . . 77 LYS C . 17668 1 773 . 1 1 72 72 LYS CA C 13 56.246 0.3 . 1 . . . . 77 LYS CA . 17668 1 774 . 1 1 72 72 LYS CB C 13 30.616 0.3 . 1 . . . . 77 LYS CB . 17668 1 775 . 1 1 72 72 LYS CG C 13 24.837 0.3 . 1 . . . . 77 LYS CG . 17668 1 776 . 1 1 72 72 LYS CD C 13 29.331 0.3 . 1 . . . . 77 LYS CD . 17668 1 777 . 1 1 72 72 LYS CE C 13 42.144 0.3 . 1 . . . . 77 LYS CE . 17668 1 778 . 1 1 72 72 LYS N N 15 121.367 0.3 . 1 . . . . 77 LYS N . 17668 1 779 . 1 1 73 73 SER H H 1 8.285 0.020 . 1 . . . . 78 SER H . 17668 1 780 . 1 1 73 73 SER HB2 H 1 3.656 0.020 . 1 . . . . 78 SER HB2 . 17668 1 781 . 1 1 73 73 SER C C 13 174.857 0.3 . 1 . . . . 78 SER C . 17668 1 782 . 1 1 73 73 SER CA C 13 58.258 0.3 . 1 . . . . 78 SER CA . 17668 1 783 . 1 1 73 73 SER CB C 13 63.760 0.3 . 1 . . . . 78 SER CB . 17668 1 784 . 1 1 73 73 SER N N 15 116.445 0.3 . 1 . . . . 78 SER N . 17668 1 785 . 1 1 74 74 SER H H 1 8.313 0.020 . 1 . . . . 79 SER H . 17668 1 786 . 1 1 74 74 SER HB2 H 1 3.712 0.020 . 1 . . . . 79 SER HB2 . 17668 1 787 . 1 1 74 74 SER C C 13 174.515 0.3 . 1 . . . . 79 SER C . 17668 1 788 . 1 1 74 74 SER CA C 13 58.257 0.3 . 1 . . . . 79 SER CA . 17668 1 789 . 1 1 74 74 SER CB C 13 63.760 0.3 . 1 . . . . 79 SER CB . 17668 1 790 . 1 1 74 74 SER N N 15 118.086 0.3 . 1 . . . . 79 SER N . 17668 1 791 . 1 1 75 75 VAL H H 1 8.032 0.020 . 1 . . . . 80 VAL H . 17668 1 792 . 1 1 75 75 VAL HA H 1 4.093 0.020 . 1 . . . . 80 VAL HA . 17668 1 793 . 1 1 75 75 VAL HB H 1 1.941 0.020 . 1 . . . . 80 VAL HB . 17668 1 794 . 1 1 75 75 VAL HG21 H 1 0.796 0.020 . 1 . . . . 80 VAL HG2 . 17668 1 795 . 1 1 75 75 VAL HG22 H 1 0.796 0.020 . 1 . . . . 80 VAL HG2 . 17668 1 796 . 1 1 75 75 VAL HG23 H 1 0.796 0.020 . 1 . . . . 80 VAL HG2 . 17668 1 797 . 1 1 75 75 VAL C C 13 176.241 0.3 . 1 . . . . 80 VAL C . 17668 1 798 . 1 1 75 75 VAL CA C 13 62.251 0.3 . 1 . . . . 80 VAL CA . 17668 1 799 . 1 1 75 75 VAL CB C 13 32.753 0.3 . 1 . . . . 80 VAL CB . 17668 1 800 . 1 1 75 75 VAL CG1 C 13 21.031 0.3 . 1 . . . . 80 VAL CG1 . 17668 1 801 . 1 1 75 75 VAL CG2 C 13 20.438 0.3 . 1 . . . . 80 VAL CG2 . 17668 1 802 . 1 1 75 75 VAL N N 15 121.367 0.3 . 1 . . . . 80 VAL N . 17668 1 803 . 1 1 76 76 THR H H 1 8.172 0.020 . 1 . . . . 81 THR H . 17668 1 804 . 1 1 76 76 THR HA H 1 4.229 0.020 . 1 . . . . 81 THR HA . 17668 1 805 . 1 1 76 76 THR HB H 1 4.038 0.020 . 1 . . . . 81 THR HB . 17668 1 806 . 1 1 76 76 THR HG21 H 1 1.042 0.020 . 1 . . . . 81 THR HG2 . 17668 1 807 . 1 1 76 76 THR HG22 H 1 1.042 0.020 . 1 . . . . 81 THR HG2 . 17668 1 808 . 1 1 76 76 THR HG23 H 1 1.042 0.020 . 1 . . . . 81 THR HG2 . 17668 1 809 . 1 1 76 76 THR C C 13 176.589 0.3 . 1 . . . . 81 THR C . 17668 1 810 . 1 1 76 76 THR CA C 13 61.725 0.3 . 1 . . . . 81 THR CA . 17668 1 811 . 1 1 76 76 THR CB C 13 69.776 0.3 . 1 . . . . 81 THR CB . 17668 1 812 . 1 1 76 76 THR CG2 C 13 21.903 0.3 . 1 . . . . 81 THR CG2 . 17668 1 813 . 1 1 76 76 THR N N 15 118.633 0.3 . 1 . . . . 81 THR N . 17668 1 814 . 1 1 77 77 LEU H H 1 8.257 0.020 . 1 . . . . 82 LEU H . 17668 1 815 . 1 1 77 77 LEU HA H 1 4.256 0.020 . 1 . . . . 82 LEU HA . 17668 1 816 . 1 1 77 77 LEU HB2 H 1 1.463 0.020 . 1 . . . . 82 LEU HB2 . 17668 1 817 . 1 1 77 77 LEU HG H 1 1.475 0.020 . 1 . . . . 82 LEU HG . 17668 1 818 . 1 1 77 77 LEU HD11 H 1 0.795 0.020 . 1 . . . . 82 LEU HD1 . 17668 1 819 . 1 1 77 77 LEU HD12 H 1 0.795 0.020 . 1 . . . . 82 LEU HD1 . 17668 1 820 . 1 1 77 77 LEU HD13 H 1 0.795 0.020 . 1 . . . . 82 LEU HD1 . 17668 1 821 . 1 1 77 77 LEU HD21 H 1 0.742 0.020 . 1 . . . . 82 LEU HD2 . 17668 1 822 . 1 1 77 77 LEU HD22 H 1 0.742 0.020 . 1 . . . . 82 LEU HD2 . 17668 1 823 . 1 1 77 77 LEU HD23 H 1 0.742 0.020 . 1 . . . . 82 LEU HD2 . 17668 1 824 . 1 1 77 77 LEU C C 13 176.241 0.3 . 1 . . . . 82 LEU C . 17668 1 825 . 1 1 77 77 LEU CA C 13 55.247 0.3 . 1 . . . . 82 LEU CA . 17668 1 826 . 1 1 77 77 LEU CB C 13 42.701 0.3 . 1 . . . . 82 LEU CB . 17668 1 827 . 1 1 77 77 LEU CG C 13 26.948 0.3 . 1 . . . . 82 LEU CG . 17668 1 828 . 1 1 77 77 LEU CD1 C 13 24.823 0.3 . 1 . . . . 82 LEU CD1 . 17668 1 829 . 1 1 77 77 LEU CD2 C 13 23.592 0.3 . 1 . . . . 82 LEU CD2 . 17668 1 830 . 1 1 77 77 LEU N N 15 125.195 0.3 . 1 . . . . 82 LEU N . 17668 1 831 . 1 1 78 78 ASN H H 1 7.920 0.020 . 1 . . . . 83 ASN H . 17668 1 832 . 1 1 78 78 ASN HB2 H 1 2.649 0.020 . 2 . . . . 83 ASN HB2 . 17668 1 833 . 1 1 78 78 ASN HB3 H 1 2.540 0.020 . 2 . . . . 83 ASN HB3 . 17668 1 834 . 1 1 78 78 ASN C C 13 176.583 0.3 . 1 . . . . 83 ASN C . 17668 1 835 . 1 1 78 78 ASN CA C 13 54.753 0.3 . 1 . . . . 83 ASN CA . 17668 1 836 . 1 1 78 78 ASN CB C 13 41.230 0.3 . 1 . . . . 83 ASN CB . 17668 1 837 . 1 1 78 78 ASN N N 15 124.102 0.3 . 1 . . . . 83 ASN N . 17668 1 838 . 1 1 79 79 GLY H H 1 8.257 0.020 . 1 . . . . 84 GLY H . 17668 1 839 . 1 1 79 79 GLY HA2 H 1 3.739 0.020 . 1 . . . . 84 GLY HA2 . 17668 1 840 . 1 1 79 79 GLY C C 13 174.343 0.3 . 1 . . . . 84 GLY C . 17668 1 841 . 1 1 79 79 GLY CA C 13 45.625 0.3 . 1 . . . . 84 GLY CA . 17668 1 842 . 1 1 79 79 GLY N N 15 113.711 0.3 . 1 . . . . 84 GLY N . 17668 1 843 . 1 1 80 80 HIS H H 1 8.229 0.020 . 1 . . . . 85 HIS H . 17668 1 844 . 1 1 80 80 HIS CA C 13 56.246 0.3 . 1 . . . . 85 HIS CA . 17668 1 845 . 1 1 80 80 HIS CB C 13 30.241 0.3 . 1 . . . . 85 HIS CB . 17668 1 846 . 1 1 80 80 HIS N N 15 118.633 0.3 . 1 . . . . 85 HIS N . 17668 1 847 . 1 1 81 81 LYS HG2 H 1 1.232 0.020 . 1 . . . . 86 LYS HG2 . 17668 1 848 . 1 1 81 81 LYS C C 13 176.070 0.3 . 1 . . . . 86 LYS C . 17668 1 849 . 1 1 81 81 LYS CA C 13 56.242 0.3 . 1 . . . . 86 LYS CA . 17668 1 850 . 1 1 81 81 LYS CB C 13 32.710 0.3 . 1 . . . . 86 LYS CB . 17668 1 851 . 1 1 81 81 LYS CG C 13 24.720 0.3 . 1 . . . . 86 LYS CG . 17668 1 852 . 1 1 81 81 LYS CE C 13 42.145 0.3 . 1 . . . . 86 LYS CE . 17668 1 853 . 1 1 81 81 LYS N N 15 121.914 0.3 . 1 . . . . 86 LYS N . 17668 1 854 . 1 1 82 82 HIS H H 1 8.201 0.020 . 1 . . . . 87 HIS H . 17668 1 855 . 1 1 82 82 HIS N N 15 116.992 0.3 . 1 . . . . 87 HIS N . 17668 1 856 . 1 1 83 83 PRO HB2 H 1 1.668 0.020 . 1 . . . . 88 PRO HB2 . 17668 1 857 . 1 1 83 83 PRO HG2 H 1 1.832 0.020 . 1 . . . . 88 PRO HG2 . 17668 1 858 . 1 1 83 83 PRO HD2 H 1 3.330 0.020 . 1 . . . . 88 PRO HD2 . 17668 1 859 . 1 1 83 83 PRO C C 13 177.790 0.3 . 1 . . . . 88 PRO C . 17668 1 860 . 1 1 83 83 PRO CA C 13 66.239 0.3 . 1 . . . . 88 PRO CA . 17668 1 861 . 1 1 83 83 PRO CB C 13 31.719 0.3 . 1 . . . . 88 PRO CB . 17668 1 862 . 1 1 83 83 PRO CG C 13 27.169 0.3 . 1 . . . . 88 PRO CG . 17668 1 863 . 1 1 83 83 PRO CD C 13 50.653 0.3 . 1 . . . . 88 PRO CD . 17668 1 864 . 1 1 84 84 HIS H H 1 8.538 0.020 . 1 . . . . 89 HIS H . 17668 1 865 . 1 1 84 84 HIS C C 13 175.554 0.3 . 1 . . . . 89 HIS C . 17668 1 866 . 1 1 84 84 HIS CA C 13 56.236 0.3 . 1 . . . . 89 HIS CA . 17668 1 867 . 1 1 84 84 HIS CB C 13 30.257 0.3 . 1 . . . . 89 HIS CB . 17668 1 868 . 1 1 84 84 HIS N N 15 119.180 0.3 . 1 . . . . 89 HIS N . 17668 1 869 . 1 1 85 85 SER H H 1 8.144 0.020 . 1 . . . . 90 SER H . 17668 1 870 . 1 1 85 85 SER HB2 H 1 3.957 0.020 . 1 . . . . 90 SER HB2 . 17668 1 871 . 1 1 85 85 SER CA C 13 58.565 0.3 . 1 . . . . 90 SER CA . 17668 1 872 . 1 1 85 85 SER CB C 13 63.886 0.3 . 1 . . . . 90 SER CB . 17668 1 873 . 1 1 85 85 SER N N 15 116.445 0.3 . 1 . . . . 90 SER N . 17668 1 874 . 1 1 86 86 HIS C C 13 175.204 0.3 . 1 . . . . 91 HIS C . 17668 1 875 . 1 1 86 86 HIS CA C 13 56.242 0.3 . 1 . . . . 91 HIS CA . 17668 1 876 . 1 1 86 86 HIS CB C 13 30.235 0.3 . 1 . . . . 91 HIS CB . 17668 1 877 . 1 1 87 87 ARG H H 1 8.144 0.020 . 1 . . . . 92 ARG H . 17668 1 878 . 1 1 87 87 ARG HB2 H 1 1.913 0.020 . 1 . . . . 92 ARG HB2 . 17668 1 879 . 1 1 87 87 ARG C C 13 177.447 0.3 . 1 . . . . 92 ARG C . 17668 1 880 . 1 1 87 87 ARG CA C 13 56.257 0.3 . 1 . . . . 92 ARG CA . 17668 1 881 . 1 1 87 87 ARG CB C 13 30.241 0.3 . 1 . . . . 92 ARG CB . 17668 1 882 . 1 1 87 87 ARG CG C 13 27.772 0.3 . 1 . . . . 92 ARG CG . 17668 1 883 . 1 1 87 87 ARG N N 15 122.461 0.3 . 1 . . . . 92 ARG N . 17668 1 884 . 1 1 88 88 GLU H H 1 8.088 0.020 . 1 . . . . 93 GLU H . 17668 1 885 . 1 1 88 88 GLU HA H 1 4.202 0.020 . 1 . . . . 93 GLU HA . 17668 1 886 . 1 1 88 88 GLU CA C 13 56.224 0.3 . 1 . . . . 93 GLU CA . 17668 1 887 . 1 1 88 88 GLU CB C 13 30.723 0.3 . 1 . . . . 93 GLU CB . 17668 1 888 . 1 1 88 88 GLU N N 15 121.367 0.3 . 1 . . . . 93 GLU N . 17668 1 889 . 1 1 89 89 GLU HA H 1 4.147 0.020 . 1 . . . . 94 GLU HA . 17668 1 890 . 1 1 89 89 GLU HB2 H 1 1.912 0.020 . 2 . . . . 94 GLU HB2 . 17668 1 891 . 1 1 89 89 GLU HB3 H 1 1.777 0.020 . 2 . . . . 94 GLU HB3 . 17668 1 892 . 1 1 89 89 GLU HG2 H 1 1.967 0.020 . 2 . . . . 94 GLU HG2 . 17668 1 893 . 1 1 89 89 GLU HG3 H 1 1.914 0.020 . 2 . . . . 94 GLU HG3 . 17668 1 894 . 1 1 89 89 GLU C C 13 177.274 0.3 . 1 . . . . 94 GLU C . 17668 1 895 . 1 1 89 89 GLU CA C 13 56.702 0.3 . 1 . . . . 94 GLU CA . 17668 1 896 . 1 1 89 89 GLU CB C 13 30.252 0.3 . 1 . . . . 94 GLU CB . 17668 1 897 . 1 1 89 89 GLU CG C 13 36.274 0.3 . 1 . . . . 94 GLU CG . 17668 1 898 . 1 1 89 89 GLU N N 15 122.461 0.3 . 1 . . . . 94 GLU N . 17668 1 899 . 1 1 90 90 GLY H H 1 8.341 0.020 . 1 . . . . 95 GLY H . 17668 1 900 . 1 1 90 90 GLY C C 13 174.213 0.3 . 1 . . . . 95 GLY C . 17668 1 901 . 1 1 90 90 GLY CA C 13 45.276 0.3 . 1 . . . . 95 GLY CA . 17668 1 902 . 1 1 90 90 GLY N N 15 109.336 0.3 . 1 . . . . 95 GLY N . 17668 1 903 . 1 1 91 91 HIS H H 1 8.060 0.020 . 1 . . . . 96 HIS H . 17668 1 904 . 1 1 91 91 HIS C C 13 178.658 0.3 . 1 . . . . 96 HIS C . 17668 1 905 . 1 1 91 91 HIS N N 15 118.633 0.3 . 1 . . . . 96 HIS N . 17668 1 906 . 1 1 92 92 SER H H 1 8.116 0.020 . 1 . . . . 97 SER H . 17668 1 907 . 1 1 92 92 SER CA C 13 58.258 0.3 . 1 . . . . 97 SER CA . 17668 1 908 . 1 1 92 92 SER CB C 13 63.754 0.3 . 1 . . . . 97 SER CB . 17668 1 909 . 1 1 92 92 SER N N 15 115.812 0.3 . 1 . . . . 97 SER N . 17668 1 910 . 1 1 93 93 HIS N N 15 118.633 0.3 . 1 . . . . 98 HIS N . 17668 1 911 . 1 1 94 94 SER C C 13 179.517 0.3 . 1 . . . . 99 SER C . 17668 1 912 . 1 1 94 94 SER CA C 13 58.256 0.3 . 1 . . . . 99 SER CA . 17668 1 913 . 1 1 94 94 SER CB C 13 63.755 0.3 . 1 . . . . 99 SER CB . 17668 1 914 . 1 1 95 95 HIS H H 1 8.312 0.020 . 1 . . . . 100 HIS H . 17668 1 915 . 1 1 95 95 HIS C C 13 175.896 0.3 . 1 . . . . 100 HIS C . 17668 1 916 . 1 1 95 95 HIS CA C 13 56.254 0.3 . 1 . . . . 100 HIS CA . 17668 1 917 . 1 1 95 95 HIS CB C 13 30.254 0.3 . 1 . . . . 100 HIS CB . 17668 1 918 . 1 1 95 95 HIS N N 15 120.820 0.3 . 1 . . . . 100 HIS N . 17668 1 919 . 1 1 96 96 GLY H H 1 8.313 0.020 . 1 . . . . 101 GLY H . 17668 1 920 . 1 1 96 96 GLY CA C 13 45.266 0.3 . 1 . . . . 101 GLY CA . 17668 1 921 . 1 1 96 96 GLY N N 15 109.883 0.3 . 1 . . . . 101 GLY N . 17668 1 922 . 1 1 97 97 ALA HA H 1 4.214 0.020 . 1 . . . . 102 ALA HA . 17668 1 923 . 1 1 97 97 ALA HB1 H 1 1.259 0.020 . 1 . . . . 102 ALA HB . 17668 1 924 . 1 1 97 97 ALA HB2 H 1 1.259 0.020 . 1 . . . . 102 ALA HB . 17668 1 925 . 1 1 97 97 ALA HB3 H 1 1.259 0.020 . 1 . . . . 102 ALA HB . 17668 1 926 . 1 1 97 97 ALA C C 13 178.484 0.3 . 1 . . . . 102 ALA C . 17668 1 927 . 1 1 97 97 ALA CA C 13 52.736 0.3 . 1 . . . . 102 ALA CA . 17668 1 928 . 1 1 97 97 ALA CB C 13 19.237 0.3 . 1 . . . . 102 ALA CB . 17668 1 929 . 1 1 97 97 ALA N N 15 123.555 0.3 . 1 . . . . 102 ALA N . 17668 1 930 . 1 1 98 98 GLY H H 1 8.285 0.020 . 1 . . . . 103 GLY H . 17668 1 931 . 1 1 98 98 GLY C C 13 174.342 0.3 . 1 . . . . 103 GLY C . 17668 1 932 . 1 1 98 98 GLY CA C 13 45.241 0.3 . 1 . . . . 103 GLY CA . 17668 1 933 . 1 1 98 98 GLY N N 15 107.696 0.3 . 1 . . . . 103 GLY N . 17668 1 934 . 1 1 99 99 GLU H H 1 8.060 0.020 . 1 . . . . 104 GLU H . 17668 1 935 . 1 1 99 99 GLU C C 13 176.413 0.3 . 1 . . . . 104 GLU C . 17668 1 936 . 1 1 99 99 GLU CA C 13 56.759 0.3 . 1 . . . . 104 GLU CA . 17668 1 937 . 1 1 99 99 GLU CB C 13 30.236 0.3 . 1 . . . . 104 GLU CB . 17668 1 938 . 1 1 99 99 GLU N N 15 119.727 0.3 . 1 . . . . 104 GLU N . 17668 1 939 . 1 1 100 100 PHE H H 1 8.117 0.020 . 1 . . . . 105 PHE H . 17668 1 940 . 1 1 100 100 PHE HA H 1 4.474 0.020 . 1 . . . . 105 PHE HA . 17668 1 941 . 1 1 100 100 PHE HB2 H 1 3.003 0.020 . 2 . . . . 105 PHE HB2 . 17668 1 942 . 1 1 100 100 PHE HB3 H 1 2.840 0.020 . 2 . . . . 105 PHE HB3 . 17668 1 943 . 1 1 100 100 PHE C C 13 175.547 0.3 . 1 . . . . 105 PHE C . 17668 1 944 . 1 1 100 100 PHE CA C 13 57.743 0.3 . 1 . . . . 105 PHE CA . 17668 1 945 . 1 1 100 100 PHE CB C 13 39.499 0.3 . 1 . . . . 105 PHE CB . 17668 1 946 . 1 1 100 100 PHE N N 15 120.273 0.3 . 1 . . . . 105 PHE N . 17668 1 947 . 1 1 101 101 ASN H H 1 8.172 0.020 . 1 . . . . 106 ASN H . 17668 1 948 . 1 1 101 101 ASN HA H 1 4.528 0.020 . 1 . . . . 106 ASN HA . 17668 1 949 . 1 1 101 101 ASN C C 13 175.547 0.3 . 1 . . . . 106 ASN C . 17668 1 950 . 1 1 101 101 ASN CA C 13 53.225 0.3 . 1 . . . . 106 ASN CA . 17668 1 951 . 1 1 101 101 ASN CB C 13 38.753 0.3 . 1 . . . . 106 ASN CB . 17668 1 952 . 1 1 101 101 ASN N N 15 119.727 0.3 . 1 . . . . 106 ASN N . 17668 1 953 . 1 1 102 102 LEU H H 1 8.060 0.020 . 1 . . . . 107 LEU H . 17668 1 954 . 1 1 102 102 LEU HD11 H 1 0.747 0.020 . 1 . . . . 107 LEU HD1 . 17668 1 955 . 1 1 102 102 LEU HD12 H 1 0.747 0.020 . 1 . . . . 107 LEU HD1 . 17668 1 956 . 1 1 102 102 LEU HD13 H 1 0.747 0.020 . 1 . . . . 107 LEU HD1 . 17668 1 957 . 1 1 102 102 LEU HD21 H 1 0.688 0.020 . 1 . . . . 107 LEU HD2 . 17668 1 958 . 1 1 102 102 LEU HD22 H 1 0.688 0.020 . 1 . . . . 107 LEU HD2 . 17668 1 959 . 1 1 102 102 LEU HD23 H 1 0.688 0.020 . 1 . . . . 107 LEU HD2 . 17668 1 960 . 1 1 102 102 LEU C C 13 177.446 0.3 . 1 . . . . 107 LEU C . 17668 1 961 . 1 1 102 102 LEU CA C 13 55.249 0.3 . 1 . . . . 107 LEU CA . 17668 1 962 . 1 1 102 102 LEU CB C 13 42.261 0.3 . 1 . . . . 107 LEU CB . 17668 1 963 . 1 1 102 102 LEU CG C 13 26.901 0.3 . 1 . . . . 107 LEU CG . 17668 1 964 . 1 1 102 102 LEU CD1 C 13 24.834 0.3 . 1 . . . . 107 LEU CD1 . 17668 1 965 . 1 1 102 102 LEU CD2 C 13 23.512 0.3 . 1 . . . . 107 LEU CD2 . 17668 1 966 . 1 1 102 102 LEU N N 15 121.914 0.3 . 1 . . . . 107 LEU N . 17668 1 967 . 1 1 103 103 LYS H H 1 8.145 0.020 . 1 . . . . 108 LYS H . 17668 1 968 . 1 1 103 103 LYS HA H 1 4.229 0.020 . 1 . . . . 108 LYS HA . 17668 1 969 . 1 1 103 103 LYS HB2 H 1 1.559 0.020 . 2 . . . . 108 LYS HB2 . 17668 1 970 . 1 1 103 103 LYS HB3 H 1 1.505 0.020 . 2 . . . . 108 LYS HB3 . 17668 1 971 . 1 1 103 103 LYS HG2 H 1 1.181 0.020 . 2 . . . . 108 LYS HG2 . 17668 1 972 . 1 1 103 103 LYS HG3 H 1 1.123 0.020 . 2 . . . . 108 LYS HG3 . 17668 1 973 . 1 1 103 103 LYS HD2 H 1 1.482 0.020 . 1 . . . . 108 LYS HD2 . 17668 1 974 . 1 1 103 103 LYS C C 13 176.413 0.3 . 1 . . . . 108 LYS C . 17668 1 975 . 1 1 103 103 LYS CA C 13 56.240 0.3 . 1 . . . . 108 LYS CA . 17668 1 976 . 1 1 103 103 LYS CB C 13 32.733 0.3 . 1 . . . . 108 LYS CB . 17668 1 977 . 1 1 103 103 LYS CG C 13 24.836 0.3 . 1 . . . . 108 LYS CG . 17668 1 978 . 1 1 103 103 LYS CD C 13 28.888 0.3 . 1 . . . . 108 LYS CD . 17668 1 979 . 1 1 103 103 LYS CE C 13 42.144 0.3 . 1 . . . . 108 LYS CE . 17668 1 980 . 1 1 103 103 LYS N N 15 121.914 0.3 . 1 . . . . 108 LYS N . 17668 1 981 . 1 1 104 104 GLN H H 1 8.256 0.020 . 1 . . . . 109 GLN H . 17668 1 982 . 1 1 104 104 GLN HA H 1 4.201 0.020 . 1 . . . . 109 GLN HA . 17668 1 983 . 1 1 104 104 GLN HB2 H 1 1.995 0.020 . 1 . . . . 109 GLN HB2 . 17668 1 984 . 1 1 104 104 GLN HG2 H 1 2.077 0.020 . 1 . . . . 109 GLN HG2 . 17668 1 985 . 1 1 104 104 GLN C C 13 175.716 0.3 . 1 . . . . 109 GLN C . 17668 1 986 . 1 1 104 104 GLN CA C 13 55.756 0.3 . 1 . . . . 109 GLN CA . 17668 1 987 . 1 1 104 104 GLN CB C 13 29.732 0.3 . 1 . . . . 109 GLN CB . 17668 1 988 . 1 1 104 104 GLN CG C 13 36.499 0.3 . 1 . . . . 109 GLN CG . 17668 1 989 . 1 1 104 104 GLN N N 15 121.914 0.3 . 1 . . . . 109 GLN N . 17668 1 990 . 1 1 105 105 GLU HA H 1 4.147 0.020 . 1 . . . . 110 GLU HA . 17668 1 991 . 1 1 105 105 GLU HB2 H 1 1.913 0.020 . 2 . . . . 110 GLU HB2 . 17668 1 992 . 1 1 105 105 GLU HB3 H 1 1.695 0.020 . 2 . . . . 110 GLU HB3 . 17668 1 993 . 1 1 105 105 GLU HG2 H 1 2.130 0.020 . 1 . . . . 110 GLU HG2 . 17668 1 994 . 1 1 105 105 GLU C C 13 175.545 0.3 . 1 . . . . 110 GLU C . 17668 1 995 . 1 1 105 105 GLU CA C 13 56.246 0.3 . 1 . . . . 110 GLU CA . 17668 1 996 . 1 1 105 105 GLU CB C 13 30.241 0.3 . 1 . . . . 110 GLU CB . 17668 1 997 . 1 1 105 105 GLU CG C 13 36.279 0.3 . 1 . . . . 110 GLU CG . 17668 1 998 . 1 1 105 105 GLU N N 15 123.008 0.3 . 1 . . . . 110 GLU N . 17668 1 999 . 1 1 106 106 LEU H H 1 7.835 0.020 . 1 . . . . 111 LEU H . 17668 1 1000 . 1 1 106 106 LEU HA H 1 4.065 0.020 . 1 . . . . 111 LEU HA . 17668 1 1001 . 1 1 106 106 LEU HB2 H 1 1.450 0.020 . 1 . . . . 111 LEU HB2 . 17668 1 1002 . 1 1 106 106 LEU HG H 1 1.450 0.020 . 1 . . . . 111 LEU HG . 17668 1 1003 . 1 1 106 106 LEU HD11 H 1 0.769 0.020 . 1 . . . . 111 LEU HD1 . 17668 1 1004 . 1 1 106 106 LEU HD12 H 1 0.769 0.020 . 1 . . . . 111 LEU HD1 . 17668 1 1005 . 1 1 106 106 LEU HD13 H 1 0.769 0.020 . 1 . . . . 111 LEU HD1 . 17668 1 1006 . 1 1 106 106 LEU HD21 H 1 0.715 0.020 . 1 . . . . 111 LEU HD2 . 17668 1 1007 . 1 1 106 106 LEU HD22 H 1 0.715 0.020 . 1 . . . . 111 LEU HD2 . 17668 1 1008 . 1 1 106 106 LEU HD23 H 1 0.715 0.020 . 1 . . . . 111 LEU HD2 . 17668 1 1009 . 1 1 106 106 LEU CA C 13 56.821 0.3 . 1 . . . . 111 LEU CA . 17668 1 1010 . 1 1 106 106 LEU CB C 13 43.447 0.3 . 1 . . . . 111 LEU CB . 17668 1 1011 . 1 1 106 106 LEU CG C 13 27.188 0.3 . 1 . . . . 111 LEU CG . 17668 1 1012 . 1 1 106 106 LEU CD1 C 13 25.136 0.3 . 1 . . . . 111 LEU CD1 . 17668 1 1013 . 1 1 106 106 LEU CD2 C 13 23.668 0.3 . 1 . . . . 111 LEU CD2 . 17668 1 1014 . 1 1 106 106 LEU N N 15 129.023 0.3 . 1 . . . . 111 LEU N . 17668 1 stop_ save_