data_34110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34110 _Entry.Title ; Structure of the N-terminal domain of the Escherichia Coli ProQ RNA binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-01 _Entry.Accession_date 2017-03-01 _Entry.Last_release_date 2017-05-02 _Entry.Original_release_date 2017-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Gonzales G. . . . 34110 2 S. Hardwick S. . . . 34110 3 S. Maslen S. . . . 34110 4 M. Skehel M. . . . 34110 5 E. Holmqvist E. . . . 34110 6 J. Vogel J. . . . 34110 7 A. Bateman A. . . . 34110 8 B. Luisi B. . . . 34110 9 R. Broadhurst R. . . . 34110 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FinO . 34110 ProQ . 34110 RNA . 34110 chaperone . 34110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 34110 '15N chemical shifts' 126 34110 '1H chemical shifts' 722 34110 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-05-04 . original BMRB . 34110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NB9 'BMRB Entry Tracking System' 34110 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34110 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1261/rna.060343.116 _Citation.PubMed_ID 28193673 _Citation.Full_citation . _Citation.Title ; Structure of the Escherichia coli ProQ RNA-binding protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue . _Citation.Journal_ASTM RNARFU _Citation.Journal_ISSN 1469-9001 _Citation.Journal_CSD 2122 _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 696 _Citation.Page_last 711 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Gonzalez G. M. . . 34110 1 2 S. Hardwick S. W. . . 34110 1 3 S. Maslen S. L. . . 34110 1 4 J. Skehel J. M. . . 34110 1 5 E. Holmqvist E. . . . 34110 1 6 J. Vogel J. . . . 34110 1 7 A. Bateman A. . . . 34110 1 8 B. Luisi B. F. . . 34110 1 9 R. Broadhurst R. W. . . 34110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34110 _Assembly.ID 1 _Assembly.Name 'RNA chaperone ProQ' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGSSHHHHHHSQDPMENQPK LNSSKEVIAFLAERFPHCFS AEGEARPLKIGIFQDLVDRV AGEMNLSKTQLRSALRLYTS SWRYLYGVKPGATRVDLDGN PCGELDEQHVEHARKQLEEA KARVQAQRAEQQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15107.911 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34110 1 2 . GLY . 34110 1 3 . SER . 34110 1 4 . SER . 34110 1 5 . HIS . 34110 1 6 . HIS . 34110 1 7 . HIS . 34110 1 8 . HIS . 34110 1 9 . HIS . 34110 1 10 . HIS . 34110 1 11 . SER . 34110 1 12 . GLN . 34110 1 13 . ASP . 34110 1 14 . PRO . 34110 1 15 . MET . 34110 1 16 . GLU . 34110 1 17 . ASN . 34110 1 18 . GLN . 34110 1 19 . PRO . 34110 1 20 . LYS . 34110 1 21 . LEU . 34110 1 22 . ASN . 34110 1 23 . SER . 34110 1 24 . SER . 34110 1 25 . LYS . 34110 1 26 . GLU . 34110 1 27 . VAL . 34110 1 28 . ILE . 34110 1 29 . ALA . 34110 1 30 . PHE . 34110 1 31 . LEU . 34110 1 32 . ALA . 34110 1 33 . GLU . 34110 1 34 . ARG . 34110 1 35 . PHE . 34110 1 36 . PRO . 34110 1 37 . HIS . 34110 1 38 . CYS . 34110 1 39 . PHE . 34110 1 40 . SER . 34110 1 41 . ALA . 34110 1 42 . GLU . 34110 1 43 . GLY . 34110 1 44 . GLU . 34110 1 45 . ALA . 34110 1 46 . ARG . 34110 1 47 . PRO . 34110 1 48 . LEU . 34110 1 49 . LYS . 34110 1 50 . ILE . 34110 1 51 . GLY . 34110 1 52 . ILE . 34110 1 53 . PHE . 34110 1 54 . GLN . 34110 1 55 . ASP . 34110 1 56 . LEU . 34110 1 57 . VAL . 34110 1 58 . ASP . 34110 1 59 . ARG . 34110 1 60 . VAL . 34110 1 61 . ALA . 34110 1 62 . GLY . 34110 1 63 . GLU . 34110 1 64 . MET . 34110 1 65 . ASN . 34110 1 66 . LEU . 34110 1 67 . SER . 34110 1 68 . LYS . 34110 1 69 . THR . 34110 1 70 . GLN . 34110 1 71 . LEU . 34110 1 72 . ARG . 34110 1 73 . SER . 34110 1 74 . ALA . 34110 1 75 . LEU . 34110 1 76 . ARG . 34110 1 77 . LEU . 34110 1 78 . TYR . 34110 1 79 . THR . 34110 1 80 . SER . 34110 1 81 . SER . 34110 1 82 . TRP . 34110 1 83 . ARG . 34110 1 84 . TYR . 34110 1 85 . LEU . 34110 1 86 . TYR . 34110 1 87 . GLY . 34110 1 88 . VAL . 34110 1 89 . LYS . 34110 1 90 . PRO . 34110 1 91 . GLY . 34110 1 92 . ALA . 34110 1 93 . THR . 34110 1 94 . ARG . 34110 1 95 . VAL . 34110 1 96 . ASP . 34110 1 97 . LEU . 34110 1 98 . ASP . 34110 1 99 . GLY . 34110 1 100 . ASN . 34110 1 101 . PRO . 34110 1 102 . CYS . 34110 1 103 . GLY . 34110 1 104 . GLU . 34110 1 105 . LEU . 34110 1 106 . ASP . 34110 1 107 . GLU . 34110 1 108 . GLN . 34110 1 109 . HIS . 34110 1 110 . VAL . 34110 1 111 . GLU . 34110 1 112 . HIS . 34110 1 113 . ALA . 34110 1 114 . ARG . 34110 1 115 . LYS . 34110 1 116 . GLN . 34110 1 117 . LEU . 34110 1 118 . GLU . 34110 1 119 . GLU . 34110 1 120 . ALA . 34110 1 121 . LYS . 34110 1 122 . ALA . 34110 1 123 . ARG . 34110 1 124 . VAL . 34110 1 125 . GLN . 34110 1 126 . ALA . 34110 1 127 . GLN . 34110 1 128 . ARG . 34110 1 129 . ALA . 34110 1 130 . GLU . 34110 1 131 . GLN . 34110 1 132 . GLN . 34110 1 133 . ALA . 34110 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34110 1 . GLY 2 2 34110 1 . SER 3 3 34110 1 . SER 4 4 34110 1 . HIS 5 5 34110 1 . HIS 6 6 34110 1 . HIS 7 7 34110 1 . HIS 8 8 34110 1 . HIS 9 9 34110 1 . HIS 10 10 34110 1 . SER 11 11 34110 1 . GLN 12 12 34110 1 . ASP 13 13 34110 1 . PRO 14 14 34110 1 . MET 15 15 34110 1 . GLU 16 16 34110 1 . ASN 17 17 34110 1 . GLN 18 18 34110 1 . PRO 19 19 34110 1 . LYS 20 20 34110 1 . LEU 21 21 34110 1 . ASN 22 22 34110 1 . SER 23 23 34110 1 . SER 24 24 34110 1 . LYS 25 25 34110 1 . GLU 26 26 34110 1 . VAL 27 27 34110 1 . ILE 28 28 34110 1 . ALA 29 29 34110 1 . PHE 30 30 34110 1 . LEU 31 31 34110 1 . ALA 32 32 34110 1 . GLU 33 33 34110 1 . ARG 34 34 34110 1 . PHE 35 35 34110 1 . PRO 36 36 34110 1 . HIS 37 37 34110 1 . CYS 38 38 34110 1 . PHE 39 39 34110 1 . SER 40 40 34110 1 . ALA 41 41 34110 1 . GLU 42 42 34110 1 . GLY 43 43 34110 1 . GLU 44 44 34110 1 . ALA 45 45 34110 1 . ARG 46 46 34110 1 . PRO 47 47 34110 1 . LEU 48 48 34110 1 . LYS 49 49 34110 1 . ILE 50 50 34110 1 . GLY 51 51 34110 1 . ILE 52 52 34110 1 . PHE 53 53 34110 1 . GLN 54 54 34110 1 . ASP 55 55 34110 1 . LEU 56 56 34110 1 . VAL 57 57 34110 1 . ASP 58 58 34110 1 . ARG 59 59 34110 1 . VAL 60 60 34110 1 . ALA 61 61 34110 1 . GLY 62 62 34110 1 . GLU 63 63 34110 1 . MET 64 64 34110 1 . ASN 65 65 34110 1 . LEU 66 66 34110 1 . SER 67 67 34110 1 . LYS 68 68 34110 1 . THR 69 69 34110 1 . GLN 70 70 34110 1 . LEU 71 71 34110 1 . ARG 72 72 34110 1 . SER 73 73 34110 1 . ALA 74 74 34110 1 . LEU 75 75 34110 1 . ARG 76 76 34110 1 . LEU 77 77 34110 1 . TYR 78 78 34110 1 . THR 79 79 34110 1 . SER 80 80 34110 1 . SER 81 81 34110 1 . TRP 82 82 34110 1 . ARG 83 83 34110 1 . TYR 84 84 34110 1 . LEU 85 85 34110 1 . TYR 86 86 34110 1 . GLY 87 87 34110 1 . VAL 88 88 34110 1 . LYS 89 89 34110 1 . PRO 90 90 34110 1 . GLY 91 91 34110 1 . ALA 92 92 34110 1 . THR 93 93 34110 1 . ARG 94 94 34110 1 . VAL 95 95 34110 1 . ASP 96 96 34110 1 . LEU 97 97 34110 1 . ASP 98 98 34110 1 . GLY 99 99 34110 1 . ASN 100 100 34110 1 . PRO 101 101 34110 1 . CYS 102 102 34110 1 . GLY 103 103 34110 1 . GLU 104 104 34110 1 . LEU 105 105 34110 1 . ASP 106 106 34110 1 . GLU 107 107 34110 1 . GLN 108 108 34110 1 . HIS 109 109 34110 1 . VAL 110 110 34110 1 . GLU 111 111 34110 1 . HIS 112 112 34110 1 . ALA 113 113 34110 1 . ARG 114 114 34110 1 . LYS 115 115 34110 1 . GLN 116 116 34110 1 . LEU 117 117 34110 1 . GLU 118 118 34110 1 . GLU 119 119 34110 1 . ALA 120 120 34110 1 . LYS 121 121 34110 1 . ALA 122 122 34110 1 . ARG 123 123 34110 1 . VAL 124 124 34110 1 . GLN 125 125 34110 1 . ALA 126 126 34110 1 . GLN 127 127 34110 1 . ARG 128 128 34110 1 . ALA 129 129 34110 1 . GLU 130 130 34110 1 . GLN 131 131 34110 1 . GLN 132 132 34110 1 . ALA 133 133 34110 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 34110 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 585035 organism . 'Escherichia coli O45:K1 (strain S88 / ExPEC)' 'E. coli' . . Bacteria . Escherichia coli 'S88 / ExPEC' . . . . . . . . . . 'proQ, ECS88_1884' . 34110 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 34110 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . plasmid . . ProQ-NTD-pET-DUET . . . 34110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34110 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM TCEP, 0.0025 % 3,3,3-trimethylsilylpropionate, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . . . . mM . . . . 34110 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 34110 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 34110 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 34110 1 5 3,3,3-trimethylsilylpropionate 'natural abundance' . . . . . . 0.0025 . . % 0.0005 . . . 34110 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34110 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM sodium phosphate, 100 mM sodium chloride, 1 mM TCEP, 0.0025 % 3,3,3-trimethylsilylpropionate, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . . . . mM . . . . 34110 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 34110 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 34110 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 34110 2 5 3,3,3-trimethylsilylpropionate 'natural abundance' . . . . . . 0.0025 . . % 0.0005 . . . 34110 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34110 _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' 150 20 mM 34110 1 pH 6.5 0.1 pH 34110 1 pressure 1 0.01 atm 34110 1 temperature 298 0.1 K 34110 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34110 _Sample_condition_list.ID 2 _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' 150 20 mM 34110 2 pH 6.5 0.1 pH 34110 2 pressure 1 0.01 atm 34110 2 temperature 298 0.1 K 34110 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34110 _Software.ID 1 _Software.Name Analysis _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34110 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34110 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34110 _Software.ID 2 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34110 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34110 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34110 _Software.ID 3 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34110 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34110 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34110 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34110 _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 NMR_spectrometer_1 Bruker DRX . 500 . . . 34110 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 34110 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 34110 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34110 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34110 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34110 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34110 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34110 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34110 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34110 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34110 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34110 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34110 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0.000 internal direct 0.25144953 . . . . . 34110 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34110 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34110 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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' . . . 34110 1 2 '3D 1H-15N NOESY' . . . 34110 1 3 '3D 1H-15N TOCSY' . . . 34110 1 4 '3D HNCA' . . . 34110 1 5 '3D HN(CO)CA' . . . 34110 1 6 '3D HCCH-TOCSY' . . . 34110 1 7 '3D HNCO' . . . 34110 1 8 '3D CBCA(CO)NH' . . . 34110 1 9 '3D HNCACB' . . . 34110 1 10 '3D 1H-13C NOESY' . . . 34110 1 11 '2D 1H-13C HSQC' . . . 34110 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 10 10 HIS HA H 1 4.661 0.022 . 1 . . . A 10 HIS HA . 34110 1 2 . 1 1 10 10 HIS HB2 H 1 3.224 0.021 . 2 . . . A 10 HIS HB2 . 34110 1 3 . 1 1 10 10 HIS HB3 H 1 2.913 0 . 2 . . . A 10 HIS HB3 . 34110 1 4 . 1 1 10 10 HIS C C 13 174.522 0 . 1 . . . A 10 HIS C . 34110 1 5 . 1 1 10 10 HIS CA C 13 55.491 0.074 . 1 . . . A 10 HIS CA . 34110 1 6 . 1 1 10 10 HIS CB C 13 29.449 0.061 . 1 . . . A 10 HIS CB . 34110 1 7 . 1 1 11 11 SER H H 1 8.5 0.011 . 1 . . . A 11 SER H . 34110 1 8 . 1 1 11 11 SER HA H 1 4.418 0.007 . 1 . . . A 11 SER HA . 34110 1 9 . 1 1 11 11 SER HB2 H 1 3.852 0.014 . 1 . . . A 11 SER HB2 . 34110 1 10 . 1 1 11 11 SER C C 13 174.226 0 . 1 . . . A 11 SER C . 34110 1 11 . 1 1 11 11 SER CA C 13 58.197 0.043 . 1 . . . A 11 SER CA . 34110 1 12 . 1 1 11 11 SER CB C 13 63.258 0.117 . 1 . . . A 11 SER CB . 34110 1 13 . 1 1 11 11 SER N N 15 117.503 0.079 . 1 . . . A 11 SER N . 34110 1 14 . 1 1 12 12 GLN H H 1 8.53 0.007 . 1 . . . A 12 GLN H . 34110 1 15 . 1 1 12 12 GLN HA H 1 4.369 0.019 . 1 . . . A 12 GLN HA . 34110 1 16 . 1 1 12 12 GLN HB2 H 1 2.126 0.009 . 2 . . . A 12 GLN HB2 . 34110 1 17 . 1 1 12 12 GLN HB3 H 1 1.984 0.007 . 2 . . . A 12 GLN HB3 . 34110 1 18 . 1 1 12 12 GLN HG2 H 1 2.346 0.012 . 1 . . . A 12 GLN HG2 . 34110 1 19 . 1 1 12 12 GLN C C 13 175.283 0 . 1 . . . A 12 GLN C . 34110 1 20 . 1 1 12 12 GLN CA C 13 55.403 0.045 . 1 . . . A 12 GLN CA . 34110 1 21 . 1 1 12 12 GLN CB C 13 29.207 0.028 . 1 . . . A 12 GLN CB . 34110 1 22 . 1 1 12 12 GLN CG C 13 33.644 0 . 1 . . . A 12 GLN CG . 34110 1 23 . 1 1 12 12 GLN N N 15 121.534 0.065 . 1 . . . A 12 GLN N . 34110 1 24 . 1 1 13 13 ASP H H 1 8.358 0.004 . 1 . . . A 13 ASP H . 34110 1 25 . 1 1 13 13 ASP HA H 1 4.866 0.008 . 1 . . . A 13 ASP HA . 34110 1 26 . 1 1 13 13 ASP HB2 H 1 2.568 0.007 . 2 . . . A 13 ASP HB2 . 34110 1 27 . 1 1 13 13 ASP HB3 H 1 2.777 0.008 . 2 . . . A 13 ASP HB3 . 34110 1 28 . 1 1 13 13 ASP CA C 13 52.14 0.026 . 1 . . . A 13 ASP CA . 34110 1 29 . 1 1 13 13 ASP CB C 13 40.817 0.131 . 1 . . . A 13 ASP CB . 34110 1 30 . 1 1 13 13 ASP N N 15 123.267 0.055 . 1 . . . A 13 ASP N . 34110 1 31 . 1 1 14 14 PRO HA H 1 4.415 0.003 . 1 . . . A 14 PRO HA . 34110 1 32 . 1 1 14 14 PRO HB3 H 1 2.32 0.007 . 1 . . . A 14 PRO HB3 . 34110 1 33 . 1 1 14 14 PRO HG3 H 1 2.011 0 . 1 . . . A 14 PRO HG3 . 34110 1 34 . 1 1 14 14 PRO HD3 H 1 3.855 0.01 . 1 . . . A 14 PRO HD3 . 34110 1 35 . 1 1 14 14 PRO C C 13 177.407 0 . 1 . . . A 14 PRO C . 34110 1 36 . 1 1 14 14 PRO CA C 13 63.412 0 . 1 . . . A 14 PRO CA . 34110 1 37 . 1 1 14 14 PRO CB C 13 31.826 0.084 . 1 . . . A 14 PRO CB . 34110 1 38 . 1 1 14 14 PRO CG C 13 27.065 0 . 1 . . . A 14 PRO CG . 34110 1 39 . 1 1 14 14 PRO CD C 13 50.645 0 . 1 . . . A 14 PRO CD . 34110 1 40 . 1 1 15 15 MET H H 1 8.522 0.003 . 1 . . . A 15 MET H . 34110 1 41 . 1 1 15 15 MET HA H 1 4.42 0.004 . 1 . . . A 15 MET HA . 34110 1 42 . 1 1 15 15 MET HB2 H 1 2.081 0.002 . 1 . . . A 15 MET HB2 . 34110 1 43 . 1 1 15 15 MET HG2 H 1 2.53 0.008 . 2 . . . A 15 MET HG2 . 34110 1 44 . 1 1 15 15 MET HG3 H 1 2.65 0.006 . 2 . . . A 15 MET HG3 . 34110 1 45 . 1 1 15 15 MET C C 13 176.791 0 . 1 . . . A 15 MET C . 34110 1 46 . 1 1 15 15 MET CA C 13 55.405 0.05 . 1 . . . A 15 MET CA . 34110 1 47 . 1 1 15 15 MET CB C 13 31.967 0.068 . 1 . . . A 15 MET CB . 34110 1 48 . 1 1 15 15 MET N N 15 118.491 0.056 . 1 . . . A 15 MET N . 34110 1 49 . 1 1 16 16 GLU H H 1 8.168 0.006 . 1 . . . A 16 GLU H . 34110 1 50 . 1 1 16 16 GLU HA H 1 4.229 0 . 1 . . . A 16 GLU HA . 34110 1 51 . 1 1 16 16 GLU HB2 H 1 2.027 0 . 1 . . . A 16 GLU HB2 . 34110 1 52 . 1 1 16 16 GLU HG2 H 1 2.277 0 . 1 . . . A 16 GLU HG2 . 34110 1 53 . 1 1 16 16 GLU C C 13 176.114 0 . 1 . . . A 16 GLU C . 34110 1 54 . 1 1 16 16 GLU CA C 13 56.688 0.048 . 1 . . . A 16 GLU CA . 34110 1 55 . 1 1 16 16 GLU CB C 13 29.879 0.007 . 1 . . . A 16 GLU CB . 34110 1 56 . 1 1 16 16 GLU CG C 13 35.897 0 . 1 . . . A 16 GLU CG . 34110 1 57 . 1 1 16 16 GLU N N 15 120.469 0.041 . 1 . . . A 16 GLU N . 34110 1 58 . 1 1 17 17 ASN H H 1 8.324 0.004 . 1 . . . A 17 ASN H . 34110 1 59 . 1 1 17 17 ASN HA H 1 4.706 0.006 . 1 . . . A 17 ASN HA . 34110 1 60 . 1 1 17 17 ASN HB2 H 1 2.818 0.019 . 2 . . . A 17 ASN HB2 . 34110 1 61 . 1 1 17 17 ASN HB3 H 1 2.725 0.002 . 2 . . . A 17 ASN HB3 . 34110 1 62 . 1 1 17 17 ASN C C 13 174.573 0 . 1 . . . A 17 ASN C . 34110 1 63 . 1 1 17 17 ASN CA C 13 52.898 0.049 . 1 . . . A 17 ASN CA . 34110 1 64 . 1 1 17 17 ASN CB C 13 38.629 0.053 . 1 . . . A 17 ASN CB . 34110 1 65 . 1 1 17 17 ASN N N 15 118.33 0.059 . 1 . . . A 17 ASN N . 34110 1 66 . 1 1 18 18 GLN H H 1 8.124 0.004 . 1 . . . A 18 GLN H . 34110 1 67 . 1 1 18 18 GLN HA H 1 4.602 0.005 . 1 . . . A 18 GLN HA . 34110 1 68 . 1 1 18 18 GLN HB2 H 1 1.928 0.001 . 2 . . . A 18 GLN HB2 . 34110 1 69 . 1 1 18 18 GLN HB3 H 1 2.075 0.005 . 2 . . . A 18 GLN HB3 . 34110 1 70 . 1 1 18 18 GLN HG2 H 1 2.368 0 . 1 . . . A 18 GLN HG2 . 34110 1 71 . 1 1 18 18 GLN CA C 13 53.504 0.034 . 1 . . . A 18 GLN CA . 34110 1 72 . 1 1 18 18 GLN CB C 13 28.521 0.066 . 1 . . . A 18 GLN CB . 34110 1 73 . 1 1 18 18 GLN N N 15 120.752 0.051 . 1 . . . A 18 GLN N . 34110 1 74 . 1 1 19 19 PRO HA H 1 4.42 0.015 . 1 . . . A 19 PRO HA . 34110 1 75 . 1 1 19 19 PRO HB2 H 1 1.971 0.017 . 2 . . . A 19 PRO HB2 . 34110 1 76 . 1 1 19 19 PRO HB3 H 1 1.825 0.009 . 2 . . . A 19 PRO HB3 . 34110 1 77 . 1 1 19 19 PRO HG3 H 1 2.289 0 . 1 . . . A 19 PRO HG3 . 34110 1 78 . 1 1 19 19 PRO HD2 H 1 3.803 0.014 . 2 . . . A 19 PRO HD2 . 34110 1 79 . 1 1 19 19 PRO HD3 H 1 3.9 0 . 2 . . . A 19 PRO HD3 . 34110 1 80 . 1 1 19 19 PRO C C 13 176.218 0 . 1 . . . A 19 PRO C . 34110 1 81 . 1 1 19 19 PRO CA C 13 62.918 0.161 . 1 . . . A 19 PRO CA . 34110 1 82 . 1 1 19 19 PRO CB C 13 31.915 0.019 . 1 . . . A 19 PRO CB . 34110 1 83 . 1 1 20 20 LYS H H 1 8.212 0.009 . 1 . . . A 20 LYS H . 34110 1 84 . 1 1 20 20 LYS HA H 1 4.325 0.004 . 1 . . . A 20 LYS HA . 34110 1 85 . 1 1 20 20 LYS HB2 H 1 1.71 0.008 . 2 . . . A 20 LYS HB2 . 34110 1 86 . 1 1 20 20 LYS HB3 H 1 1.777 0.016 . 2 . . . A 20 LYS HB3 . 34110 1 87 . 1 1 20 20 LYS HG2 H 1 1.402 0.008 . 2 . . . A 20 LYS HG2 . 34110 1 88 . 1 1 20 20 LYS HG3 H 1 1.267 0 . 2 . . . A 20 LYS HG3 . 34110 1 89 . 1 1 20 20 LYS HD2 H 1 1.688 0.006 . 1 . . . A 20 LYS HD2 . 34110 1 90 . 1 1 20 20 LYS HE2 H 1 3.007 0.008 . 2 . . . A 20 LYS HE2 . 34110 1 91 . 1 1 20 20 LYS HE3 H 1 2.762 0.013 . 2 . . . A 20 LYS HE3 . 34110 1 92 . 1 1 20 20 LYS C C 13 175.703 0 . 1 . . . A 20 LYS C . 34110 1 93 . 1 1 20 20 LYS CA C 13 55.648 0.056 . 1 . . . A 20 LYS CA . 34110 1 94 . 1 1 20 20 LYS CB C 13 33.13 0.12 . 1 . . . A 20 LYS CB . 34110 1 95 . 1 1 20 20 LYS CG C 13 24.45 0.091 . 1 . . . A 20 LYS CG . 34110 1 96 . 1 1 20 20 LYS CD C 13 28.703 0.022 . 1 . . . A 20 LYS CD . 34110 1 97 . 1 1 20 20 LYS N N 15 120.51 0.07 . 1 . . . A 20 LYS N . 34110 1 98 . 1 1 21 21 LEU H H 1 8.281 0.007 . 1 . . . A 21 LEU H . 34110 1 99 . 1 1 21 21 LEU HA H 1 4.457 0.015 . 1 . . . A 21 LEU HA . 34110 1 100 . 1 1 21 21 LEU HB2 H 1 1.688 0.011 . 2 . . . A 21 LEU HB2 . 34110 1 101 . 1 1 21 21 LEU HB3 H 1 1.194 0.01 . 2 . . . A 21 LEU HB3 . 34110 1 102 . 1 1 21 21 LEU HG H 1 1.426 0.007 . 1 . . . A 21 LEU HG . 34110 1 103 . 1 1 21 21 LEU HD11 H 1 0.73 0.011 . 2 . . . A 21 LEU HD11 . 34110 1 104 . 1 1 21 21 LEU HD12 H 1 0.73 0.011 . 2 . . . A 21 LEU HD12 . 34110 1 105 . 1 1 21 21 LEU HD13 H 1 0.73 0.011 . 2 . . . A 21 LEU HD13 . 34110 1 106 . 1 1 21 21 LEU HD21 H 1 0.581 0.009 . 2 . . . A 21 LEU HD21 . 34110 1 107 . 1 1 21 21 LEU HD22 H 1 0.581 0.009 . 2 . . . A 21 LEU HD22 . 34110 1 108 . 1 1 21 21 LEU HD23 H 1 0.581 0.009 . 2 . . . A 21 LEU HD23 . 34110 1 109 . 1 1 21 21 LEU C C 13 176.589 0 . 1 . . . A 21 LEU C . 34110 1 110 . 1 1 21 21 LEU CA C 13 53.554 0.066 . 1 . . . A 21 LEU CA . 34110 1 111 . 1 1 21 21 LEU CB C 13 41.777 0.076 . 1 . . . A 21 LEU CB . 34110 1 112 . 1 1 21 21 LEU CG C 13 26.277 0.118 . 1 . . . A 21 LEU CG . 34110 1 113 . 1 1 21 21 LEU CD1 C 13 23.257 0.125 . 2 . . . A 21 LEU CD1 . 34110 1 114 . 1 1 21 21 LEU CD2 C 13 25.822 0.088 . 2 . . . A 21 LEU CD2 . 34110 1 115 . 1 1 21 21 LEU N N 15 121.527 0.075 . 1 . . . A 21 LEU N . 34110 1 116 . 1 1 22 22 ASN H H 1 8.601 0.006 . 1 . . . A 22 ASN H . 34110 1 117 . 1 1 22 22 ASN HA H 1 4.717 0.023 . 1 . . . A 22 ASN HA . 34110 1 118 . 1 1 22 22 ASN HB2 H 1 2.843 0.017 . 2 . . . A 22 ASN HB2 . 34110 1 119 . 1 1 22 22 ASN HB3 H 1 2.781 0.011 . 2 . . . A 22 ASN HB3 . 34110 1 120 . 1 1 22 22 ASN HD21 H 1 6.85 0.007 . 1 . . . A 22 ASN HD21 . 34110 1 121 . 1 1 22 22 ASN HD22 H 1 7.843 0.002 . 1 . . . A 22 ASN HD22 . 34110 1 122 . 1 1 22 22 ASN C C 13 174.536 0 . 1 . . . A 22 ASN C . 34110 1 123 . 1 1 22 22 ASN CA C 13 54.211 0.103 . 1 . . . A 22 ASN CA . 34110 1 124 . 1 1 22 22 ASN CB C 13 39.949 0.078 . 1 . . . A 22 ASN CB . 34110 1 125 . 1 1 22 22 ASN N N 15 118.598 0.076 . 1 . . . A 22 ASN N . 34110 1 126 . 1 1 22 22 ASN ND2 N 15 113.615 0.05 . 1 . . . A 22 ASN ND2 . 34110 1 127 . 1 1 23 23 SER H H 1 7.815 0.005 . 1 . . . A 23 SER H . 34110 1 128 . 1 1 23 23 SER HB2 H 1 4.278 0.006 . 2 . . . A 23 SER HB2 . 34110 1 129 . 1 1 23 23 SER HB3 H 1 4.015 0.007 . 2 . . . A 23 SER HB3 . 34110 1 130 . 1 1 23 23 SER C C 13 174.989 0 . 1 . . . A 23 SER C . 34110 1 131 . 1 1 23 23 SER CA C 13 56.74 0.081 . 1 . . . A 23 SER CA . 34110 1 132 . 1 1 23 23 SER CB C 13 65.763 0.126 . 1 . . . A 23 SER CB . 34110 1 133 . 1 1 23 23 SER N N 15 112.712 0.083 . 1 . . . A 23 SER N . 34110 1 134 . 1 1 24 24 SER H H 1 9.205 0.006 . 1 . . . A 24 SER H . 34110 1 135 . 1 1 24 24 SER HA H 1 4.378 0.016 . 1 . . . A 24 SER HA . 34110 1 136 . 1 1 24 24 SER HB2 H 1 3.846 0.013 . 2 . . . A 24 SER HB2 . 34110 1 137 . 1 1 24 24 SER HB3 H 1 3.955 0 . 2 . . . A 24 SER HB3 . 34110 1 138 . 1 1 24 24 SER C C 13 175.75 0 . 1 . . . A 24 SER C . 34110 1 139 . 1 1 24 24 SER CA C 13 62.017 0.073 . 1 . . . A 24 SER CA . 34110 1 140 . 1 1 24 24 SER CB C 13 63.412 0.014 . 1 . . . A 24 SER CB . 34110 1 141 . 1 1 24 24 SER N N 15 118.519 0.088 . 1 . . . A 24 SER N . 34110 1 142 . 1 1 25 25 LYS H H 1 8.404 0.008 . 1 . . . A 25 LYS H . 34110 1 143 . 1 1 25 25 LYS HA H 1 3.997 0.008 . 1 . . . A 25 LYS HA . 34110 1 144 . 1 1 25 25 LYS HB2 H 1 1.876 0.018 . 1 . . . A 25 LYS HB2 . 34110 1 145 . 1 1 25 25 LYS HG2 H 1 1.575 0.008 . 2 . . . A 25 LYS HG2 . 34110 1 146 . 1 1 25 25 LYS HG3 H 1 1.449 0.009 . 2 . . . A 25 LYS HG3 . 34110 1 147 . 1 1 25 25 LYS HD2 H 1 1.734 0.004 . 2 . . . A 25 LYS HD2 . 34110 1 148 . 1 1 25 25 LYS HD3 H 1 1.922 0 . 2 . . . A 25 LYS HD3 . 34110 1 149 . 1 1 25 25 LYS HE2 H 1 3.031 0.003 . 2 . . . A 25 LYS HE2 . 34110 1 150 . 1 1 25 25 LYS HE3 H 1 2.76 0 . 2 . . . A 25 LYS HE3 . 34110 1 151 . 1 1 25 25 LYS C C 13 179.164 0 . 1 . . . A 25 LYS C . 34110 1 152 . 1 1 25 25 LYS CA C 13 59.848 0.11 . 1 . . . A 25 LYS CA . 34110 1 153 . 1 1 25 25 LYS CB C 13 31.788 0.124 . 1 . . . A 25 LYS CB . 34110 1 154 . 1 1 25 25 LYS CG C 13 24.916 0.105 . 1 . . . A 25 LYS CG . 34110 1 155 . 1 1 25 25 LYS CD C 13 29.101 0.081 . 1 . . . A 25 LYS CD . 34110 1 156 . 1 1 25 25 LYS N N 15 121.419 0.124 . 1 . . . A 25 LYS N . 34110 1 157 . 1 1 26 26 GLU H H 1 7.749 0.006 . 1 . . . A 26 GLU H . 34110 1 158 . 1 1 26 26 GLU HA H 1 4.141 0.018 . 1 . . . A 26 GLU HA . 34110 1 159 . 1 1 26 26 GLU C C 13 179.529 0 . 1 . . . A 26 GLU C . 34110 1 160 . 1 1 26 26 GLU CA C 13 58.908 0.115 . 1 . . . A 26 GLU CA . 34110 1 161 . 1 1 26 26 GLU CB C 13 29.928 0.09 . 1 . . . A 26 GLU CB . 34110 1 162 . 1 1 26 26 GLU N N 15 119.352 0.049 . 1 . . . A 26 GLU N . 34110 1 163 . 1 1 27 27 VAL H H 1 8.15 0.007 . 1 . . . A 27 VAL H . 34110 1 164 . 1 1 27 27 VAL HA H 1 3.692 0.006 . 1 . . . A 27 VAL HA . 34110 1 165 . 1 1 27 27 VAL HB H 1 2.291 0.01 . 1 . . . A 27 VAL HB . 34110 1 166 . 1 1 27 27 VAL HG11 H 1 0.977 0.012 . 2 . . . A 27 VAL HG11 . 34110 1 167 . 1 1 27 27 VAL HG12 H 1 0.977 0.012 . 2 . . . A 27 VAL HG12 . 34110 1 168 . 1 1 27 27 VAL HG13 H 1 0.977 0.012 . 2 . . . A 27 VAL HG13 . 34110 1 169 . 1 1 27 27 VAL HG21 H 1 0.769 0.01 . 2 . . . A 27 VAL HG21 . 34110 1 170 . 1 1 27 27 VAL HG22 H 1 0.769 0.01 . 2 . . . A 27 VAL HG22 . 34110 1 171 . 1 1 27 27 VAL HG23 H 1 0.769 0.01 . 2 . . . A 27 VAL HG23 . 34110 1 172 . 1 1 27 27 VAL C C 13 177.527 0 . 1 . . . A 27 VAL C . 34110 1 173 . 1 1 27 27 VAL CA C 13 66.64 0.103 . 1 . . . A 27 VAL CA . 34110 1 174 . 1 1 27 27 VAL CG1 C 13 22.881 0.125 . 2 . . . A 27 VAL CG1 . 34110 1 175 . 1 1 27 27 VAL CG2 C 13 21.654 0.115 . 2 . . . A 27 VAL CG2 . 34110 1 176 . 1 1 27 27 VAL N N 15 120.808 0.08 . 1 . . . A 27 VAL N . 34110 1 177 . 1 1 28 28 ILE H H 1 8.457 0.004 . 1 . . . A 28 ILE H . 34110 1 178 . 1 1 28 28 ILE HA H 1 3.392 0.01 . 1 . . . A 28 ILE HA . 34110 1 179 . 1 1 28 28 ILE HB H 1 2.007 0.01 . 1 . . . A 28 ILE HB . 34110 1 180 . 1 1 28 28 ILE HG12 H 1 1.845 0.012 . 2 . . . A 28 ILE HG12 . 34110 1 181 . 1 1 28 28 ILE HG13 H 1 1.093 0.007 . 2 . . . A 28 ILE HG13 . 34110 1 182 . 1 1 28 28 ILE HG21 H 1 1.059 0.01 . 1 . . . A 28 ILE HG21 . 34110 1 183 . 1 1 28 28 ILE HG22 H 1 1.059 0.01 . 1 . . . A 28 ILE HG22 . 34110 1 184 . 1 1 28 28 ILE HG23 H 1 1.059 0.01 . 1 . . . A 28 ILE HG23 . 34110 1 185 . 1 1 28 28 ILE HD11 H 1 0.999 0.01 . 1 . . . A 28 ILE HD11 . 34110 1 186 . 1 1 28 28 ILE HD12 H 1 0.999 0.01 . 1 . . . A 28 ILE HD12 . 34110 1 187 . 1 1 28 28 ILE HD13 H 1 0.999 0.01 . 1 . . . A 28 ILE HD13 . 34110 1 188 . 1 1 28 28 ILE C C 13 176.502 0 . 1 . . . A 28 ILE C . 34110 1 189 . 1 1 28 28 ILE CA C 13 64.998 0.114 . 1 . . . A 28 ILE CA . 34110 1 190 . 1 1 28 28 ILE CB C 13 37.012 0.063 . 1 . . . A 28 ILE CB . 34110 1 191 . 1 1 28 28 ILE CG1 C 13 29.544 0.091 . 1 . . . A 28 ILE CG1 . 34110 1 192 . 1 1 28 28 ILE CG2 C 13 17.227 0.107 . 1 . . . A 28 ILE CG2 . 34110 1 193 . 1 1 28 28 ILE CD1 C 13 12.834 0.092 . 1 . . . A 28 ILE CD1 . 34110 1 194 . 1 1 28 28 ILE N N 15 119.502 0.069 . 1 . . . A 28 ILE N . 34110 1 195 . 1 1 29 29 ALA H H 1 7.733 0.008 . 1 . . . A 29 ALA H . 34110 1 196 . 1 1 29 29 ALA HA H 1 4.039 0.013 . 1 . . . A 29 ALA HA . 34110 1 197 . 1 1 29 29 ALA HB1 H 1 1.538 0.009 . 1 . . . A 29 ALA HB1 . 34110 1 198 . 1 1 29 29 ALA HB2 H 1 1.538 0.009 . 1 . . . A 29 ALA HB2 . 34110 1 199 . 1 1 29 29 ALA HB3 H 1 1.538 0.009 . 1 . . . A 29 ALA HB3 . 34110 1 200 . 1 1 29 29 ALA C C 13 180.326 0 . 1 . . . A 29 ALA C . 34110 1 201 . 1 1 29 29 ALA CA C 13 55.137 0.058 . 1 . . . A 29 ALA CA . 34110 1 202 . 1 1 29 29 ALA CB C 13 17.47 0.083 . 1 . . . A 29 ALA CB . 34110 1 203 . 1 1 29 29 ALA N N 15 120.991 0.06 . 1 . . . A 29 ALA N . 34110 1 204 . 1 1 30 30 PHE H H 1 7.78 0.006 . 1 . . . A 30 PHE H . 34110 1 205 . 1 1 30 30 PHE HA H 1 4.373 0.01 . 1 . . . A 30 PHE HA . 34110 1 206 . 1 1 30 30 PHE HB3 H 1 3.275 0.008 . 1 . . . A 30 PHE HB3 . 34110 1 207 . 1 1 30 30 PHE HD1 H 1 7.128 0.009 . 1 . . . A 30 PHE HD1 . 34110 1 208 . 1 1 30 30 PHE HD2 H 1 7.128 0.009 . 1 . . . A 30 PHE HD2 . 34110 1 209 . 1 1 30 30 PHE C C 13 176.916 0 . 1 . . . A 30 PHE C . 34110 1 210 . 1 1 30 30 PHE CA C 13 60.237 0.159 . 1 . . . A 30 PHE CA . 34110 1 211 . 1 1 30 30 PHE CB C 13 38.547 0.123 . 1 . . . A 30 PHE CB . 34110 1 212 . 1 1 30 30 PHE CD1 C 13 131.753 0.064 . 1 . . . A 30 PHE CD1 . 34110 1 213 . 1 1 30 30 PHE CD2 C 13 131.753 0.064 . 1 . . . A 30 PHE CD2 . 34110 1 214 . 1 1 30 30 PHE N N 15 119.452 0.055 . 1 . . . A 30 PHE N . 34110 1 215 . 1 1 31 31 LEU H H 1 8.583 0.008 . 1 . . . A 31 LEU H . 34110 1 216 . 1 1 31 31 LEU HA H 1 3.561 0.01 . 1 . . . A 31 LEU HA . 34110 1 217 . 1 1 31 31 LEU HB2 H 1 1.361 0.008 . 2 . . . A 31 LEU HB2 . 34110 1 218 . 1 1 31 31 LEU HB3 H 1 0.562 0.01 . 2 . . . A 31 LEU HB3 . 34110 1 219 . 1 1 31 31 LEU HG H 1 1.906 0.006 . 1 . . . A 31 LEU HG . 34110 1 220 . 1 1 31 31 LEU HD11 H 1 0.057 0.009 . 2 . . . A 31 LEU HD11 . 34110 1 221 . 1 1 31 31 LEU HD12 H 1 0.057 0.009 . 2 . . . A 31 LEU HD12 . 34110 1 222 . 1 1 31 31 LEU HD13 H 1 0.057 0.009 . 2 . . . A 31 LEU HD13 . 34110 1 223 . 1 1 31 31 LEU HD21 H 1 0.714 0.012 . 2 . . . A 31 LEU HD21 . 34110 1 224 . 1 1 31 31 LEU HD22 H 1 0.714 0.012 . 2 . . . A 31 LEU HD22 . 34110 1 225 . 1 1 31 31 LEU HD23 H 1 0.714 0.012 . 2 . . . A 31 LEU HD23 . 34110 1 226 . 1 1 31 31 LEU C C 13 178.222 0 . 1 . . . A 31 LEU C . 34110 1 227 . 1 1 31 31 LEU CA C 13 57.42 0.162 . 1 . . . A 31 LEU CA . 34110 1 228 . 1 1 31 31 LEU CB C 13 39.646 0.084 . 1 . . . A 31 LEU CB . 34110 1 229 . 1 1 31 31 LEU CG C 13 25.261 0.115 . 1 . . . A 31 LEU CG . 34110 1 230 . 1 1 31 31 LEU N N 15 120.572 0.077 . 1 . . . A 31 LEU N . 34110 1 231 . 1 1 32 32 ALA H H 1 8.353 0.006 . 1 . . . A 32 ALA H . 34110 1 232 . 1 1 32 32 ALA HA H 1 4.126 0.017 . 1 . . . A 32 ALA HA . 34110 1 233 . 1 1 32 32 ALA HB1 H 1 1.334 0.006 . 1 . . . A 32 ALA HB1 . 34110 1 234 . 1 1 32 32 ALA HB2 H 1 1.334 0.006 . 1 . . . A 32 ALA HB2 . 34110 1 235 . 1 1 32 32 ALA HB3 H 1 1.334 0.006 . 1 . . . A 32 ALA HB3 . 34110 1 236 . 1 1 32 32 ALA C C 13 178.294 0 . 1 . . . A 32 ALA C . 34110 1 237 . 1 1 32 32 ALA CA C 13 53.719 0.076 . 1 . . . A 32 ALA CA . 34110 1 238 . 1 1 32 32 ALA CB C 13 17.544 0.071 . 1 . . . A 32 ALA CB . 34110 1 239 . 1 1 32 32 ALA N N 15 119.135 0.058 . 1 . . . A 32 ALA N . 34110 1 240 . 1 1 33 33 GLU H H 1 7.264 0.005 . 1 . . . A 33 GLU H . 34110 1 241 . 1 1 33 33 GLU HA H 1 4.06 0.006 . 1 . . . A 33 GLU HA . 34110 1 242 . 1 1 33 33 GLU HB2 H 1 2.124 0 . 2 . . . A 33 GLU HB2 . 34110 1 243 . 1 1 33 33 GLU HB3 H 1 2.016 0.009 . 2 . . . A 33 GLU HB3 . 34110 1 244 . 1 1 33 33 GLU HG2 H 1 2.33 0.008 . 2 . . . A 33 GLU HG2 . 34110 1 245 . 1 1 33 33 GLU HG3 H 1 2.135 0.005 . 2 . . . A 33 GLU HG3 . 34110 1 246 . 1 1 33 33 GLU C C 13 178.13 0 . 1 . . . A 33 GLU C . 34110 1 247 . 1 1 33 33 GLU CA C 13 57.648 0.057 . 1 . . . A 33 GLU CA . 34110 1 248 . 1 1 33 33 GLU CB C 13 29.572 0.029 . 1 . . . A 33 GLU CB . 34110 1 249 . 1 1 33 33 GLU CG C 13 35.774 0.064 . 1 . . . A 33 GLU CG . 34110 1 250 . 1 1 33 33 GLU N N 15 116.559 0.048 . 1 . . . A 33 GLU N . 34110 1 251 . 1 1 34 34 ARG H H 1 7.98 0.005 . 1 . . . A 34 ARG H . 34110 1 252 . 1 1 34 34 ARG HA H 1 3.701 0.01 . 1 . . . A 34 ARG HA . 34110 1 253 . 1 1 34 34 ARG HB2 H 1 0.644 0.006 . 2 . . . A 34 ARG HB2 . 34110 1 254 . 1 1 34 34 ARG HB3 H 1 0.834 0.004 . 2 . . . A 34 ARG HB3 . 34110 1 255 . 1 1 34 34 ARG HG2 H 1 0.623 0.013 . 2 . . . A 34 ARG HG2 . 34110 1 256 . 1 1 34 34 ARG HD2 H 1 2.803 0.024 . 1 . . . A 34 ARG HD2 . 34110 1 257 . 1 1 34 34 ARG HE H 1 7.837 0.008 . 1 . . . A 34 ARG HE . 34110 1 258 . 1 1 34 34 ARG C C 13 176.083 0 . 1 . . . A 34 ARG C . 34110 1 259 . 1 1 34 34 ARG CA C 13 55.813 0.11 . 1 . . . A 34 ARG CA . 34110 1 260 . 1 1 34 34 ARG CB C 13 29.622 0.149 . 1 . . . A 34 ARG CB . 34110 1 261 . 1 1 34 34 ARG CG C 13 25.995 0.109 . 1 . . . A 34 ARG CG . 34110 1 262 . 1 1 34 34 ARG CD C 13 40.785 0.048 . 1 . . . A 34 ARG CD . 34110 1 263 . 1 1 34 34 ARG N N 15 118.669 0.067 . 1 . . . A 34 ARG N . 34110 1 264 . 1 1 34 34 ARG NE N 15 84.256 0.062 . 1 . . . A 34 ARG NE . 34110 1 265 . 1 1 35 35 PHE H H 1 8.305 0.008 . 1 . . . A 35 PHE H . 34110 1 266 . 1 1 35 35 PHE HA H 1 5.292 0.005 . 1 . . . A 35 PHE HA . 34110 1 267 . 1 1 35 35 PHE HB2 H 1 3.313 0.015 . 2 . . . A 35 PHE HB2 . 34110 1 268 . 1 1 35 35 PHE HB3 H 1 3.741 0.009 . 2 . . . A 35 PHE HB3 . 34110 1 269 . 1 1 35 35 PHE HD1 H 1 7.31 0.01 . 1 . . . A 35 PHE HD1 . 34110 1 270 . 1 1 35 35 PHE HD2 H 1 7.31 0.01 . 1 . . . A 35 PHE HD2 . 34110 1 271 . 1 1 35 35 PHE HE1 H 1 7.071 0.009 . 1 . . . A 35 PHE HE1 . 34110 1 272 . 1 1 35 35 PHE HE2 H 1 7.071 0.009 . 1 . . . A 35 PHE HE2 . 34110 1 273 . 1 1 35 35 PHE HZ H 1 6.962 0.011 . 1 . . . A 35 PHE HZ . 34110 1 274 . 1 1 35 35 PHE CA C 13 54.377 0.152 . 1 . . . A 35 PHE CA . 34110 1 275 . 1 1 35 35 PHE CB C 13 37.994 0.11 . 1 . . . A 35 PHE CB . 34110 1 276 . 1 1 35 35 PHE CD1 C 13 132.747 0.158 . 1 . . . A 35 PHE CD1 . 34110 1 277 . 1 1 35 35 PHE CD2 C 13 132.747 0.158 . 1 . . . A 35 PHE CD2 . 34110 1 278 . 1 1 35 35 PHE CE1 C 13 130.112 0.083 . 1 . . . A 35 PHE CE1 . 34110 1 279 . 1 1 35 35 PHE CE2 C 13 130.112 0.083 . 1 . . . A 35 PHE CE2 . 34110 1 280 . 1 1 35 35 PHE CZ C 13 127.909 0.105 . 1 . . . A 35 PHE CZ . 34110 1 281 . 1 1 35 35 PHE N N 15 115.828 0.074 . 1 . . . A 35 PHE N . 34110 1 282 . 1 1 36 36 PRO HA H 1 4.927 0.006 . 1 . . . A 36 PRO HA . 34110 1 283 . 1 1 36 36 PRO HB2 H 1 2.356 0.01 . 2 . . . A 36 PRO HB2 . 34110 1 284 . 1 1 36 36 PRO HB3 H 1 1.812 0.002 . 2 . . . A 36 PRO HB3 . 34110 1 285 . 1 1 36 36 PRO HG2 H 1 1.936 0 . 2 . . . A 36 PRO HG2 . 34110 1 286 . 1 1 36 36 PRO HG3 H 1 1.266 0.004 . 2 . . . A 36 PRO HG3 . 34110 1 287 . 1 1 36 36 PRO HD2 H 1 3.244 0.008 . 2 . . . A 36 PRO HD2 . 34110 1 288 . 1 1 36 36 PRO HD3 H 1 3.497 0.008 . 2 . . . A 36 PRO HD3 . 34110 1 289 . 1 1 36 36 PRO C C 13 178.185 0 . 1 . . . A 36 PRO C . 34110 1 290 . 1 1 36 36 PRO CA C 13 64.368 0.144 . 1 . . . A 36 PRO CA . 34110 1 291 . 1 1 36 36 PRO CB C 13 31.77 0.11 . 1 . . . A 36 PRO CB . 34110 1 292 . 1 1 36 36 PRO CG C 13 26.446 0.045 . 1 . . . A 36 PRO CG . 34110 1 293 . 1 1 36 36 PRO CD C 13 49.898 0.092 . 1 . . . A 36 PRO CD . 34110 1 294 . 1 1 37 37 HIS H H 1 8.605 0.007 . 1 . . . A 37 HIS H . 34110 1 295 . 1 1 37 37 HIS HA H 1 4.841 0.018 . 1 . . . A 37 HIS HA . 34110 1 296 . 1 1 37 37 HIS HB2 H 1 3.436 0.008 . 2 . . . A 37 HIS HB2 . 34110 1 297 . 1 1 37 37 HIS HB3 H 1 2.944 0.003 . 2 . . . A 37 HIS HB3 . 34110 1 298 . 1 1 37 37 HIS HD2 H 1 7.261 0.016 . 1 . . . A 37 HIS HD2 . 34110 1 299 . 1 1 37 37 HIS C C 13 172.363 0 . 1 . . . A 37 HIS C . 34110 1 300 . 1 1 37 37 HIS CA C 13 54.501 0.098 . 1 . . . A 37 HIS CA . 34110 1 301 . 1 1 37 37 HIS CB C 13 27.914 0.047 . 1 . . . A 37 HIS CB . 34110 1 302 . 1 1 37 37 HIS N N 15 116.251 0.075 . 1 . . . A 37 HIS N . 34110 1 303 . 1 1 38 38 CYS H H 1 8.081 0.015 . 1 . . . A 38 CYS H . 34110 1 304 . 1 1 38 38 CYS HA H 1 4.372 0.017 . 1 . . . A 38 CYS HA . 34110 1 305 . 1 1 38 38 CYS HB2 H 1 2.568 0.009 . 2 . . . A 38 CYS HB2 . 34110 1 306 . 1 1 38 38 CYS HB3 H 1 2.905 0.011 . 2 . . . A 38 CYS HB3 . 34110 1 307 . 1 1 38 38 CYS C C 13 173.616 0 . 1 . . . A 38 CYS C . 34110 1 308 . 1 1 38 38 CYS CA C 13 59.72 0.126 . 1 . . . A 38 CYS CA . 34110 1 309 . 1 1 38 38 CYS CB C 13 29.535 0.035 . 1 . . . A 38 CYS CB . 34110 1 310 . 1 1 38 38 CYS N N 15 119.044 0.093 . 1 . . . A 38 CYS N . 34110 1 311 . 1 1 39 39 PHE H H 1 7.92 0.006 . 1 . . . A 39 PHE H . 34110 1 312 . 1 1 39 39 PHE HA H 1 4.546 0.011 . 1 . . . A 39 PHE HA . 34110 1 313 . 1 1 39 39 PHE HB3 H 1 2.59 0.011 . 1 . . . A 39 PHE HB3 . 34110 1 314 . 1 1 39 39 PHE HD1 H 1 6.746 0.007 . 1 . . . A 39 PHE HD1 . 34110 1 315 . 1 1 39 39 PHE HD2 H 1 6.746 0.007 . 1 . . . A 39 PHE HD2 . 34110 1 316 . 1 1 39 39 PHE HE1 H 1 6.633 0.009 . 1 . . . A 39 PHE HE1 . 34110 1 317 . 1 1 39 39 PHE HE2 H 1 6.633 0.009 . 1 . . . A 39 PHE HE2 . 34110 1 318 . 1 1 39 39 PHE HZ H 1 6.767 0.009 . 1 . . . A 39 PHE HZ . 34110 1 319 . 1 1 39 39 PHE C C 13 173.787 0 . 1 . . . A 39 PHE C . 34110 1 320 . 1 1 39 39 PHE CA C 13 57.375 0.085 . 1 . . . A 39 PHE CA . 34110 1 321 . 1 1 39 39 PHE CB C 13 40.324 0.122 . 1 . . . A 39 PHE CB . 34110 1 322 . 1 1 39 39 PHE CD1 C 13 130.838 0.202 . 1 . . . A 39 PHE CD1 . 34110 1 323 . 1 1 39 39 PHE CD2 C 13 130.838 0.202 . 1 . . . A 39 PHE CD2 . 34110 1 324 . 1 1 39 39 PHE CE1 C 13 131.182 0.058 . 1 . . . A 39 PHE CE1 . 34110 1 325 . 1 1 39 39 PHE CE2 C 13 131.182 0.058 . 1 . . . A 39 PHE CE2 . 34110 1 326 . 1 1 39 39 PHE CZ C 13 127.964 0.059 . 1 . . . A 39 PHE CZ . 34110 1 327 . 1 1 39 39 PHE N N 15 116.485 0.075 . 1 . . . A 39 PHE N . 34110 1 328 . 1 1 40 40 SER H H 1 8.347 0.006 . 1 . . . A 40 SER H . 34110 1 329 . 1 1 40 40 SER HA H 1 4.831 0.016 . 1 . . . A 40 SER HA . 34110 1 330 . 1 1 40 40 SER HB2 H 1 3.976 0.011 . 2 . . . A 40 SER HB2 . 34110 1 331 . 1 1 40 40 SER HB3 H 1 4.086 0.012 . 2 . . . A 40 SER HB3 . 34110 1 332 . 1 1 40 40 SER C C 13 174.536 0 . 1 . . . A 40 SER C . 34110 1 333 . 1 1 40 40 SER CA C 13 55.974 0.048 . 1 . . . A 40 SER CA . 34110 1 334 . 1 1 40 40 SER CB C 13 65.346 0.104 . 1 . . . A 40 SER CB . 34110 1 335 . 1 1 40 40 SER N N 15 111.329 0.065 . 1 . . . A 40 SER N . 34110 1 336 . 1 1 41 41 ALA H H 1 9.325 0.006 . 1 . . . A 41 ALA H . 34110 1 337 . 1 1 41 41 ALA HA H 1 4.398 0.011 . 1 . . . A 41 ALA HA . 34110 1 338 . 1 1 41 41 ALA HB1 H 1 1.462 0.011 . 1 . . . A 41 ALA HB1 . 34110 1 339 . 1 1 41 41 ALA HB2 H 1 1.462 0.011 . 1 . . . A 41 ALA HB2 . 34110 1 340 . 1 1 41 41 ALA HB3 H 1 1.462 0.011 . 1 . . . A 41 ALA HB3 . 34110 1 341 . 1 1 41 41 ALA C C 13 176.68 0 . 1 . . . A 41 ALA C . 34110 1 342 . 1 1 41 41 ALA CA C 13 52.806 0.072 . 1 . . . A 41 ALA CA . 34110 1 343 . 1 1 41 41 ALA CB C 13 19.32 0.065 . 1 . . . A 41 ALA CB . 34110 1 344 . 1 1 41 41 ALA N N 15 126.371 0.091 . 1 . . . A 41 ALA N . 34110 1 345 . 1 1 42 42 GLU H H 1 7.831 0.008 . 1 . . . A 42 GLU H . 34110 1 346 . 1 1 42 42 GLU HA H 1 4.444 0.008 . 1 . . . A 42 GLU HA . 34110 1 347 . 1 1 42 42 GLU HB2 H 1 2.161 0.02 . 2 . . . A 42 GLU HB2 . 34110 1 348 . 1 1 42 42 GLU HB3 H 1 1.937 0.013 . 2 . . . A 42 GLU HB3 . 34110 1 349 . 1 1 42 42 GLU HG2 H 1 2.182 0.003 . 1 . . . A 42 GLU HG2 . 34110 1 350 . 1 1 42 42 GLU C C 13 175.2 0 . 1 . . . A 42 GLU C . 34110 1 351 . 1 1 42 42 GLU CA C 13 54.404 0.113 . 1 . . . A 42 GLU CA . 34110 1 352 . 1 1 42 42 GLU CB C 13 32.066 0.108 . 1 . . . A 42 GLU CB . 34110 1 353 . 1 1 42 42 GLU CG C 13 34.948 0.061 . 1 . . . A 42 GLU CG . 34110 1 354 . 1 1 42 42 GLU N N 15 114.15 0.046 . 1 . . . A 42 GLU N . 34110 1 355 . 1 1 43 43 GLY H H 1 8.671 0.007 . 1 . . . A 43 GLY H . 34110 1 356 . 1 1 43 43 GLY HA2 H 1 3.888 0.007 . 2 . . . A 43 GLY HA2 . 34110 1 357 . 1 1 43 43 GLY HA3 H 1 4.123 0.009 . 2 . . . A 43 GLY HA3 . 34110 1 358 . 1 1 43 43 GLY C C 13 173.797 0 . 1 . . . A 43 GLY C . 34110 1 359 . 1 1 43 43 GLY CA C 13 44.323 0.086 . 1 . . . A 43 GLY CA . 34110 1 360 . 1 1 43 43 GLY N N 15 108.553 0.047 . 1 . . . A 43 GLY N . 34110 1 361 . 1 1 44 44 GLU H H 1 8.468 0.003 . 1 . . . A 44 GLU H . 34110 1 362 . 1 1 44 44 GLU HA H 1 4.134 0.008 . 1 . . . A 44 GLU HA . 34110 1 363 . 1 1 44 44 GLU HB2 H 1 1.947 0.004 . 1 . . . A 44 GLU HB2 . 34110 1 364 . 1 1 44 44 GLU HG2 H 1 2.226 0.018 . 1 . . . A 44 GLU HG2 . 34110 1 365 . 1 1 44 44 GLU C C 13 176.185 0 . 1 . . . A 44 GLU C . 34110 1 366 . 1 1 44 44 GLU CA C 13 57.219 0.075 . 1 . . . A 44 GLU CA . 34110 1 367 . 1 1 44 44 GLU CB C 13 29.97 0.077 . 1 . . . A 44 GLU CB . 34110 1 368 . 1 1 44 44 GLU CG C 13 36.035 0.119 . 1 . . . A 44 GLU CG . 34110 1 369 . 1 1 44 44 GLU N N 15 121.058 0.064 . 1 . . . A 44 GLU N . 34110 1 370 . 1 1 45 45 ALA H H 1 8.234 0.007 . 1 . . . A 45 ALA H . 34110 1 371 . 1 1 45 45 ALA HA H 1 4.615 0.011 . 1 . . . A 45 ALA HA . 34110 1 372 . 1 1 45 45 ALA HB1 H 1 1.248 0.005 . 1 . . . A 45 ALA HB1 . 34110 1 373 . 1 1 45 45 ALA HB2 H 1 1.248 0.005 . 1 . . . A 45 ALA HB2 . 34110 1 374 . 1 1 45 45 ALA HB3 H 1 1.248 0.005 . 1 . . . A 45 ALA HB3 . 34110 1 375 . 1 1 45 45 ALA C C 13 175.6 0 . 1 . . . A 45 ALA C . 34110 1 376 . 1 1 45 45 ALA CA C 13 50.436 0.091 . 1 . . . A 45 ALA CA . 34110 1 377 . 1 1 45 45 ALA CB C 13 20.425 0.099 . 1 . . . A 45 ALA CB . 34110 1 378 . 1 1 45 45 ALA N N 15 128.014 0.09 . 1 . . . A 45 ALA N . 34110 1 379 . 1 1 46 46 ARG H H 1 7.87 0.004 . 1 . . . A 46 ARG H . 34110 1 380 . 1 1 46 46 ARG HA H 1 4.713 0.009 . 1 . . . A 46 ARG HA . 34110 1 381 . 1 1 46 46 ARG HD2 H 1 2.828 0.002 . 2 . . . A 46 ARG HD2 . 34110 1 382 . 1 1 46 46 ARG HD3 H 1 2.735 0 . 2 . . . A 46 ARG HD3 . 34110 1 383 . 1 1 46 46 ARG CA C 13 52.936 0.081 . 1 . . . A 46 ARG CA . 34110 1 384 . 1 1 46 46 ARG CB C 13 30.911 0 . 1 . . . A 46 ARG CB . 34110 1 385 . 1 1 46 46 ARG N N 15 119.96 0.043 . 1 . . . A 46 ARG N . 34110 1 386 . 1 1 47 47 PRO HB2 H 1 1.69 0.013 . 2 . . . A 47 PRO HB2 . 34110 1 387 . 1 1 47 47 PRO HB3 H 1 2.357 0.022 . 2 . . . A 47 PRO HB3 . 34110 1 388 . 1 1 47 47 PRO C C 13 175.089 0 . 1 . . . A 47 PRO C . 34110 1 389 . 1 1 47 47 PRO CA C 13 61.997 0.066 . 1 . . . A 47 PRO CA . 34110 1 390 . 1 1 47 47 PRO CB C 13 31.421 0.068 . 1 . . . A 47 PRO CB . 34110 1 391 . 1 1 48 48 LEU H H 1 8.161 0.005 . 1 . . . A 48 LEU H . 34110 1 392 . 1 1 48 48 LEU HA H 1 4.628 0.03 . 1 . . . A 48 LEU HA . 34110 1 393 . 1 1 48 48 LEU HB2 H 1 1.387 0.008 . 2 . . . A 48 LEU HB2 . 34110 1 394 . 1 1 48 48 LEU HB3 H 1 1.88 0.012 . 2 . . . A 48 LEU HB3 . 34110 1 395 . 1 1 48 48 LEU HG H 1 2.179 0.007 . 1 . . . A 48 LEU HG . 34110 1 396 . 1 1 48 48 LEU HD11 H 1 0.472 0.011 . 2 . . . A 48 LEU HD11 . 34110 1 397 . 1 1 48 48 LEU HD12 H 1 0.472 0.011 . 2 . . . A 48 LEU HD12 . 34110 1 398 . 1 1 48 48 LEU HD13 H 1 0.472 0.011 . 2 . . . A 48 LEU HD13 . 34110 1 399 . 1 1 48 48 LEU HD21 H 1 0.922 0.021 . 2 . . . A 48 LEU HD21 . 34110 1 400 . 1 1 48 48 LEU HD22 H 1 0.922 0.021 . 2 . . . A 48 LEU HD22 . 34110 1 401 . 1 1 48 48 LEU HD23 H 1 0.922 0.021 . 2 . . . A 48 LEU HD23 . 34110 1 402 . 1 1 48 48 LEU C C 13 177.753 0 . 1 . . . A 48 LEU C . 34110 1 403 . 1 1 48 48 LEU CA C 13 53.692 0.131 . 1 . . . A 48 LEU CA . 34110 1 404 . 1 1 48 48 LEU CB C 13 44.027 0.067 . 1 . . . A 48 LEU CB . 34110 1 405 . 1 1 48 48 LEU CG C 13 26.749 0.105 . 1 . . . A 48 LEU CG . 34110 1 406 . 1 1 48 48 LEU N N 15 119.09 0.082 . 1 . . . A 48 LEU N . 34110 1 407 . 1 1 49 49 LYS H H 1 7.997 0.006 . 1 . . . A 49 LYS H . 34110 1 408 . 1 1 49 49 LYS HA H 1 3.733 0.014 . 1 . . . A 49 LYS HA . 34110 1 409 . 1 1 49 49 LYS HB2 H 1 1.379 0.009 . 2 . . . A 49 LYS HB2 . 34110 1 410 . 1 1 49 49 LYS HB3 H 1 1.804 0.013 . 2 . . . A 49 LYS HB3 . 34110 1 411 . 1 1 49 49 LYS C C 13 175.834 0 . 1 . . . A 49 LYS C . 34110 1 412 . 1 1 49 49 LYS CA C 13 56.505 0.12 . 1 . . . A 49 LYS CA . 34110 1 413 . 1 1 49 49 LYS CB C 13 35.099 0.092 . 1 . . . A 49 LYS CB . 34110 1 414 . 1 1 49 49 LYS N N 15 120.822 0.072 . 1 . . . A 49 LYS N . 34110 1 415 . 1 1 50 50 ILE H H 1 8.639 0.008 . 1 . . . A 50 ILE H . 34110 1 416 . 1 1 50 50 ILE HA H 1 4.002 0.011 . 1 . . . A 50 ILE HA . 34110 1 417 . 1 1 50 50 ILE HB H 1 1.828 0.008 . 1 . . . A 50 ILE HB . 34110 1 418 . 1 1 50 50 ILE HG12 H 1 1.532 0.005 . 2 . . . A 50 ILE HG12 . 34110 1 419 . 1 1 50 50 ILE HG13 H 1 1.207 0.009 . 2 . . . A 50 ILE HG13 . 34110 1 420 . 1 1 50 50 ILE HG21 H 1 0.943 0.009 . 1 . . . A 50 ILE HG21 . 34110 1 421 . 1 1 50 50 ILE HG22 H 1 0.943 0.009 . 1 . . . A 50 ILE HG22 . 34110 1 422 . 1 1 50 50 ILE HG23 H 1 0.943 0.009 . 1 . . . A 50 ILE HG23 . 34110 1 423 . 1 1 50 50 ILE HD11 H 1 0.859 0.007 . 1 . . . A 50 ILE HD11 . 34110 1 424 . 1 1 50 50 ILE HD12 H 1 0.859 0.007 . 1 . . . A 50 ILE HD12 . 34110 1 425 . 1 1 50 50 ILE HD13 H 1 0.859 0.007 . 1 . . . A 50 ILE HD13 . 34110 1 426 . 1 1 50 50 ILE C C 13 177.581 0 . 1 . . . A 50 ILE C . 34110 1 427 . 1 1 50 50 ILE CA C 13 62.441 0.051 . 1 . . . A 50 ILE CA . 34110 1 428 . 1 1 50 50 ILE CB C 13 36.098 0.111 . 1 . . . A 50 ILE CB . 34110 1 429 . 1 1 50 50 ILE CG1 C 13 27.398 0.078 . 1 . . . A 50 ILE CG1 . 34110 1 430 . 1 1 50 50 ILE CG2 C 13 16.52 0.098 . 1 . . . A 50 ILE CG2 . 34110 1 431 . 1 1 50 50 ILE CD1 C 13 11.45 0.076 . 1 . . . A 50 ILE CD1 . 34110 1 432 . 1 1 50 50 ILE N N 15 128.518 0.091 . 1 . . . A 50 ILE N . 34110 1 433 . 1 1 51 51 GLY H H 1 9.027 0.007 . 1 . . . A 51 GLY H . 34110 1 434 . 1 1 51 51 GLY HA2 H 1 4.281 0.014 . 2 . . . A 51 GLY HA2 . 34110 1 435 . 1 1 51 51 GLY HA3 H 1 4.091 0.009 . 2 . . . A 51 GLY HA3 . 34110 1 436 . 1 1 51 51 GLY C C 13 175.923 0 . 1 . . . A 51 GLY C . 34110 1 437 . 1 1 51 51 GLY CA C 13 45.321 0.063 . 1 . . . A 51 GLY CA . 34110 1 438 . 1 1 51 51 GLY N N 15 116.111 0.072 . 1 . . . A 51 GLY N . 34110 1 439 . 1 1 52 52 ILE H H 1 7.418 0.006 . 1 . . . A 52 ILE H . 34110 1 440 . 1 1 52 52 ILE HA H 1 4.028 0.011 . 1 . . . A 52 ILE HA . 34110 1 441 . 1 1 52 52 ILE HB H 1 2.37 0.009 . 1 . . . A 52 ILE HB . 34110 1 442 . 1 1 52 52 ILE HG12 H 1 1.6 0.013 . 2 . . . A 52 ILE HG12 . 34110 1 443 . 1 1 52 52 ILE HG13 H 1 1.396 0.009 . 2 . . . A 52 ILE HG13 . 34110 1 444 . 1 1 52 52 ILE HG21 H 1 1.074 0.009 . 1 . . . A 52 ILE HG21 . 34110 1 445 . 1 1 52 52 ILE HG22 H 1 1.074 0.009 . 1 . . . A 52 ILE HG22 . 34110 1 446 . 1 1 52 52 ILE HG23 H 1 1.074 0.009 . 1 . . . A 52 ILE HG23 . 34110 1 447 . 1 1 52 52 ILE HD11 H 1 0.941 0.004 . 1 . . . A 52 ILE HD11 . 34110 1 448 . 1 1 52 52 ILE HD12 H 1 0.941 0.004 . 1 . . . A 52 ILE HD12 . 34110 1 449 . 1 1 52 52 ILE HD13 H 1 0.941 0.004 . 1 . . . A 52 ILE HD13 . 34110 1 450 . 1 1 52 52 ILE C C 13 175.169 0 . 1 . . . A 52 ILE C . 34110 1 451 . 1 1 52 52 ILE CA C 13 62.409 0.081 . 1 . . . A 52 ILE CA . 34110 1 452 . 1 1 52 52 ILE CB C 13 37.677 0.092 . 1 . . . A 52 ILE CB . 34110 1 453 . 1 1 52 52 ILE CG1 C 13 29.568 0.085 . 1 . . . A 52 ILE CG1 . 34110 1 454 . 1 1 52 52 ILE CG2 C 13 17.413 0.063 . 1 . . . A 52 ILE CG2 . 34110 1 455 . 1 1 52 52 ILE CD1 C 13 15.436 0.106 . 1 . . . A 52 ILE CD1 . 34110 1 456 . 1 1 52 52 ILE N N 15 120.509 0.078 . 1 . . . A 52 ILE N . 34110 1 457 . 1 1 53 53 PHE H H 1 8.865 0.005 . 1 . . . A 53 PHE H . 34110 1 458 . 1 1 53 53 PHE HA H 1 4.048 0.007 . 1 . . . A 53 PHE HA . 34110 1 459 . 1 1 53 53 PHE HB2 H 1 3.256 0.013 . 2 . . . A 53 PHE HB2 . 34110 1 460 . 1 1 53 53 PHE HB3 H 1 2.974 0.012 . 2 . . . A 53 PHE HB3 . 34110 1 461 . 1 1 53 53 PHE HD1 H 1 7.1 0.011 . 1 . . . A 53 PHE HD1 . 34110 1 462 . 1 1 53 53 PHE HD2 H 1 7.1 0.011 . 1 . . . A 53 PHE HD2 . 34110 1 463 . 1 1 53 53 PHE HE1 H 1 7.265 0.01 . 1 . . . A 53 PHE HE1 . 34110 1 464 . 1 1 53 53 PHE HE2 H 1 7.265 0.01 . 1 . . . A 53 PHE HE2 . 34110 1 465 . 1 1 53 53 PHE HZ H 1 7.154 0.01 . 1 . . . A 53 PHE HZ . 34110 1 466 . 1 1 53 53 PHE C C 13 175.826 0 . 1 . . . A 53 PHE C . 34110 1 467 . 1 1 53 53 PHE CA C 13 61.872 0.095 . 1 . . . A 53 PHE CA . 34110 1 468 . 1 1 53 53 PHE CB C 13 38.544 0.127 . 1 . . . A 53 PHE CB . 34110 1 469 . 1 1 53 53 PHE CD1 C 13 130.813 0.081 . 1 . . . A 53 PHE CD1 . 34110 1 470 . 1 1 53 53 PHE CD2 C 13 130.813 0.081 . 1 . . . A 53 PHE CD2 . 34110 1 471 . 1 1 53 53 PHE CE1 C 13 130.755 0.102 . 1 . . . A 53 PHE CE1 . 34110 1 472 . 1 1 53 53 PHE CE2 C 13 130.755 0.102 . 1 . . . A 53 PHE CE2 . 34110 1 473 . 1 1 53 53 PHE CZ C 13 128.796 0.102 . 1 . . . A 53 PHE CZ . 34110 1 474 . 1 1 53 53 PHE N N 15 122.397 0.087 . 1 . . . A 53 PHE N . 34110 1 475 . 1 1 54 54 GLN H H 1 7.832 0.007 . 1 . . . A 54 GLN H . 34110 1 476 . 1 1 54 54 GLN HA H 1 3.593 0.005 . 1 . . . A 54 GLN HA . 34110 1 477 . 1 1 54 54 GLN HB2 H 1 2.075 0.008 . 2 . . . A 54 GLN HB2 . 34110 1 478 . 1 1 54 54 GLN HB3 H 1 2.249 0.008 . 2 . . . A 54 GLN HB3 . 34110 1 479 . 1 1 54 54 GLN HG2 H 1 2.487 0.014 . 1 . . . A 54 GLN HG2 . 34110 1 480 . 1 1 54 54 GLN HE21 H 1 6.803 0.005 . 1 . . . A 54 GLN HE21 . 34110 1 481 . 1 1 54 54 GLN HE22 H 1 7.852 0.004 . 1 . . . A 54 GLN HE22 . 34110 1 482 . 1 1 54 54 GLN C C 13 177.434 0 . 1 . . . A 54 GLN C . 34110 1 483 . 1 1 54 54 GLN CA C 13 57.938 0.082 . 1 . . . A 54 GLN CA . 34110 1 484 . 1 1 54 54 GLN CB C 13 27.633 0.136 . 1 . . . A 54 GLN CB . 34110 1 485 . 1 1 54 54 GLN CG C 13 33.526 0.126 . 1 . . . A 54 GLN CG . 34110 1 486 . 1 1 54 54 GLN N N 15 116.519 0.091 . 1 . . . A 54 GLN N . 34110 1 487 . 1 1 54 54 GLN NE2 N 15 114.549 0.051 . 1 . . . A 54 GLN NE2 . 34110 1 488 . 1 1 55 55 ASP H H 1 6.995 0.009 . 1 . . . A 55 ASP H . 34110 1 489 . 1 1 55 55 ASP HA H 1 4.267 0.007 . 1 . . . A 55 ASP HA . 34110 1 490 . 1 1 55 55 ASP HB2 H 1 2.655 0.009 . 2 . . . A 55 ASP HB2 . 34110 1 491 . 1 1 55 55 ASP HB3 H 1 2.822 0.012 . 2 . . . A 55 ASP HB3 . 34110 1 492 . 1 1 55 55 ASP C C 13 178.037 0 . 1 . . . A 55 ASP C . 34110 1 493 . 1 1 55 55 ASP CA C 13 56.64 0.127 . 1 . . . A 55 ASP CA . 34110 1 494 . 1 1 55 55 ASP CB C 13 39.436 0.136 . 1 . . . A 55 ASP CB . 34110 1 495 . 1 1 55 55 ASP N N 15 117.605 0.066 . 1 . . . A 55 ASP N . 34110 1 496 . 1 1 56 56 LEU H H 1 8.202 0.006 . 1 . . . A 56 LEU H . 34110 1 497 . 1 1 56 56 LEU HA H 1 3.798 0.006 . 1 . . . A 56 LEU HA . 34110 1 498 . 1 1 56 56 LEU HB2 H 1 1.882 0.008 . 2 . . . A 56 LEU HB2 . 34110 1 499 . 1 1 56 56 LEU HB3 H 1 1.532 0.012 . 2 . . . A 56 LEU HB3 . 34110 1 500 . 1 1 56 56 LEU HG H 1 1.646 0.007 . 1 . . . A 56 LEU HG . 34110 1 501 . 1 1 56 56 LEU HD11 H 1 0.836 0.006 . 2 . . . A 56 LEU HD11 . 34110 1 502 . 1 1 56 56 LEU HD12 H 1 0.836 0.006 . 2 . . . A 56 LEU HD12 . 34110 1 503 . 1 1 56 56 LEU HD13 H 1 0.836 0.006 . 2 . . . A 56 LEU HD13 . 34110 1 504 . 1 1 56 56 LEU HD21 H 1 0.935 0.012 . 2 . . . A 56 LEU HD21 . 34110 1 505 . 1 1 56 56 LEU HD22 H 1 0.935 0.012 . 2 . . . A 56 LEU HD22 . 34110 1 506 . 1 1 56 56 LEU HD23 H 1 0.935 0.012 . 2 . . . A 56 LEU HD23 . 34110 1 507 . 1 1 56 56 LEU C C 13 178.125 0 . 1 . . . A 56 LEU C . 34110 1 508 . 1 1 56 56 LEU CA C 13 57.564 0.096 . 1 . . . A 56 LEU CA . 34110 1 509 . 1 1 56 56 LEU CB C 13 42.426 0.123 . 1 . . . A 56 LEU CB . 34110 1 510 . 1 1 56 56 LEU CD1 C 13 26.371 0.116 . 2 . . . A 56 LEU CD1 . 34110 1 511 . 1 1 56 56 LEU CD2 C 13 25.831 0.119 . 2 . . . A 56 LEU CD2 . 34110 1 512 . 1 1 56 56 LEU N N 15 119.701 0.103 . 1 . . . A 56 LEU N . 34110 1 513 . 1 1 57 57 VAL H H 1 8.054 0.01 . 1 . . . A 57 VAL H . 34110 1 514 . 1 1 57 57 VAL HA H 1 3.211 0.009 . 1 . . . A 57 VAL HA . 34110 1 515 . 1 1 57 57 VAL HB H 1 1.874 0.006 . 1 . . . A 57 VAL HB . 34110 1 516 . 1 1 57 57 VAL HG11 H 1 0.343 0.009 . 2 . . . A 57 VAL HG11 . 34110 1 517 . 1 1 57 57 VAL HG12 H 1 0.343 0.009 . 2 . . . A 57 VAL HG12 . 34110 1 518 . 1 1 57 57 VAL HG13 H 1 0.343 0.009 . 2 . . . A 57 VAL HG13 . 34110 1 519 . 1 1 57 57 VAL HG21 H 1 0.784 0.007 . 2 . . . A 57 VAL HG21 . 34110 1 520 . 1 1 57 57 VAL HG22 H 1 0.784 0.007 . 2 . . . A 57 VAL HG22 . 34110 1 521 . 1 1 57 57 VAL HG23 H 1 0.784 0.007 . 2 . . . A 57 VAL HG23 . 34110 1 522 . 1 1 57 57 VAL C C 13 178.475 0 . 1 . . . A 57 VAL C . 34110 1 523 . 1 1 57 57 VAL CA C 13 66.145 0.113 . 1 . . . A 57 VAL CA . 34110 1 524 . 1 1 57 57 VAL CB C 13 31.034 0.044 . 1 . . . A 57 VAL CB . 34110 1 525 . 1 1 57 57 VAL CG1 C 13 23.046 0.088 . 2 . . . A 57 VAL CG1 . 34110 1 526 . 1 1 57 57 VAL CG2 C 13 21.08 0.093 . 2 . . . A 57 VAL CG2 . 34110 1 527 . 1 1 57 57 VAL N N 15 119.378 0.105 . 1 . . . A 57 VAL N . 34110 1 528 . 1 1 58 58 ASP H H 1 7.949 0.007 . 1 . . . A 58 ASP H . 34110 1 529 . 1 1 58 58 ASP HA H 1 4.359 0.005 . 1 . . . A 58 ASP HA . 34110 1 530 . 1 1 58 58 ASP HB2 H 1 2.697 0.003 . 2 . . . A 58 ASP HB2 . 34110 1 531 . 1 1 58 58 ASP HB3 H 1 2.788 0.018 . 2 . . . A 58 ASP HB3 . 34110 1 532 . 1 1 58 58 ASP C C 13 178.109 0 . 1 . . . A 58 ASP C . 34110 1 533 . 1 1 58 58 ASP CA C 13 56.806 0.112 . 1 . . . A 58 ASP CA . 34110 1 534 . 1 1 58 58 ASP CB C 13 40.405 0.082 . 1 . . . A 58 ASP CB . 34110 1 535 . 1 1 58 58 ASP N N 15 117.698 0.081 . 1 . . . A 58 ASP N . 34110 1 536 . 1 1 59 59 ARG H H 1 8.093 0.008 . 1 . . . A 59 ARG H . 34110 1 537 . 1 1 59 59 ARG HA H 1 4.402 0.012 . 1 . . . A 59 ARG HA . 34110 1 538 . 1 1 59 59 ARG HB2 H 1 1.879 0.009 . 1 . . . A 59 ARG HB2 . 34110 1 539 . 1 1 59 59 ARG HD2 H 1 3.237 0.004 . 1 . . . A 59 ARG HD2 . 34110 1 540 . 1 1 59 59 ARG HE H 1 7.453 0.003 . 1 . . . A 59 ARG HE . 34110 1 541 . 1 1 59 59 ARG C C 13 178.252 0 . 1 . . . A 59 ARG C . 34110 1 542 . 1 1 59 59 ARG CA C 13 57.56 0.077 . 1 . . . A 59 ARG CA . 34110 1 543 . 1 1 59 59 ARG CB C 13 31.294 0.043 . 1 . . . A 59 ARG CB . 34110 1 544 . 1 1 59 59 ARG CG C 13 26.953 0.11 . 1 . . . A 59 ARG CG . 34110 1 545 . 1 1 59 59 ARG CD C 13 42.353 0.065 . 1 . . . A 59 ARG CD . 34110 1 546 . 1 1 59 59 ARG N N 15 115.999 0.047 . 1 . . . A 59 ARG N . 34110 1 547 . 1 1 59 59 ARG NE N 15 86.075 8.811 . 1 . . . A 59 ARG NE . 34110 1 548 . 1 1 60 60 VAL H H 1 8.484 0.007 . 1 . . . A 60 VAL H . 34110 1 549 . 1 1 60 60 VAL HA H 1 4.661 0.006 . 1 . . . A 60 VAL HA . 34110 1 550 . 1 1 60 60 VAL HB H 1 2.422 0.008 . 1 . . . A 60 VAL HB . 34110 1 551 . 1 1 60 60 VAL HG11 H 1 1.115 0.007 . 1 . . . A 60 VAL HG11 . 34110 1 552 . 1 1 60 60 VAL HG12 H 1 1.115 0.007 . 1 . . . A 60 VAL HG12 . 34110 1 553 . 1 1 60 60 VAL HG13 H 1 1.115 0.007 . 1 . . . A 60 VAL HG13 . 34110 1 554 . 1 1 60 60 VAL C C 13 175.902 0 . 1 . . . A 60 VAL C . 34110 1 555 . 1 1 60 60 VAL CA C 13 61.763 0.097 . 1 . . . A 60 VAL CA . 34110 1 556 . 1 1 60 60 VAL CB C 13 33.851 0.115 . 1 . . . A 60 VAL CB . 34110 1 557 . 1 1 60 60 VAL CG1 C 13 21.686 0.081 . 2 . . . A 60 VAL CG1 . 34110 1 558 . 1 1 60 60 VAL CG2 C 13 21.877 0 . 2 . . . A 60 VAL CG2 . 34110 1 559 . 1 1 60 60 VAL N N 15 112.331 0.059 . 1 . . . A 60 VAL N . 34110 1 560 . 1 1 61 61 ALA H H 1 7.662 0.009 . 1 . . . A 61 ALA H . 34110 1 561 . 1 1 61 61 ALA HA H 1 4.075 0.013 . 1 . . . A 61 ALA HA . 34110 1 562 . 1 1 61 61 ALA HB1 H 1 1.512 0.007 . 1 . . . A 61 ALA HB1 . 34110 1 563 . 1 1 61 61 ALA HB2 H 1 1.512 0.007 . 1 . . . A 61 ALA HB2 . 34110 1 564 . 1 1 61 61 ALA HB3 H 1 1.512 0.007 . 1 . . . A 61 ALA HB3 . 34110 1 565 . 1 1 61 61 ALA C C 13 178.752 0 . 1 . . . A 61 ALA C . 34110 1 566 . 1 1 61 61 ALA CA C 13 54.961 0.096 . 1 . . . A 61 ALA CA . 34110 1 567 . 1 1 61 61 ALA CB C 13 17.926 0.072 . 1 . . . A 61 ALA CB . 34110 1 568 . 1 1 61 61 ALA N N 15 122.841 0.082 . 1 . . . A 61 ALA N . 34110 1 569 . 1 1 62 62 GLY H H 1 8.853 0.007 . 1 . . . A 62 GLY H . 34110 1 570 . 1 1 62 62 GLY HA2 H 1 3.807 0.011 . 2 . . . A 62 GLY HA2 . 34110 1 571 . 1 1 62 62 GLY HA3 H 1 4.092 0.011 . 2 . . . A 62 GLY HA3 . 34110 1 572 . 1 1 62 62 GLY C C 13 175.483 0 . 1 . . . A 62 GLY C . 34110 1 573 . 1 1 62 62 GLY CA C 13 45.494 0.108 . 1 . . . A 62 GLY CA . 34110 1 574 . 1 1 62 62 GLY N N 15 107.375 0.042 . 1 . . . A 62 GLY N . 34110 1 575 . 1 1 63 63 GLU H H 1 8.179 0.007 . 1 . . . A 63 GLU H . 34110 1 576 . 1 1 63 63 GLU HA H 1 4.253 0.019 . 1 . . . A 63 GLU HA . 34110 1 577 . 1 1 63 63 GLU HB2 H 1 2.226 0.013 . 2 . . . A 63 GLU HB2 . 34110 1 578 . 1 1 63 63 GLU HB3 H 1 2.094 0.007 . 2 . . . A 63 GLU HB3 . 34110 1 579 . 1 1 63 63 GLU HG2 H 1 2.395 0.022 . 1 . . . A 63 GLU HG2 . 34110 1 580 . 1 1 63 63 GLU C C 13 177.033 0 . 1 . . . A 63 GLU C . 34110 1 581 . 1 1 63 63 GLU CA C 13 57.571 0.108 . 1 . . . A 63 GLU CA . 34110 1 582 . 1 1 63 63 GLU CB C 13 29.846 0 . 1 . . . A 63 GLU CB . 34110 1 583 . 1 1 63 63 GLU CG C 13 35.967 0.058 . 1 . . . A 63 GLU CG . 34110 1 584 . 1 1 63 63 GLU N N 15 122.36 0.073 . 1 . . . A 63 GLU N . 34110 1 585 . 1 1 64 64 MET H H 1 8.402 0.008 . 1 . . . A 64 MET H . 34110 1 586 . 1 1 64 64 MET HA H 1 4.257 0.013 . 1 . . . A 64 MET HA . 34110 1 587 . 1 1 64 64 MET HB2 H 1 2.228 0.011 . 1 . . . A 64 MET HB2 . 34110 1 588 . 1 1 64 64 MET HG2 H 1 1.877 0.019 . 1 . . . A 64 MET HG2 . 34110 1 589 . 1 1 64 64 MET HE1 H 1 1.764 0.008 . 1 . . . A 64 MET HE1 . 34110 1 590 . 1 1 64 64 MET HE2 H 1 1.764 0.008 . 1 . . . A 64 MET HE2 . 34110 1 591 . 1 1 64 64 MET HE3 H 1 1.764 0.008 . 1 . . . A 64 MET HE3 . 34110 1 592 . 1 1 64 64 MET C C 13 174.957 0 . 1 . . . A 64 MET C . 34110 1 593 . 1 1 64 64 MET CA C 13 54.661 0.061 . 1 . . . A 64 MET CA . 34110 1 594 . 1 1 64 64 MET CB C 13 32.225 0.067 . 1 . . . A 64 MET CB . 34110 1 595 . 1 1 64 64 MET CG C 13 30.568 0 . 1 . . . A 64 MET CG . 34110 1 596 . 1 1 64 64 MET CE C 13 16.489 0.093 . 1 . . . A 64 MET CE . 34110 1 597 . 1 1 64 64 MET N N 15 115.387 0.099 . 1 . . . A 64 MET N . 34110 1 598 . 1 1 65 65 ASN H H 1 8.116 0.007 . 1 . . . A 65 ASN H . 34110 1 599 . 1 1 65 65 ASN HA H 1 4.342 0.012 . 1 . . . A 65 ASN HA . 34110 1 600 . 1 1 65 65 ASN HB2 H 1 3.018 0.006 . 2 . . . A 65 ASN HB2 . 34110 1 601 . 1 1 65 65 ASN HB3 H 1 2.772 0.01 . 2 . . . A 65 ASN HB3 . 34110 1 602 . 1 1 65 65 ASN HD21 H 1 7.542 0.022 . 1 . . . A 65 ASN HD21 . 34110 1 603 . 1 1 65 65 ASN HD22 H 1 6.874 0.013 . 1 . . . A 65 ASN HD22 . 34110 1 604 . 1 1 65 65 ASN C C 13 174.431 0 . 1 . . . A 65 ASN C . 34110 1 605 . 1 1 65 65 ASN CA C 13 53.752 0.137 . 1 . . . A 65 ASN CA . 34110 1 606 . 1 1 65 65 ASN CB C 13 37.229 0.102 . 1 . . . A 65 ASN CB . 34110 1 607 . 1 1 65 65 ASN N N 15 114.482 0.07 . 1 . . . A 65 ASN N . 34110 1 608 . 1 1 65 65 ASN ND2 N 15 112.243 0.106 . 1 . . . A 65 ASN ND2 . 34110 1 609 . 1 1 66 66 LEU H H 1 7.787 0.006 . 1 . . . A 66 LEU H . 34110 1 610 . 1 1 66 66 LEU HA H 1 4.523 0.013 . 1 . . . A 66 LEU HA . 34110 1 611 . 1 1 66 66 LEU HB2 H 1 1.683 0.008 . 2 . . . A 66 LEU HB2 . 34110 1 612 . 1 1 66 66 LEU HB3 H 1 1.174 0.004 . 2 . . . A 66 LEU HB3 . 34110 1 613 . 1 1 66 66 LEU HG H 1 1.808 0.012 . 1 . . . A 66 LEU HG . 34110 1 614 . 1 1 66 66 LEU HD11 H 1 0.696 0.021 . 2 . . . A 66 LEU HD11 . 34110 1 615 . 1 1 66 66 LEU HD12 H 1 0.696 0.021 . 2 . . . A 66 LEU HD12 . 34110 1 616 . 1 1 66 66 LEU HD13 H 1 0.696 0.021 . 2 . . . A 66 LEU HD13 . 34110 1 617 . 1 1 66 66 LEU HD21 H 1 0.761 0.006 . 2 . . . A 66 LEU HD21 . 34110 1 618 . 1 1 66 66 LEU HD22 H 1 0.761 0.006 . 2 . . . A 66 LEU HD22 . 34110 1 619 . 1 1 66 66 LEU HD23 H 1 0.761 0.006 . 2 . . . A 66 LEU HD23 . 34110 1 620 . 1 1 66 66 LEU C C 13 176.705 0 . 1 . . . A 66 LEU C . 34110 1 621 . 1 1 66 66 LEU CA C 13 54.512 0.152 . 1 . . . A 66 LEU CA . 34110 1 622 . 1 1 66 66 LEU CB C 13 43.477 0.084 . 1 . . . A 66 LEU CB . 34110 1 623 . 1 1 66 66 LEU CD1 C 13 25.566 0.109 . 2 . . . A 66 LEU CD1 . 34110 1 624 . 1 1 66 66 LEU CD2 C 13 24.739 0.076 . 2 . . . A 66 LEU CD2 . 34110 1 625 . 1 1 66 66 LEU N N 15 119.182 0.048 . 1 . . . A 66 LEU N . 34110 1 626 . 1 1 67 67 SER H H 1 8.653 0.01 . 1 . . . A 67 SER H . 34110 1 627 . 1 1 67 67 SER HA H 1 4.756 0.026 . 1 . . . A 67 SER HA . 34110 1 628 . 1 1 67 67 SER HB2 H 1 4.493 0.011 . 2 . . . A 67 SER HB2 . 34110 1 629 . 1 1 67 67 SER HB3 H 1 4.067 0.006 . 2 . . . A 67 SER HB3 . 34110 1 630 . 1 1 67 67 SER C C 13 175.336 0 . 1 . . . A 67 SER C . 34110 1 631 . 1 1 67 67 SER CA C 13 55.584 0.07 . 1 . . . A 67 SER CA . 34110 1 632 . 1 1 67 67 SER CB C 13 65.832 0.164 . 1 . . . A 67 SER CB . 34110 1 633 . 1 1 67 67 SER N N 15 118.821 0.067 . 1 . . . A 67 SER N . 34110 1 634 . 1 1 68 68 LYS H H 1 9.142 0.007 . 1 . . . A 68 LYS H . 34110 1 635 . 1 1 68 68 LYS HA H 1 4.004 0.008 . 1 . . . A 68 LYS HA . 34110 1 636 . 1 1 68 68 LYS HB2 H 1 2.09 0.007 . 1 . . . A 68 LYS HB2 . 34110 1 637 . 1 1 68 68 LYS HD2 H 1 1.487 0.007 . 2 . . . A 68 LYS HD2 . 34110 1 638 . 1 1 68 68 LYS HD3 H 1 1.844 0.012 . 2 . . . A 68 LYS HD3 . 34110 1 639 . 1 1 68 68 LYS HE2 H 1 3.089 0 . 1 . . . A 68 LYS HE2 . 34110 1 640 . 1 1 68 68 LYS C C 13 178.782 0 . 1 . . . A 68 LYS C . 34110 1 641 . 1 1 68 68 LYS CA C 13 61.015 0.055 . 1 . . . A 68 LYS CA . 34110 1 642 . 1 1 68 68 LYS CB C 13 32.039 0.133 . 1 . . . A 68 LYS CB . 34110 1 643 . 1 1 68 68 LYS CG C 13 19.798 0 . 1 . . . A 68 LYS CG . 34110 1 644 . 1 1 68 68 LYS CD C 13 26.38 0.082 . 1 . . . A 68 LYS CD . 34110 1 645 . 1 1 68 68 LYS N N 15 120.759 0.082 . 1 . . . A 68 LYS N . 34110 1 646 . 1 1 69 69 THR H H 1 8.192 0.006 . 1 . . . A 69 THR H . 34110 1 647 . 1 1 69 69 THR HA H 1 4.025 0.013 . 1 . . . A 69 THR HA . 34110 1 648 . 1 1 69 69 THR HB H 1 4.138 0.016 . 1 . . . A 69 THR HB . 34110 1 649 . 1 1 69 69 THR HG21 H 1 1.279 0.006 . 1 . . . A 69 THR HG21 . 34110 1 650 . 1 1 69 69 THR HG22 H 1 1.279 0.006 . 1 . . . A 69 THR HG22 . 34110 1 651 . 1 1 69 69 THR HG23 H 1 1.279 0.006 . 1 . . . A 69 THR HG23 . 34110 1 652 . 1 1 69 69 THR C C 13 176.795 0 . 1 . . . A 69 THR C . 34110 1 653 . 1 1 69 69 THR CA C 13 65.954 0.086 . 1 . . . A 69 THR CA . 34110 1 654 . 1 1 69 69 THR CB C 13 68.163 0.092 . 1 . . . A 69 THR CB . 34110 1 655 . 1 1 69 69 THR CG2 C 13 21.484 0.082 . 1 . . . A 69 THR CG2 . 34110 1 656 . 1 1 69 69 THR N N 15 113.445 0.071 . 1 . . . A 69 THR N . 34110 1 657 . 1 1 70 70 GLN H H 1 8.003 0.008 . 1 . . . A 70 GLN H . 34110 1 658 . 1 1 70 70 GLN HA H 1 4.14 0.005 . 1 . . . A 70 GLN HA . 34110 1 659 . 1 1 70 70 GLN HB2 H 1 1.846 0.012 . 1 . . . A 70 GLN HB2 . 34110 1 660 . 1 1 70 70 GLN HG2 H 1 2.421 0.015 . 1 . . . A 70 GLN HG2 . 34110 1 661 . 1 1 70 70 GLN HE21 H 1 6.702 0.011 . 1 . . . A 70 GLN HE21 . 34110 1 662 . 1 1 70 70 GLN HE22 H 1 7.551 0.006 . 1 . . . A 70 GLN HE22 . 34110 1 663 . 1 1 70 70 GLN C C 13 180.078 0 . 1 . . . A 70 GLN C . 34110 1 664 . 1 1 70 70 GLN CA C 13 58.946 0.087 . 1 . . . A 70 GLN CA . 34110 1 665 . 1 1 70 70 GLN CB C 13 30.105 0.047 . 1 . . . A 70 GLN CB . 34110 1 666 . 1 1 70 70 GLN CG C 13 35.007 0.073 . 1 . . . A 70 GLN CG . 34110 1 667 . 1 1 70 70 GLN N N 15 122.102 0.063 . 1 . . . A 70 GLN N . 34110 1 668 . 1 1 70 70 GLN NE2 N 15 111.369 0.075 . 1 . . . A 70 GLN NE2 . 34110 1 669 . 1 1 71 71 LEU H H 1 8.236 0.008 . 1 . . . A 71 LEU H . 34110 1 670 . 1 1 71 71 LEU HA H 1 4.045 0.014 . 1 . . . A 71 LEU HA . 34110 1 671 . 1 1 71 71 LEU HB2 H 1 2.137 0.01 . 2 . . . A 71 LEU HB2 . 34110 1 672 . 1 1 71 71 LEU HB3 H 1 1.455 0.012 . 2 . . . A 71 LEU HB3 . 34110 1 673 . 1 1 71 71 LEU HG H 1 1.797 0.013 . 1 . . . A 71 LEU HG . 34110 1 674 . 1 1 71 71 LEU HD11 H 1 0.714 0.016 . 2 . . . A 71 LEU HD11 . 34110 1 675 . 1 1 71 71 LEU HD12 H 1 0.714 0.016 . 2 . . . A 71 LEU HD12 . 34110 1 676 . 1 1 71 71 LEU HD13 H 1 0.714 0.016 . 2 . . . A 71 LEU HD13 . 34110 1 677 . 1 1 71 71 LEU HD21 H 1 0.774 0.007 . 2 . . . A 71 LEU HD21 . 34110 1 678 . 1 1 71 71 LEU HD22 H 1 0.774 0.007 . 2 . . . A 71 LEU HD22 . 34110 1 679 . 1 1 71 71 LEU HD23 H 1 0.774 0.007 . 2 . . . A 71 LEU HD23 . 34110 1 680 . 1 1 71 71 LEU C C 13 177.709 0 . 1 . . . A 71 LEU C . 34110 1 681 . 1 1 71 71 LEU CA C 13 57.899 0.065 . 1 . . . A 71 LEU CA . 34110 1 682 . 1 1 71 71 LEU CB C 13 42.001 0.077 . 1 . . . A 71 LEU CB . 34110 1 683 . 1 1 71 71 LEU CD1 C 13 25.074 0.155 . 2 . . . A 71 LEU CD1 . 34110 1 684 . 1 1 71 71 LEU CD2 C 13 23.072 0.078 . 2 . . . A 71 LEU CD2 . 34110 1 685 . 1 1 71 71 LEU N N 15 119.624 0.092 . 1 . . . A 71 LEU N . 34110 1 686 . 1 1 72 72 ARG H H 1 8.841 0.007 . 1 . . . A 72 ARG H . 34110 1 687 . 1 1 72 72 ARG HA H 1 3.8 0.006 . 1 . . . A 72 ARG HA . 34110 1 688 . 1 1 72 72 ARG HB2 H 1 1.897 0.003 . 1 . . . A 72 ARG HB2 . 34110 1 689 . 1 1 72 72 ARG HG2 H 1 1.372 0.008 . 1 . . . A 72 ARG HG2 . 34110 1 690 . 1 1 72 72 ARG HD2 H 1 2.862 0.015 . 1 . . . A 72 ARG HD2 . 34110 1 691 . 1 1 72 72 ARG C C 13 179.427 0 . 1 . . . A 72 ARG C . 34110 1 692 . 1 1 72 72 ARG CA C 13 59.589 0.128 . 1 . . . A 72 ARG CA . 34110 1 693 . 1 1 72 72 ARG CB C 13 29.551 0.041 . 1 . . . A 72 ARG CB . 34110 1 694 . 1 1 72 72 ARG CG C 13 26.936 0.107 . 1 . . . A 72 ARG CG . 34110 1 695 . 1 1 72 72 ARG CD C 13 42.46 0.067 . 1 . . . A 72 ARG CD . 34110 1 696 . 1 1 72 72 ARG N N 15 119.905 0.05 . 1 . . . A 72 ARG N . 34110 1 697 . 1 1 73 73 SER H H 1 8.413 0.006 . 1 . . . A 73 SER H . 34110 1 698 . 1 1 73 73 SER HA H 1 4.189 0.013 . 1 . . . A 73 SER HA . 34110 1 699 . 1 1 73 73 SER HB2 H 1 3.949 0.005 . 2 . . . A 73 SER HB2 . 34110 1 700 . 1 1 73 73 SER HB3 H 1 3.985 0.007 . 2 . . . A 73 SER HB3 . 34110 1 701 . 1 1 73 73 SER C C 13 176.617 0 . 1 . . . A 73 SER C . 34110 1 702 . 1 1 73 73 SER CA C 13 61.564 0.115 . 1 . . . A 73 SER CA . 34110 1 703 . 1 1 73 73 SER CB C 13 62.284 0.09 . 1 . . . A 73 SER CB . 34110 1 704 . 1 1 73 73 SER N N 15 114.834 0.079 . 1 . . . A 73 SER N . 34110 1 705 . 1 1 74 74 ALA H H 1 7.959 0.005 . 1 . . . A 74 ALA H . 34110 1 706 . 1 1 74 74 ALA HA H 1 4.113 0.013 . 1 . . . A 74 ALA HA . 34110 1 707 . 1 1 74 74 ALA HB1 H 1 1.502 0.011 . 1 . . . A 74 ALA HB1 . 34110 1 708 . 1 1 74 74 ALA HB2 H 1 1.502 0.011 . 1 . . . A 74 ALA HB2 . 34110 1 709 . 1 1 74 74 ALA HB3 H 1 1.502 0.011 . 1 . . . A 74 ALA HB3 . 34110 1 710 . 1 1 74 74 ALA C C 13 178.656 0 . 1 . . . A 74 ALA C . 34110 1 711 . 1 1 74 74 ALA CA C 13 55.028 0.088 . 1 . . . A 74 ALA CA . 34110 1 712 . 1 1 74 74 ALA CB C 13 18.096 0.046 . 1 . . . A 74 ALA CB . 34110 1 713 . 1 1 74 74 ALA N N 15 124.058 0.087 . 1 . . . A 74 ALA N . 34110 1 714 . 1 1 75 75 LEU H H 1 8.285 0.006 . 1 . . . A 75 LEU H . 34110 1 715 . 1 1 75 75 LEU HA H 1 4.05 0.012 . 1 . . . A 75 LEU HA . 34110 1 716 . 1 1 75 75 LEU HB2 H 1 1.786 0.012 . 1 . . . A 75 LEU HB2 . 34110 1 717 . 1 1 75 75 LEU HD11 H 1 1.028 0.016 . 2 . . . A 75 LEU HD11 . 34110 1 718 . 1 1 75 75 LEU HD12 H 1 1.028 0.016 . 2 . . . A 75 LEU HD12 . 34110 1 719 . 1 1 75 75 LEU HD13 H 1 1.028 0.016 . 2 . . . A 75 LEU HD13 . 34110 1 720 . 1 1 75 75 LEU HD21 H 1 0.947 0.008 . 2 . . . A 75 LEU HD21 . 34110 1 721 . 1 1 75 75 LEU HD22 H 1 0.947 0.008 . 2 . . . A 75 LEU HD22 . 34110 1 722 . 1 1 75 75 LEU HD23 H 1 0.947 0.008 . 2 . . . A 75 LEU HD23 . 34110 1 723 . 1 1 75 75 LEU C C 13 179.257 0 . 1 . . . A 75 LEU C . 34110 1 724 . 1 1 75 75 LEU CA C 13 57.685 0.069 . 1 . . . A 75 LEU CA . 34110 1 725 . 1 1 75 75 LEU CB C 13 41.362 0.098 . 1 . . . A 75 LEU CB . 34110 1 726 . 1 1 75 75 LEU CD1 C 13 24.658 0.082 . 2 . . . A 75 LEU CD1 . 34110 1 727 . 1 1 75 75 LEU CD2 C 13 23.969 0.062 . 2 . . . A 75 LEU CD2 . 34110 1 728 . 1 1 75 75 LEU N N 15 117.502 0.08 . 1 . . . A 75 LEU N . 34110 1 729 . 1 1 76 76 ARG H H 1 8.223 0.006 . 1 . . . A 76 ARG H . 34110 1 730 . 1 1 76 76 ARG HA H 1 3.974 0.019 . 1 . . . A 76 ARG HA . 34110 1 731 . 1 1 76 76 ARG HB2 H 1 1.911 0.009 . 1 . . . A 76 ARG HB2 . 34110 1 732 . 1 1 76 76 ARG HG2 H 1 1.622 0 . 1 . . . A 76 ARG HG2 . 34110 1 733 . 1 1 76 76 ARG HD2 H 1 3.19 0.012 . 1 . . . A 76 ARG HD2 . 34110 1 734 . 1 1 76 76 ARG C C 13 178.4 0 . 1 . . . A 76 ARG C . 34110 1 735 . 1 1 76 76 ARG CA C 13 58.981 0.021 . 1 . . . A 76 ARG CA . 34110 1 736 . 1 1 76 76 ARG CB C 13 29.511 0.057 . 1 . . . A 76 ARG CB . 34110 1 737 . 1 1 76 76 ARG CG C 13 27.028 0 . 1 . . . A 76 ARG CG . 34110 1 738 . 1 1 76 76 ARG CD C 13 42.973 0.118 . 1 . . . A 76 ARG CD . 34110 1 739 . 1 1 76 76 ARG N N 15 120.465 0.091 . 1 . . . A 76 ARG N . 34110 1 740 . 1 1 77 77 LEU H H 1 7.776 0.004 . 1 . . . A 77 LEU H . 34110 1 741 . 1 1 77 77 LEU HA H 1 4.07 0.013 . 1 . . . A 77 LEU HA . 34110 1 742 . 1 1 77 77 LEU HB2 H 1 1.951 0.007 . 2 . . . A 77 LEU HB2 . 34110 1 743 . 1 1 77 77 LEU HB3 H 1 1.757 0.016 . 2 . . . A 77 LEU HB3 . 34110 1 744 . 1 1 77 77 LEU HG H 1 1.637 0.004 . 1 . . . A 77 LEU HG . 34110 1 745 . 1 1 77 77 LEU HD11 H 1 0.907 0.007 . 2 . . . A 77 LEU HD11 . 34110 1 746 . 1 1 77 77 LEU HD12 H 1 0.907 0.007 . 2 . . . A 77 LEU HD12 . 34110 1 747 . 1 1 77 77 LEU HD13 H 1 0.907 0.007 . 2 . . . A 77 LEU HD13 . 34110 1 748 . 1 1 77 77 LEU HD21 H 1 0.971 0.012 . 2 . . . A 77 LEU HD21 . 34110 1 749 . 1 1 77 77 LEU HD22 H 1 0.971 0.012 . 2 . . . A 77 LEU HD22 . 34110 1 750 . 1 1 77 77 LEU HD23 H 1 0.971 0.012 . 2 . . . A 77 LEU HD23 . 34110 1 751 . 1 1 77 77 LEU C C 13 179.418 0 . 1 . . . A 77 LEU C . 34110 1 752 . 1 1 77 77 LEU CA C 13 57.81 0.049 . 1 . . . A 77 LEU CA . 34110 1 753 . 1 1 77 77 LEU CB C 13 41.329 0.065 . 1 . . . A 77 LEU CB . 34110 1 754 . 1 1 77 77 LEU CG C 13 26.838 0.08 . 1 . . . A 77 LEU CG . 34110 1 755 . 1 1 77 77 LEU CD1 C 13 25.098 0.079 . 2 . . . A 77 LEU CD1 . 34110 1 756 . 1 1 77 77 LEU CD2 C 13 23.65 0.108 . 2 . . . A 77 LEU CD2 . 34110 1 757 . 1 1 77 77 LEU N N 15 120.776 0.055 . 1 . . . A 77 LEU N . 34110 1 758 . 1 1 78 78 TYR H H 1 8.668 0.005 . 1 . . . A 78 TYR H . 34110 1 759 . 1 1 78 78 TYR HA H 1 4.097 0.012 . 1 . . . A 78 TYR HA . 34110 1 760 . 1 1 78 78 TYR HB3 H 1 3.162 0.014 . 1 . . . A 78 TYR HB3 . 34110 1 761 . 1 1 78 78 TYR HD1 H 1 7.017 0.006 . 1 . . . A 78 TYR HD1 . 34110 1 762 . 1 1 78 78 TYR HD2 H 1 7.017 0.006 . 1 . . . A 78 TYR HD2 . 34110 1 763 . 1 1 78 78 TYR HE1 H 1 7.273 0.007 . 1 . . . A 78 TYR HE1 . 34110 1 764 . 1 1 78 78 TYR HE2 H 1 7.273 0.007 . 1 . . . A 78 TYR HE2 . 34110 1 765 . 1 1 78 78 TYR HH H 1 10.708 0.004 . 1 . . . A 78 TYR HH . 34110 1 766 . 1 1 78 78 TYR C C 13 178.022 0 . 1 . . . A 78 TYR C . 34110 1 767 . 1 1 78 78 TYR CA C 13 62.065 0.098 . 1 . . . A 78 TYR CA . 34110 1 768 . 1 1 78 78 TYR CB C 13 39.264 0.133 . 1 . . . A 78 TYR CB . 34110 1 769 . 1 1 78 78 TYR CD1 C 13 132.514 0.128 . 1 . . . A 78 TYR CD1 . 34110 1 770 . 1 1 78 78 TYR CD2 C 13 132.514 0.128 . 1 . . . A 78 TYR CD2 . 34110 1 771 . 1 1 78 78 TYR CE1 C 13 117.792 0.121 . 1 . . . A 78 TYR CE1 . 34110 1 772 . 1 1 78 78 TYR CE2 C 13 117.792 0.121 . 1 . . . A 78 TYR CE2 . 34110 1 773 . 1 1 78 78 TYR N N 15 120.129 0.087 . 1 . . . A 78 TYR N . 34110 1 774 . 1 1 79 79 THR H H 1 8.289 0.009 . 1 . . . A 79 THR H . 34110 1 775 . 1 1 79 79 THR HA H 1 3.237 0.011 . 1 . . . A 79 THR HA . 34110 1 776 . 1 1 79 79 THR HB H 1 4.119 0.007 . 1 . . . A 79 THR HB . 34110 1 777 . 1 1 79 79 THR HG21 H 1 0.988 0.008 . 1 . . . A 79 THR HG21 . 34110 1 778 . 1 1 79 79 THR HG22 H 1 0.988 0.008 . 1 . . . A 79 THR HG22 . 34110 1 779 . 1 1 79 79 THR HG23 H 1 0.988 0.008 . 1 . . . A 79 THR HG23 . 34110 1 780 . 1 1 79 79 THR C C 13 173.936 0 . 1 . . . A 79 THR C . 34110 1 781 . 1 1 79 79 THR CA C 13 62.119 0.095 . 1 . . . A 79 THR CA . 34110 1 782 . 1 1 79 79 THR CB C 13 69.09 0.078 . 1 . . . A 79 THR CB . 34110 1 783 . 1 1 79 79 THR CG2 C 13 21.423 0.101 . 1 . . . A 79 THR CG2 . 34110 1 784 . 1 1 79 79 THR N N 15 104.48 0.058 . 1 . . . A 79 THR N . 34110 1 785 . 1 1 80 80 SER H H 1 7.356 0.006 . 1 . . . A 80 SER H . 34110 1 786 . 1 1 80 80 SER HA H 1 4.686 0.013 . 1 . . . A 80 SER HA . 34110 1 787 . 1 1 80 80 SER HB2 H 1 4.006 0.009 . 1 . . . A 80 SER HB2 . 34110 1 788 . 1 1 80 80 SER C C 13 173.762 0 . 1 . . . A 80 SER C . 34110 1 789 . 1 1 80 80 SER CA C 13 57.604 0.05 . 1 . . . A 80 SER CA . 34110 1 790 . 1 1 80 80 SER CB C 13 63.815 0.037 . 1 . . . A 80 SER CB . 34110 1 791 . 1 1 80 80 SER N N 15 112.69 0.083 . 1 . . . A 80 SER N . 34110 1 792 . 1 1 81 81 SER H H 1 7.246 0.008 . 1 . . . A 81 SER H . 34110 1 793 . 1 1 81 81 SER HA H 1 4.439 0.008 . 1 . . . A 81 SER HA . 34110 1 794 . 1 1 81 81 SER HB2 H 1 4.234 0.01 . 2 . . . A 81 SER HB2 . 34110 1 795 . 1 1 81 81 SER HB3 H 1 4.126 0.015 . 2 . . . A 81 SER HB3 . 34110 1 796 . 1 1 81 81 SER C C 13 174.449 0 . 1 . . . A 81 SER C . 34110 1 797 . 1 1 81 81 SER CA C 13 57.756 0.086 . 1 . . . A 81 SER CA . 34110 1 798 . 1 1 81 81 SER CB C 13 64.161 0.097 . 1 . . . A 81 SER CB . 34110 1 799 . 1 1 81 81 SER N N 15 117.611 0.08 . 1 . . . A 81 SER N . 34110 1 800 . 1 1 82 82 TRP H H 1 8.915 0.007 . 1 . . . A 82 TRP H . 34110 1 801 . 1 1 82 82 TRP HA H 1 4.251 0.01 . 1 . . . A 82 TRP HA . 34110 1 802 . 1 1 82 82 TRP HB3 H 1 3.289 0.015 . 1 . . . A 82 TRP HB3 . 34110 1 803 . 1 1 82 82 TRP HD1 H 1 7.258 0.01 . 1 . . . A 82 TRP HD1 . 34110 1 804 . 1 1 82 82 TRP HE1 H 1 10.033 0.004 . 1 . . . A 82 TRP HE1 . 34110 1 805 . 1 1 82 82 TRP HE3 H 1 7.064 0.008 . 1 . . . A 82 TRP HE3 . 34110 1 806 . 1 1 82 82 TRP HZ2 H 1 7.299 0.01 . 1 . . . A 82 TRP HZ2 . 34110 1 807 . 1 1 82 82 TRP HZ3 H 1 7.501 0.018 . 1 . . . A 82 TRP HZ3 . 34110 1 808 . 1 1 82 82 TRP HH2 H 1 7.087 0.013 . 1 . . . A 82 TRP HH2 . 34110 1 809 . 1 1 82 82 TRP C C 13 177.437 0 . 1 . . . A 82 TRP C . 34110 1 810 . 1 1 82 82 TRP CA C 13 60.311 0.136 . 1 . . . A 82 TRP CA . 34110 1 811 . 1 1 82 82 TRP CB C 13 27.711 0.088 . 1 . . . A 82 TRP CB . 34110 1 812 . 1 1 82 82 TRP CD1 C 13 125.976 0.055 . 1 . . . A 82 TRP CD1 . 34110 1 813 . 1 1 82 82 TRP CE3 C 13 121.362 0.082 . 1 . . . A 82 TRP CE3 . 34110 1 814 . 1 1 82 82 TRP CZ2 C 13 113.92 0.143 . 1 . . . A 82 TRP CZ2 . 34110 1 815 . 1 1 82 82 TRP CZ3 C 13 120.447 0.042 . 1 . . . A 82 TRP CZ3 . 34110 1 816 . 1 1 82 82 TRP CH2 C 13 124.135 0.098 . 1 . . . A 82 TRP CH2 . 34110 1 817 . 1 1 82 82 TRP N N 15 123.936 0.089 . 1 . . . A 82 TRP N . 34110 1 818 . 1 1 82 82 TRP NE1 N 15 128.463 0.07 . 1 . . . A 82 TRP NE1 . 34110 1 819 . 1 1 83 83 ARG H H 1 8.319 0.007 . 1 . . . A 83 ARG H . 34110 1 820 . 1 1 83 83 ARG HA H 1 3.984 0.022 . 1 . . . A 83 ARG HA . 34110 1 821 . 1 1 83 83 ARG HB2 H 1 1.863 0.015 . 2 . . . A 83 ARG HB2 . 34110 1 822 . 1 1 83 83 ARG HB3 H 1 1.633 0.022 . 2 . . . A 83 ARG HB3 . 34110 1 823 . 1 1 83 83 ARG HG2 H 1 1.4 0.012 . 1 . . . A 83 ARG HG2 . 34110 1 824 . 1 1 83 83 ARG HD2 H 1 3.461 0.009 . 2 . . . A 83 ARG HD2 . 34110 1 825 . 1 1 83 83 ARG HD3 H 1 3.193 0 . 2 . . . A 83 ARG HD3 . 34110 1 826 . 1 1 83 83 ARG C C 13 177.343 0 . 1 . . . A 83 ARG C . 34110 1 827 . 1 1 83 83 ARG CA C 13 58.63 0.106 . 1 . . . A 83 ARG CA . 34110 1 828 . 1 1 83 83 ARG CB C 13 28.797 0.138 . 1 . . . A 83 ARG CB . 34110 1 829 . 1 1 83 83 ARG CG C 13 27.02 0.013 . 1 . . . A 83 ARG CG . 34110 1 830 . 1 1 83 83 ARG CD C 13 42.831 0.066 . 1 . . . A 83 ARG CD . 34110 1 831 . 1 1 83 83 ARG N N 15 114.783 0.072 . 1 . . . A 83 ARG N . 34110 1 832 . 1 1 84 84 TYR H H 1 7.571 0.009 . 1 . . . A 84 TYR H . 34110 1 833 . 1 1 84 84 TYR HA H 1 3.889 0.012 . 1 . . . A 84 TYR HA . 34110 1 834 . 1 1 84 84 TYR HB2 H 1 2.927 0.006 . 2 . . . A 84 TYR HB2 . 34110 1 835 . 1 1 84 84 TYR HB3 H 1 2.503 0.005 . 2 . . . A 84 TYR HB3 . 34110 1 836 . 1 1 84 84 TYR HD1 H 1 6.764 0.01 . 1 . . . A 84 TYR HD1 . 34110 1 837 . 1 1 84 84 TYR HD2 H 1 6.764 0.01 . 1 . . . A 84 TYR HD2 . 34110 1 838 . 1 1 84 84 TYR HE1 H 1 7.019 0.006 . 1 . . . A 84 TYR HE1 . 34110 1 839 . 1 1 84 84 TYR HE2 H 1 7.019 0.006 . 1 . . . A 84 TYR HE2 . 34110 1 840 . 1 1 84 84 TYR C C 13 177.596 0 . 1 . . . A 84 TYR C . 34110 1 841 . 1 1 84 84 TYR CA C 13 61.084 0.098 . 1 . . . A 84 TYR CA . 34110 1 842 . 1 1 84 84 TYR CB C 13 39.112 0.078 . 1 . . . A 84 TYR CB . 34110 1 843 . 1 1 84 84 TYR CD1 C 13 133.312 0.096 . 1 . . . A 84 TYR CD1 . 34110 1 844 . 1 1 84 84 TYR CD2 C 13 133.312 0.096 . 1 . . . A 84 TYR CD2 . 34110 1 845 . 1 1 84 84 TYR CE1 C 13 117.592 0.133 . 1 . . . A 84 TYR CE1 . 34110 1 846 . 1 1 84 84 TYR CE2 C 13 117.592 0.133 . 1 . . . A 84 TYR CE2 . 34110 1 847 . 1 1 84 84 TYR N N 15 120.684 0.086 . 1 . . . A 84 TYR N . 34110 1 848 . 1 1 85 85 LEU H H 1 8.144 0.009 . 1 . . . A 85 LEU H . 34110 1 849 . 1 1 85 85 LEU HA H 1 3.927 0.014 . 1 . . . A 85 LEU HA . 34110 1 850 . 1 1 85 85 LEU HB2 H 1 1.232 0.018 . 2 . . . A 85 LEU HB2 . 34110 1 851 . 1 1 85 85 LEU HB3 H 1 1.795 0.021 . 2 . . . A 85 LEU HB3 . 34110 1 852 . 1 1 85 85 LEU HD11 H 1 1.029 0.012 . 2 . . . A 85 LEU HD11 . 34110 1 853 . 1 1 85 85 LEU HD12 H 1 1.029 0.012 . 2 . . . A 85 LEU HD12 . 34110 1 854 . 1 1 85 85 LEU HD13 H 1 1.029 0.012 . 2 . . . A 85 LEU HD13 . 34110 1 855 . 1 1 85 85 LEU HD21 H 1 0.781 0.013 . 2 . . . A 85 LEU HD21 . 34110 1 856 . 1 1 85 85 LEU HD22 H 1 0.781 0.013 . 2 . . . A 85 LEU HD22 . 34110 1 857 . 1 1 85 85 LEU HD23 H 1 0.781 0.013 . 2 . . . A 85 LEU HD23 . 34110 1 858 . 1 1 85 85 LEU C C 13 180.119 0 . 1 . . . A 85 LEU C . 34110 1 859 . 1 1 85 85 LEU CA C 13 57.65 0.115 . 1 . . . A 85 LEU CA . 34110 1 860 . 1 1 85 85 LEU CB C 13 41.639 0.114 . 1 . . . A 85 LEU CB . 34110 1 861 . 1 1 85 85 LEU CD1 C 13 22.385 0.127 . 2 . . . A 85 LEU CD1 . 34110 1 862 . 1 1 85 85 LEU CD2 C 13 25.255 0.093 . 2 . . . A 85 LEU CD2 . 34110 1 863 . 1 1 85 85 LEU N N 15 118.837 0.063 . 1 . . . A 85 LEU N . 34110 1 864 . 1 1 86 86 TYR H H 1 8.624 0.007 . 1 . . . A 86 TYR H . 34110 1 865 . 1 1 86 86 TYR HA H 1 4.15 0.008 . 1 . . . A 86 TYR HA . 34110 1 866 . 1 1 86 86 TYR HB2 H 1 2.827 0.013 . 2 . . . A 86 TYR HB2 . 34110 1 867 . 1 1 86 86 TYR HB3 H 1 2.575 0.006 . 2 . . . A 86 TYR HB3 . 34110 1 868 . 1 1 86 86 TYR HD1 H 1 7.038 0.005 . 1 . . . A 86 TYR HD1 . 34110 1 869 . 1 1 86 86 TYR HD2 H 1 7.038 0.005 . 1 . . . A 86 TYR HD2 . 34110 1 870 . 1 1 86 86 TYR HE1 H 1 6.808 0.005 . 1 . . . A 86 TYR HE1 . 34110 1 871 . 1 1 86 86 TYR HE2 H 1 6.808 0.005 . 1 . . . A 86 TYR HE2 . 34110 1 872 . 1 1 86 86 TYR C C 13 176.963 0 . 1 . . . A 86 TYR C . 34110 1 873 . 1 1 86 86 TYR CA C 13 59.591 0.152 . 1 . . . A 86 TYR CA . 34110 1 874 . 1 1 86 86 TYR CB C 13 37.734 0.083 . 1 . . . A 86 TYR CB . 34110 1 875 . 1 1 86 86 TYR CD1 C 13 132.521 0.168 . 1 . . . A 86 TYR CD1 . 34110 1 876 . 1 1 86 86 TYR CD2 C 13 132.521 0.168 . 1 . . . A 86 TYR CD2 . 34110 1 877 . 1 1 86 86 TYR CE1 C 13 117.407 0.107 . 1 . . . A 86 TYR CE1 . 34110 1 878 . 1 1 86 86 TYR CE2 C 13 117.407 0.107 . 1 . . . A 86 TYR CE2 . 34110 1 879 . 1 1 86 86 TYR N N 15 117.123 0.062 . 1 . . . A 86 TYR N . 34110 1 880 . 1 1 87 87 GLY H H 1 7.417 0.006 . 1 . . . A 87 GLY H . 34110 1 881 . 1 1 87 87 GLY HA2 H 1 3.773 0.012 . 2 . . . A 87 GLY HA2 . 34110 1 882 . 1 1 87 87 GLY HA3 H 1 3.993 0.012 . 2 . . . A 87 GLY HA3 . 34110 1 883 . 1 1 87 87 GLY C C 13 174.094 0 . 1 . . . A 87 GLY C . 34110 1 884 . 1 1 87 87 GLY CA C 13 44.937 0.074 . 1 . . . A 87 GLY CA . 34110 1 885 . 1 1 87 87 GLY N N 15 104.455 0.063 . 1 . . . A 87 GLY N . 34110 1 886 . 1 1 88 88 VAL H H 1 7.022 0.004 . 1 . . . A 88 VAL H . 34110 1 887 . 1 1 88 88 VAL HA H 1 3.621 0.012 . 1 . . . A 88 VAL HA . 34110 1 888 . 1 1 88 88 VAL HB H 1 2.174 0.008 . 1 . . . A 88 VAL HB . 34110 1 889 . 1 1 88 88 VAL HG11 H 1 0.834 0.021 . 2 . . . A 88 VAL HG11 . 34110 1 890 . 1 1 88 88 VAL HG12 H 1 0.834 0.021 . 2 . . . A 88 VAL HG12 . 34110 1 891 . 1 1 88 88 VAL HG13 H 1 0.834 0.021 . 2 . . . A 88 VAL HG13 . 34110 1 892 . 1 1 88 88 VAL HG21 H 1 0.738 0.007 . 2 . . . A 88 VAL HG21 . 34110 1 893 . 1 1 88 88 VAL HG22 H 1 0.738 0.007 . 2 . . . A 88 VAL HG22 . 34110 1 894 . 1 1 88 88 VAL HG23 H 1 0.738 0.007 . 2 . . . A 88 VAL HG23 . 34110 1 895 . 1 1 88 88 VAL C C 13 172.988 0 . 1 . . . A 88 VAL C . 34110 1 896 . 1 1 88 88 VAL CA C 13 62.003 0.086 . 1 . . . A 88 VAL CA . 34110 1 897 . 1 1 88 88 VAL CB C 13 29.101 0.017 . 1 . . . A 88 VAL CB . 34110 1 898 . 1 1 88 88 VAL N N 15 121.504 0.061 . 1 . . . A 88 VAL N . 34110 1 899 . 1 1 89 89 LYS H H 1 7.022 0.007 . 1 . . . A 89 LYS H . 34110 1 900 . 1 1 89 89 LYS CA C 13 52.641 0 . 1 . . . A 89 LYS CA . 34110 1 901 . 1 1 89 89 LYS CB C 13 33.125 0 . 1 . . . A 89 LYS CB . 34110 1 902 . 1 1 89 89 LYS N N 15 124.049 0.084 . 1 . . . A 89 LYS N . 34110 1 903 . 1 1 90 90 PRO HA H 1 4.188 0.008 . 1 . . . A 90 PRO HA . 34110 1 904 . 1 1 90 90 PRO HB2 H 1 2.306 0.018 . 2 . . . A 90 PRO HB2 . 34110 1 905 . 1 1 90 90 PRO HB3 H 1 1.932 0.017 . 2 . . . A 90 PRO HB3 . 34110 1 906 . 1 1 90 90 PRO C C 13 177.949 0 . 1 . . . A 90 PRO C . 34110 1 907 . 1 1 90 90 PRO CA C 13 63.604 0.096 . 1 . . . A 90 PRO CA . 34110 1 908 . 1 1 90 90 PRO CB C 13 31.115 0.058 . 1 . . . A 90 PRO CB . 34110 1 909 . 1 1 90 90 PRO CG C 13 27.665 0 . 1 . . . A 90 PRO CG . 34110 1 910 . 1 1 91 91 GLY H H 1 9.01 0.008 . 1 . . . A 91 GLY H . 34110 1 911 . 1 1 91 91 GLY HA2 H 1 3.748 0.018 . 2 . . . A 91 GLY HA2 . 34110 1 912 . 1 1 91 91 GLY HA3 H 1 4.214 0.023 . 2 . . . A 91 GLY HA3 . 34110 1 913 . 1 1 91 91 GLY C C 13 173.954 0 . 1 . . . A 91 GLY C . 34110 1 914 . 1 1 91 91 GLY CA C 13 44.81 0.117 . 1 . . . A 91 GLY CA . 34110 1 915 . 1 1 91 91 GLY N N 15 112.702 0.049 . 1 . . . A 91 GLY N . 34110 1 916 . 1 1 92 92 ALA H H 1 7.851 0.008 . 1 . . . A 92 ALA H . 34110 1 917 . 1 1 92 92 ALA HA H 1 4.454 0.005 . 1 . . . A 92 ALA HA . 34110 1 918 . 1 1 92 92 ALA HB1 H 1 1.487 0.005 . 1 . . . A 92 ALA HB1 . 34110 1 919 . 1 1 92 92 ALA HB2 H 1 1.487 0.005 . 1 . . . A 92 ALA HB2 . 34110 1 920 . 1 1 92 92 ALA HB3 H 1 1.487 0.005 . 1 . . . A 92 ALA HB3 . 34110 1 921 . 1 1 92 92 ALA C C 13 176.337 0 . 1 . . . A 92 ALA C . 34110 1 922 . 1 1 92 92 ALA CA C 13 52.01 0.052 . 1 . . . A 92 ALA CA . 34110 1 923 . 1 1 92 92 ALA CB C 13 19.809 0.061 . 1 . . . A 92 ALA CB . 34110 1 924 . 1 1 92 92 ALA N N 15 122.487 0.077 . 1 . . . A 92 ALA N . 34110 1 925 . 1 1 93 93 THR H H 1 8.202 0.004 . 1 . . . A 93 THR H . 34110 1 926 . 1 1 93 93 THR HA H 1 4.647 0.009 . 1 . . . A 93 THR HA . 34110 1 927 . 1 1 93 93 THR HB H 1 3.981 0.008 . 1 . . . A 93 THR HB . 34110 1 928 . 1 1 93 93 THR HG21 H 1 1.267 0.007 . 1 . . . A 93 THR HG21 . 34110 1 929 . 1 1 93 93 THR HG22 H 1 1.267 0.007 . 1 . . . A 93 THR HG22 . 34110 1 930 . 1 1 93 93 THR HG23 H 1 1.267 0.007 . 1 . . . A 93 THR HG23 . 34110 1 931 . 1 1 93 93 THR C C 13 174.401 0 . 1 . . . A 93 THR C . 34110 1 932 . 1 1 93 93 THR CA C 13 61.08 0.076 . 1 . . . A 93 THR CA . 34110 1 933 . 1 1 93 93 THR CB C 13 70.575 0.135 . 1 . . . A 93 THR CB . 34110 1 934 . 1 1 93 93 THR CG2 C 13 21.47 0.107 . 1 . . . A 93 THR CG2 . 34110 1 935 . 1 1 93 93 THR N N 15 114.524 0.082 . 1 . . . A 93 THR N . 34110 1 936 . 1 1 94 94 ARG H H 1 8.46 0.005 . 1 . . . A 94 ARG H . 34110 1 937 . 1 1 94 94 ARG HA H 1 4.503 0 . 1 . . . A 94 ARG HA . 34110 1 938 . 1 1 94 94 ARG HB2 H 1 1.122 0.015 . 2 . . . A 94 ARG HB2 . 34110 1 939 . 1 1 94 94 ARG HB3 H 1 1.422 0.019 . 2 . . . A 94 ARG HB3 . 34110 1 940 . 1 1 94 94 ARG HD2 H 1 3.007 0.014 . 1 . . . A 94 ARG HD2 . 34110 1 941 . 1 1 94 94 ARG C C 13 176.399 0 . 1 . . . A 94 ARG C . 34110 1 942 . 1 1 94 94 ARG CA C 13 55.087 0.054 . 1 . . . A 94 ARG CA . 34110 1 943 . 1 1 94 94 ARG CB C 13 31.042 0.082 . 1 . . . A 94 ARG CB . 34110 1 944 . 1 1 94 94 ARG CG C 13 28.66 0 . 1 . . . A 94 ARG CG . 34110 1 945 . 1 1 94 94 ARG N N 15 122.865 0.073 . 1 . . . A 94 ARG N . 34110 1 946 . 1 1 95 95 VAL H H 1 8.593 0.007 . 1 . . . A 95 VAL H . 34110 1 947 . 1 1 95 95 VAL HA H 1 5.207 0.007 . 1 . . . A 95 VAL HA . 34110 1 948 . 1 1 95 95 VAL HB H 1 1.845 0.008 . 1 . . . A 95 VAL HB . 34110 1 949 . 1 1 95 95 VAL HG11 H 1 0.793 0.009 . 2 . . . A 95 VAL HG11 . 34110 1 950 . 1 1 95 95 VAL HG12 H 1 0.793 0.009 . 2 . . . A 95 VAL HG12 . 34110 1 951 . 1 1 95 95 VAL HG13 H 1 0.793 0.009 . 2 . . . A 95 VAL HG13 . 34110 1 952 . 1 1 95 95 VAL HG21 H 1 1.01 0.011 . 2 . . . A 95 VAL HG21 . 34110 1 953 . 1 1 95 95 VAL HG22 H 1 1.01 0.011 . 2 . . . A 95 VAL HG22 . 34110 1 954 . 1 1 95 95 VAL HG23 H 1 1.01 0.011 . 2 . . . A 95 VAL HG23 . 34110 1 955 . 1 1 95 95 VAL C C 13 174.28 0 . 1 . . . A 95 VAL C . 34110 1 956 . 1 1 95 95 VAL CA C 13 58.692 0.103 . 1 . . . A 95 VAL CA . 34110 1 957 . 1 1 95 95 VAL CB C 13 35.858 0.069 . 1 . . . A 95 VAL CB . 34110 1 958 . 1 1 95 95 VAL CG1 C 13 20.855 0.14 . 2 . . . A 95 VAL CG1 . 34110 1 959 . 1 1 95 95 VAL CG2 C 13 19.366 0.104 . 2 . . . A 95 VAL CG2 . 34110 1 960 . 1 1 95 95 VAL N N 15 114.557 0.062 . 1 . . . A 95 VAL N . 34110 1 961 . 1 1 96 96 ASP H H 1 7.78 0.005 . 1 . . . A 96 ASP H . 34110 1 962 . 1 1 96 96 ASP HA H 1 4.554 0.007 . 1 . . . A 96 ASP HA . 34110 1 963 . 1 1 96 96 ASP C C 13 177.619 0 . 1 . . . A 96 ASP C . 34110 1 964 . 1 1 96 96 ASP CA C 13 50.504 0.096 . 1 . . . A 96 ASP CA . 34110 1 965 . 1 1 96 96 ASP CB C 13 41.091 0.282 . 1 . . . A 96 ASP CB . 34110 1 966 . 1 1 96 96 ASP N N 15 121.743 0.063 . 1 . . . A 96 ASP N . 34110 1 967 . 1 1 97 97 LEU H H 1 8.195 0.006 . 1 . . . A 97 LEU H . 34110 1 968 . 1 1 97 97 LEU HA H 1 3.96 0.012 . 1 . . . A 97 LEU HA . 34110 1 969 . 1 1 97 97 LEU HB2 H 1 0.942 0.011 . 2 . . . A 97 LEU HB2 . 34110 1 970 . 1 1 97 97 LEU HB3 H 1 1.33 0.013 . 2 . . . A 97 LEU HB3 . 34110 1 971 . 1 1 97 97 LEU HG H 1 1.636 0.008 . 1 . . . A 97 LEU HG . 34110 1 972 . 1 1 97 97 LEU HD11 H 1 0.312 0.009 . 2 . . . A 97 LEU HD11 . 34110 1 973 . 1 1 97 97 LEU HD12 H 1 0.312 0.009 . 2 . . . A 97 LEU HD12 . 34110 1 974 . 1 1 97 97 LEU HD13 H 1 0.312 0.009 . 2 . . . A 97 LEU HD13 . 34110 1 975 . 1 1 97 97 LEU HD21 H 1 0.339 0.007 . 2 . . . A 97 LEU HD21 . 34110 1 976 . 1 1 97 97 LEU HD22 H 1 0.339 0.007 . 2 . . . A 97 LEU HD22 . 34110 1 977 . 1 1 97 97 LEU HD23 H 1 0.339 0.007 . 2 . . . A 97 LEU HD23 . 34110 1 978 . 1 1 97 97 LEU C C 13 177.312 0 . 1 . . . A 97 LEU C . 34110 1 979 . 1 1 97 97 LEU CA C 13 57.527 0.136 . 1 . . . A 97 LEU CA . 34110 1 980 . 1 1 97 97 LEU CB C 13 41.077 0.089 . 1 . . . A 97 LEU CB . 34110 1 981 . 1 1 97 97 LEU CG C 13 25.859 0.043 . 1 . . . A 97 LEU CG . 34110 1 982 . 1 1 97 97 LEU CD1 C 13 25.347 0.088 . 2 . . . A 97 LEU CD1 . 34110 1 983 . 1 1 97 97 LEU CD2 C 13 22.552 0.094 . 2 . . . A 97 LEU CD2 . 34110 1 984 . 1 1 97 97 LEU N N 15 114.121 0.067 . 1 . . . A 97 LEU N . 34110 1 985 . 1 1 98 98 ASP H H 1 7.585 0.005 . 1 . . . A 98 ASP H . 34110 1 986 . 1 1 98 98 ASP HA H 1 4.835 0.018 . 1 . . . A 98 ASP HA . 34110 1 987 . 1 1 98 98 ASP HB2 H 1 2.503 0.009 . 2 . . . A 98 ASP HB2 . 34110 1 988 . 1 1 98 98 ASP HB3 H 1 2.946 0.007 . 2 . . . A 98 ASP HB3 . 34110 1 989 . 1 1 98 98 ASP C C 13 176.109 0 . 1 . . . A 98 ASP C . 34110 1 990 . 1 1 98 98 ASP CA C 13 54.002 0.087 . 1 . . . A 98 ASP CA . 34110 1 991 . 1 1 98 98 ASP CB C 13 42.32 0.125 . 1 . . . A 98 ASP CB . 34110 1 992 . 1 1 98 98 ASP N N 15 112.246 0.094 . 1 . . . A 98 ASP N . 34110 1 993 . 1 1 99 99 GLY H H 1 8.335 0.008 . 1 . . . A 99 GLY H . 34110 1 994 . 1 1 99 99 GLY HA2 H 1 4.13 0.017 . 2 . . . A 99 GLY HA2 . 34110 1 995 . 1 1 99 99 GLY HA3 H 1 3.454 0.006 . 2 . . . A 99 GLY HA3 . 34110 1 996 . 1 1 99 99 GLY C C 13 173.928 0 . 1 . . . A 99 GLY C . 34110 1 997 . 1 1 99 99 GLY CA C 13 45.15 0.13 . 1 . . . A 99 GLY CA . 34110 1 998 . 1 1 99 99 GLY N N 15 107.647 0.075 . 1 . . . A 99 GLY N . 34110 1 999 . 1 1 100 100 ASN H H 1 8.656 0.005 . 1 . . . A 100 ASN H . 34110 1 1000 . 1 1 100 100 ASN HA H 1 4.883 0.01 . 1 . . . A 100 ASN HA . 34110 1 1001 . 1 1 100 100 ASN HB2 H 1 2.612 0.016 . 2 . . . A 100 ASN HB2 . 34110 1 1002 . 1 1 100 100 ASN HB3 H 1 2.92 0.009 . 2 . . . A 100 ASN HB3 . 34110 1 1003 . 1 1 100 100 ASN HD21 H 1 7.253 0.004 . 1 . . . A 100 ASN HD21 . 34110 1 1004 . 1 1 100 100 ASN HD22 H 1 8.434 0.006 . 1 . . . A 100 ASN HD22 . 34110 1 1005 . 1 1 100 100 ASN CA C 13 51.398 0.025 . 1 . . . A 100 ASN CA . 34110 1 1006 . 1 1 100 100 ASN CB C 13 37.264 0.101 . 1 . . . A 100 ASN CB . 34110 1 1007 . 1 1 100 100 ASN N N 15 121.233 0.061 . 1 . . . A 100 ASN N . 34110 1 1008 . 1 1 100 100 ASN ND2 N 15 118.011 0.046 . 1 . . . A 100 ASN ND2 . 34110 1 1009 . 1 1 101 101 PRO HA H 1 4.876 0.007 . 1 . . . A 101 PRO HA . 34110 1 1010 . 1 1 101 101 PRO HB2 H 1 2.093 0.01 . 2 . . . A 101 PRO HB2 . 34110 1 1011 . 1 1 101 101 PRO HB3 H 1 2.239 0.009 . 2 . . . A 101 PRO HB3 . 34110 1 1012 . 1 1 101 101 PRO HG2 H 1 2.311 0.016 . 2 . . . A 101 PRO HG2 . 34110 1 1013 . 1 1 101 101 PRO HG3 H 1 2.034 0.008 . 2 . . . A 101 PRO HG3 . 34110 1 1014 . 1 1 101 101 PRO HD2 H 1 3.909 0.011 . 2 . . . A 101 PRO HD2 . 34110 1 1015 . 1 1 101 101 PRO HD3 H 1 3.805 0.014 . 2 . . . A 101 PRO HD3 . 34110 1 1016 . 1 1 101 101 PRO C C 13 178.78 0 . 1 . . . A 101 PRO C . 34110 1 1017 . 1 1 101 101 PRO CA C 13 62.281 0.028 . 1 . . . A 101 PRO CA . 34110 1 1018 . 1 1 101 101 PRO CB C 13 31.961 0.108 . 1 . . . A 101 PRO CB . 34110 1 1019 . 1 1 101 101 PRO CG C 13 27.449 0.148 . 1 . . . A 101 PRO CG . 34110 1 1020 . 1 1 101 101 PRO CD C 13 50.433 0.097 . 1 . . . A 101 PRO CD . 34110 1 1021 . 1 1 102 102 CYS H H 1 8.817 0.008 . 1 . . . A 102 CYS H . 34110 1 1022 . 1 1 102 102 CYS HA H 1 4.79 0.011 . 1 . . . A 102 CYS HA . 34110 1 1023 . 1 1 102 102 CYS HB2 H 1 2.583 0.003 . 2 . . . A 102 CYS HB2 . 34110 1 1024 . 1 1 102 102 CYS HB3 H 1 2.914 0.009 . 2 . . . A 102 CYS HB3 . 34110 1 1025 . 1 1 102 102 CYS C C 13 173.93 0 . 1 . . . A 102 CYS C . 34110 1 1026 . 1 1 102 102 CYS CA C 13 57.368 0.093 . 1 . . . A 102 CYS CA . 34110 1 1027 . 1 1 102 102 CYS CB C 13 27.665 0.126 . 1 . . . A 102 CYS CB . 34110 1 1028 . 1 1 102 102 CYS N N 15 120.993 0.095 . 1 . . . A 102 CYS N . 34110 1 1029 . 1 1 103 103 GLY H H 1 8.05 0.006 . 1 . . . A 103 GLY H . 34110 1 1030 . 1 1 103 103 GLY HA2 H 1 3.783 0.014 . 2 . . . A 103 GLY HA2 . 34110 1 1031 . 1 1 103 103 GLY HA3 H 1 4.412 0.007 . 2 . . . A 103 GLY HA3 . 34110 1 1032 . 1 1 103 103 GLY C C 13 172.515 0 . 1 . . . A 103 GLY C . 34110 1 1033 . 1 1 103 103 GLY CA C 13 44.386 0.093 . 1 . . . A 103 GLY CA . 34110 1 1034 . 1 1 103 103 GLY N N 15 110.315 0.062 . 1 . . . A 103 GLY N . 34110 1 1035 . 1 1 104 104 GLU H H 1 8.422 0.005 . 1 . . . A 104 GLU H . 34110 1 1036 . 1 1 104 104 GLU HA H 1 4.793 0.011 . 1 . . . A 104 GLU HA . 34110 1 1037 . 1 1 104 104 GLU HB2 H 1 1.953 0.019 . 1 . . . A 104 GLU HB2 . 34110 1 1038 . 1 1 104 104 GLU HG2 H 1 2.277 0.023 . 1 . . . A 104 GLU HG2 . 34110 1 1039 . 1 1 104 104 GLU C C 13 177.185 0 . 1 . . . A 104 GLU C . 34110 1 1040 . 1 1 104 104 GLU CA C 13 55.224 0.041 . 1 . . . A 104 GLU CA . 34110 1 1041 . 1 1 104 104 GLU CB C 13 31.357 0.054 . 1 . . . A 104 GLU CB . 34110 1 1042 . 1 1 104 104 GLU CG C 13 35.973 0.045 . 1 . . . A 104 GLU CG . 34110 1 1043 . 1 1 104 104 GLU N N 15 119.941 0.072 . 1 . . . A 104 GLU N . 34110 1 1044 . 1 1 105 105 LEU H H 1 8.536 0.006 . 1 . . . A 105 LEU H . 34110 1 1045 . 1 1 105 105 LEU HA H 1 4.334 0.015 . 1 . . . A 105 LEU HA . 34110 1 1046 . 1 1 105 105 LEU HB2 H 1 1.806 0.011 . 2 . . . A 105 LEU HB2 . 34110 1 1047 . 1 1 105 105 LEU HB3 H 1 1.483 0.009 . 2 . . . A 105 LEU HB3 . 34110 1 1048 . 1 1 105 105 LEU HG H 1 2.002 0.011 . 1 . . . A 105 LEU HG . 34110 1 1049 . 1 1 105 105 LEU HD11 H 1 0.932 0.016 . 2 . . . A 105 LEU HD11 . 34110 1 1050 . 1 1 105 105 LEU HD12 H 1 0.932 0.016 . 2 . . . A 105 LEU HD12 . 34110 1 1051 . 1 1 105 105 LEU HD13 H 1 0.932 0.016 . 2 . . . A 105 LEU HD13 . 34110 1 1052 . 1 1 105 105 LEU HD21 H 1 0.733 0.009 . 2 . . . A 105 LEU HD21 . 34110 1 1053 . 1 1 105 105 LEU HD22 H 1 0.733 0.009 . 2 . . . A 105 LEU HD22 . 34110 1 1054 . 1 1 105 105 LEU HD23 H 1 0.733 0.009 . 2 . . . A 105 LEU HD23 . 34110 1 1055 . 1 1 105 105 LEU C C 13 176.555 0 . 1 . . . A 105 LEU C . 34110 1 1056 . 1 1 105 105 LEU CA C 13 54.231 0.095 . 1 . . . A 105 LEU CA . 34110 1 1057 . 1 1 105 105 LEU CB C 13 42.137 0.087 . 1 . . . A 105 LEU CB . 34110 1 1058 . 1 1 105 105 LEU CD1 C 13 26.726 0.11 . 2 . . . A 105 LEU CD1 . 34110 1 1059 . 1 1 105 105 LEU CD2 C 13 23.371 0.083 . 2 . . . A 105 LEU CD2 . 34110 1 1060 . 1 1 105 105 LEU N N 15 123.662 0.107 . 1 . . . A 105 LEU N . 34110 1 1061 . 1 1 106 106 ASP H H 1 8.665 0.023 . 1 . . . A 106 ASP H . 34110 1 1062 . 1 1 106 106 ASP HA H 1 4.827 0.009 . 1 . . . A 106 ASP HA . 34110 1 1063 . 1 1 106 106 ASP HB2 H 1 3.034 0.016 . 2 . . . A 106 ASP HB2 . 34110 1 1064 . 1 1 106 106 ASP HB3 H 1 2.76 0.006 . 2 . . . A 106 ASP HB3 . 34110 1 1065 . 1 1 106 106 ASP C C 13 176.15 0 . 1 . . . A 106 ASP C . 34110 1 1066 . 1 1 106 106 ASP CA C 13 52.089 0.009 . 1 . . . A 106 ASP CA . 34110 1 1067 . 1 1 106 106 ASP CB C 13 41.903 0.119 . 1 . . . A 106 ASP CB . 34110 1 1068 . 1 1 106 106 ASP N N 15 122.541 0.07 . 1 . . . A 106 ASP N . 34110 1 1069 . 1 1 107 107 GLU H H 1 8.815 0.006 . 1 . . . A 107 GLU H . 34110 1 1070 . 1 1 107 107 GLU HA H 1 4.013 0.006 . 1 . . . A 107 GLU HA . 34110 1 1071 . 1 1 107 107 GLU HB2 H 1 2.079 0.003 . 1 . . . A 107 GLU HB2 . 34110 1 1072 . 1 1 107 107 GLU HG2 H 1 2.363 0.003 . 1 . . . A 107 GLU HG2 . 34110 1 1073 . 1 1 107 107 GLU C C 13 178.451 0 . 1 . . . A 107 GLU C . 34110 1 1074 . 1 1 107 107 GLU CA C 13 59.112 0.128 . 1 . . . A 107 GLU CA . 34110 1 1075 . 1 1 107 107 GLU CB C 13 29.162 0.075 . 1 . . . A 107 GLU CB . 34110 1 1076 . 1 1 107 107 GLU CG C 13 35.861 0.057 . 1 . . . A 107 GLU CG . 34110 1 1077 . 1 1 107 107 GLU N N 15 119.965 0.048 . 1 . . . A 107 GLU N . 34110 1 1078 . 1 1 108 108 GLN H H 1 8.644 0.008 . 1 . . . A 108 GLN H . 34110 1 1079 . 1 1 108 108 GLN HA H 1 4.116 0.009 . 1 . . . A 108 GLN HA . 34110 1 1080 . 1 1 108 108 GLN HB2 H 1 1.978 0.012 . 2 . . . A 108 GLN HB2 . 34110 1 1081 . 1 1 108 108 GLN HB3 H 1 2.083 0.004 . 2 . . . A 108 GLN HB3 . 34110 1 1082 . 1 1 108 108 GLN HG2 H 1 2.299 0.002 . 1 . . . A 108 GLN HG2 . 34110 1 1083 . 1 1 108 108 GLN C C 13 178.362 0 . 1 . . . A 108 GLN C . 34110 1 1084 . 1 1 108 108 GLN CA C 13 58.454 0.088 . 1 . . . A 108 GLN CA . 34110 1 1085 . 1 1 108 108 GLN CB C 13 27.755 0.111 . 1 . . . A 108 GLN CB . 34110 1 1086 . 1 1 108 108 GLN CG C 13 33.851 0.034 . 1 . . . A 108 GLN CG . 34110 1 1087 . 1 1 108 108 GLN N N 15 118.465 0.049 . 1 . . . A 108 GLN N . 34110 1 1088 . 1 1 109 109 HIS H H 1 8.144 0.006 . 1 . . . A 109 HIS H . 34110 1 1089 . 1 1 109 109 HIS HA H 1 4.404 0.009 . 1 . . . A 109 HIS HA . 34110 1 1090 . 1 1 109 109 HIS HB2 H 1 3.232 0.015 . 1 . . . A 109 HIS HB2 . 34110 1 1091 . 1 1 109 109 HIS HD2 H 1 7.794 0 . 1 . . . A 109 HIS HD2 . 34110 1 1092 . 1 1 109 109 HIS C C 13 177.88 0 . 1 . . . A 109 HIS C . 34110 1 1093 . 1 1 109 109 HIS CA C 13 59.494 0.105 . 1 . . . A 109 HIS CA . 34110 1 1094 . 1 1 109 109 HIS CB C 13 29.392 0.138 . 1 . . . A 109 HIS CB . 34110 1 1095 . 1 1 109 109 HIS N N 15 118.177 0.064 . 1 . . . A 109 HIS N . 34110 1 1096 . 1 1 110 110 VAL H H 1 7.9 0.011 . 1 . . . A 110 VAL H . 34110 1 1097 . 1 1 110 110 VAL HA H 1 3.741 0.013 . 1 . . . A 110 VAL HA . 34110 1 1098 . 1 1 110 110 VAL HB H 1 2.189 0.011 . 1 . . . A 110 VAL HB . 34110 1 1099 . 1 1 110 110 VAL HG11 H 1 0.835 0.008 . 2 . . . A 110 VAL HG11 . 34110 1 1100 . 1 1 110 110 VAL HG12 H 1 0.835 0.008 . 2 . . . A 110 VAL HG12 . 34110 1 1101 . 1 1 110 110 VAL HG13 H 1 0.835 0.008 . 2 . . . A 110 VAL HG13 . 34110 1 1102 . 1 1 110 110 VAL HG21 H 1 0.845 0.005 . 2 . . . A 110 VAL HG21 . 34110 1 1103 . 1 1 110 110 VAL HG22 H 1 0.845 0.005 . 2 . . . A 110 VAL HG22 . 34110 1 1104 . 1 1 110 110 VAL HG23 H 1 0.845 0.005 . 2 . . . A 110 VAL HG23 . 34110 1 1105 . 1 1 110 110 VAL C C 13 177.423 0 . 1 . . . A 110 VAL C . 34110 1 1106 . 1 1 110 110 VAL CA C 13 65.474 0.098 . 1 . . . A 110 VAL CA . 34110 1 1107 . 1 1 110 110 VAL CB C 13 31.566 0.061 . 1 . . . A 110 VAL CB . 34110 1 1108 . 1 1 110 110 VAL N N 15 120.939 0.079 . 1 . . . A 110 VAL N . 34110 1 1109 . 1 1 111 111 GLU H H 1 8.426 0.01 . 1 . . . A 111 GLU H . 34110 1 1110 . 1 1 111 111 GLU HA H 1 4.148 0.006 . 1 . . . A 111 GLU HA . 34110 1 1111 . 1 1 111 111 GLU HB2 H 1 2.063 0.016 . 2 . . . A 111 GLU HB2 . 34110 1 1112 . 1 1 111 111 GLU HB3 H 1 2.335 0.003 . 2 . . . A 111 GLU HB3 . 34110 1 1113 . 1 1 111 111 GLU HG2 H 1 2.374 0.009 . 1 . . . A 111 GLU HG2 . 34110 1 1114 . 1 1 111 111 GLU C C 13 178.411 0 . 1 . . . A 111 GLU C . 34110 1 1115 . 1 1 111 111 GLU CA C 13 58.646 0.076 . 1 . . . A 111 GLU CA . 34110 1 1116 . 1 1 111 111 GLU CB C 13 28.997 0.107 . 1 . . . A 111 GLU CB . 34110 1 1117 . 1 1 111 111 GLU CG C 13 35.509 0 . 1 . . . A 111 GLU CG . 34110 1 1118 . 1 1 111 111 GLU N N 15 120.653 0.094 . 1 . . . A 111 GLU N . 34110 1 1119 . 1 1 112 112 HIS H H 1 8.179 0.011 . 1 . . . A 112 HIS H . 34110 1 1120 . 1 1 112 112 HIS HA H 1 4.428 0.008 . 1 . . . A 112 HIS HA . 34110 1 1121 . 1 1 112 112 HIS HB2 H 1 3.299 0.008 . 1 . . . A 112 HIS HB2 . 34110 1 1122 . 1 1 112 112 HIS HD2 H 1 7.229 0 . 1 . . . A 112 HIS HD2 . 34110 1 1123 . 1 1 112 112 HIS C C 13 177.019 0 . 1 . . . A 112 HIS C . 34110 1 1124 . 1 1 112 112 HIS CA C 13 58.557 0.123 . 1 . . . A 112 HIS CA . 34110 1 1125 . 1 1 112 112 HIS CB C 13 29.27 0.143 . 1 . . . A 112 HIS CB . 34110 1 1126 . 1 1 112 112 HIS N N 15 117.463 0.053 . 1 . . . A 112 HIS N . 34110 1 1127 . 1 1 113 113 ALA H H 1 7.939 0.008 . 1 . . . A 113 ALA H . 34110 1 1128 . 1 1 113 113 ALA HA H 1 4.263 0.011 . 1 . . . A 113 ALA HA . 34110 1 1129 . 1 1 113 113 ALA HB1 H 1 1.652 0.006 . 1 . . . A 113 ALA HB1 . 34110 1 1130 . 1 1 113 113 ALA HB2 H 1 1.652 0.006 . 1 . . . A 113 ALA HB2 . 34110 1 1131 . 1 1 113 113 ALA HB3 H 1 1.652 0.006 . 1 . . . A 113 ALA HB3 . 34110 1 1132 . 1 1 113 113 ALA C C 13 178.88 0 . 1 . . . A 113 ALA C . 34110 1 1133 . 1 1 113 113 ALA CA C 13 54.684 0.064 . 1 . . . A 113 ALA CA . 34110 1 1134 . 1 1 113 113 ALA CB C 13 18.475 0.058 . 1 . . . A 113 ALA CB . 34110 1 1135 . 1 1 113 113 ALA N N 15 122.053 0.08 . 1 . . . A 113 ALA N . 34110 1 1136 . 1 1 114 114 ARG H H 1 8.295 0.008 . 1 . . . A 114 ARG H . 34110 1 1137 . 1 1 114 114 ARG HA H 1 4.031 0.017 . 1 . . . A 114 ARG HA . 34110 1 1138 . 1 1 114 114 ARG HB2 H 1 1.934 0.02 . 1 . . . A 114 ARG HB2 . 34110 1 1139 . 1 1 114 114 ARG C C 13 179.002 0 . 1 . . . A 114 ARG C . 34110 1 1140 . 1 1 114 114 ARG CA C 13 59.003 0.081 . 1 . . . A 114 ARG CA . 34110 1 1141 . 1 1 114 114 ARG CB C 13 29.631 0.091 . 1 . . . A 114 ARG CB . 34110 1 1142 . 1 1 114 114 ARG CG C 13 27.213 0 . 1 . . . A 114 ARG CG . 34110 1 1143 . 1 1 114 114 ARG N N 15 118.199 0.076 . 1 . . . A 114 ARG N . 34110 1 1144 . 1 1 115 115 LYS H H 1 8.155 0.004 . 1 . . . A 115 LYS H . 34110 1 1145 . 1 1 115 115 LYS HA H 1 4.108 0.005 . 1 . . . A 115 LYS HA . 34110 1 1146 . 1 1 115 115 LYS HB2 H 1 1.939 0.004 . 1 . . . A 115 LYS HB2 . 34110 1 1147 . 1 1 115 115 LYS HG2 H 1 1.474 0.002 . 2 . . . A 115 LYS HG2 . 34110 1 1148 . 1 1 115 115 LYS HG3 H 1 1.455 0.008 . 2 . . . A 115 LYS HG3 . 34110 1 1149 . 1 1 115 115 LYS HE2 H 1 3.248 0 . 1 . . . A 115 LYS HE2 . 34110 1 1150 . 1 1 115 115 LYS C C 13 178.667 0 . 1 . . . A 115 LYS C . 34110 1 1151 . 1 1 115 115 LYS CA C 13 58.558 0.106 . 1 . . . A 115 LYS CA . 34110 1 1152 . 1 1 115 115 LYS CB C 13 31.786 0.068 . 1 . . . A 115 LYS CB . 34110 1 1153 . 1 1 115 115 LYS CG C 13 24.76 0.042 . 1 . . . A 115 LYS CG . 34110 1 1154 . 1 1 115 115 LYS N N 15 119.758 0.071 . 1 . . . A 115 LYS N . 34110 1 1155 . 1 1 116 116 GLN H H 1 8.063 0.005 . 1 . . . A 116 GLN H . 34110 1 1156 . 1 1 116 116 GLN HA H 1 4.107 0.006 . 1 . . . A 116 GLN HA . 34110 1 1157 . 1 1 116 116 GLN HG2 H 1 2.308 0.016 . 1 . . . A 116 GLN HG2 . 34110 1 1158 . 1 1 116 116 GLN HE21 H 1 7.344 0.004 . 1 . . . A 116 GLN HE21 . 34110 1 1159 . 1 1 116 116 GLN HE22 H 1 6.853 0.003 . 1 . . . A 116 GLN HE22 . 34110 1 1160 . 1 1 116 116 GLN C C 13 178.921 0 . 1 . . . A 116 GLN C . 34110 1 1161 . 1 1 116 116 GLN CA C 13 58.424 0.098 . 1 . . . A 116 GLN CA . 34110 1 1162 . 1 1 116 116 GLN CB C 13 28.961 0.086 . 1 . . . A 116 GLN CB . 34110 1 1163 . 1 1 116 116 GLN CG C 13 33.877 0.076 . 1 . . . A 116 GLN CG . 34110 1 1164 . 1 1 116 116 GLN N N 15 118.987 0.063 . 1 . . . A 116 GLN N . 34110 1 1165 . 1 1 116 116 GLN NE2 N 15 110.72 0.043 . 1 . . . A 116 GLN NE2 . 34110 1 1166 . 1 1 117 117 LEU H H 1 8.272 0.011 . 1 . . . A 117 LEU H . 34110 1 1167 . 1 1 117 117 LEU HA H 1 3.986 0.015 . 1 . . . A 117 LEU HA . 34110 1 1168 . 1 1 117 117 LEU HB2 H 1 1.203 0.018 . 2 . . . A 117 LEU HB2 . 34110 1 1169 . 1 1 117 117 LEU HB3 H 1 1.751 0.02 . 2 . . . A 117 LEU HB3 . 34110 1 1170 . 1 1 117 117 LEU HG H 1 1.53 0.012 . 1 . . . A 117 LEU HG . 34110 1 1171 . 1 1 117 117 LEU HD11 H 1 0.635 0.007 . 1 . . . A 117 LEU HD11 . 34110 1 1172 . 1 1 117 117 LEU HD12 H 1 0.635 0.007 . 1 . . . A 117 LEU HD12 . 34110 1 1173 . 1 1 117 117 LEU HD13 H 1 0.635 0.007 . 1 . . . A 117 LEU HD13 . 34110 1 1174 . 1 1 117 117 LEU C C 13 178.432 0 . 1 . . . A 117 LEU C . 34110 1 1175 . 1 1 117 117 LEU CA C 13 57.38 0.081 . 1 . . . A 117 LEU CA . 34110 1 1176 . 1 1 117 117 LEU CB C 13 41.666 0.09 . 1 . . . A 117 LEU CB . 34110 1 1177 . 1 1 117 117 LEU CG C 13 26.652 0.079 . 1 . . . A 117 LEU CG . 34110 1 1178 . 1 1 117 117 LEU CD1 C 13 23.923 0.083 . 2 . . . A 117 LEU CD1 . 34110 1 1179 . 1 1 117 117 LEU CD2 C 13 24.126 0 . 2 . . . A 117 LEU CD2 . 34110 1 1180 . 1 1 117 117 LEU N N 15 121.573 0.057 . 1 . . . A 117 LEU N . 34110 1 1181 . 1 1 118 118 GLU H H 1 8.212 0.003 . 1 . . . A 118 GLU H . 34110 1 1182 . 1 1 118 118 GLU HA H 1 4.013 0.009 . 1 . . . A 118 GLU HA . 34110 1 1183 . 1 1 118 118 GLU HG2 H 1 2.495 0 . 1 . . . A 118 GLU HG2 . 34110 1 1184 . 1 1 118 118 GLU C C 13 179.424 0 . 1 . . . A 118 GLU C . 34110 1 1185 . 1 1 118 118 GLU CA C 13 58.783 0.131 . 1 . . . A 118 GLU CA . 34110 1 1186 . 1 1 118 118 GLU CB C 13 29.274 0.009 . 1 . . . A 118 GLU CB . 34110 1 1187 . 1 1 118 118 GLU N N 15 119.311 0.061 . 1 . . . A 118 GLU N . 34110 1 1188 . 1 1 119 119 GLU H H 1 8.274 0.005 . 1 . . . A 119 GLU H . 34110 1 1189 . 1 1 119 119 GLU HA H 1 4.122 0.008 . 1 . . . A 119 GLU HA . 34110 1 1190 . 1 1 119 119 GLU HB2 H 1 2.132 0.015 . 2 . . . A 119 GLU HB2 . 34110 1 1191 . 1 1 119 119 GLU HB3 H 1 2.332 0.006 . 2 . . . A 119 GLU HB3 . 34110 1 1192 . 1 1 119 119 GLU HG2 H 1 2.461 0.023 . 1 . . . A 119 GLU HG2 . 34110 1 1193 . 1 1 119 119 GLU C C 13 178.331 0 . 1 . . . A 119 GLU C . 34110 1 1194 . 1 1 119 119 GLU CA C 13 58.544 0.057 . 1 . . . A 119 GLU CA . 34110 1 1195 . 1 1 119 119 GLU CB C 13 29.408 0.058 . 1 . . . A 119 GLU CB . 34110 1 1196 . 1 1 119 119 GLU CG C 13 36.119 0.118 . 1 . . . A 119 GLU CG . 34110 1 1197 . 1 1 119 119 GLU N N 15 119.886 0.087 . 1 . . . A 119 GLU N . 34110 1 1198 . 1 1 120 120 ALA H H 1 8.044 0.006 . 1 . . . A 120 ALA H . 34110 1 1199 . 1 1 120 120 ALA HA H 1 4.236 0.016 . 1 . . . A 120 ALA HA . 34110 1 1200 . 1 1 120 120 ALA HB1 H 1 1.549 0.007 . 1 . . . A 120 ALA HB1 . 34110 1 1201 . 1 1 120 120 ALA HB2 H 1 1.549 0.007 . 1 . . . A 120 ALA HB2 . 34110 1 1202 . 1 1 120 120 ALA HB3 H 1 1.549 0.007 . 1 . . . A 120 ALA HB3 . 34110 1 1203 . 1 1 120 120 ALA C C 13 179.984 0 . 1 . . . A 120 ALA C . 34110 1 1204 . 1 1 120 120 ALA CA C 13 54.289 0.134 . 1 . . . A 120 ALA CA . 34110 1 1205 . 1 1 120 120 ALA CB C 13 18.075 0.068 . 1 . . . A 120 ALA CB . 34110 1 1206 . 1 1 120 120 ALA N N 15 122.321 0.071 . 1 . . . A 120 ALA N . 34110 1 1207 . 1 1 121 121 LYS H H 1 8.211 0.004 . 1 . . . A 121 LYS H . 34110 1 1208 . 1 1 121 121 LYS HA H 1 4.086 0.014 . 1 . . . A 121 LYS HA . 34110 1 1209 . 1 1 121 121 LYS HB2 H 1 1.864 0.005 . 2 . . . A 121 LYS HB2 . 34110 1 1210 . 1 1 121 121 LYS HB3 H 1 1.587 0.003 . 2 . . . A 121 LYS HB3 . 34110 1 1211 . 1 1 121 121 LYS HG2 H 1 1.257 0.007 . 2 . . . A 121 LYS HG2 . 34110 1 1212 . 1 1 121 121 LYS HG3 H 1 1.419 0.007 . 2 . . . A 121 LYS HG3 . 34110 1 1213 . 1 1 121 121 LYS HD2 H 1 1.599 0.004 . 1 . . . A 121 LYS HD2 . 34110 1 1214 . 1 1 121 121 LYS HE2 H 1 2.849 0.011 . 1 . . . A 121 LYS HE2 . 34110 1 1215 . 1 1 121 121 LYS C C 13 178.17 0 . 1 . . . A 121 LYS C . 34110 1 1216 . 1 1 121 121 LYS CA C 13 58.49 0.113 . 1 . . . A 121 LYS CA . 34110 1 1217 . 1 1 121 121 LYS CB C 13 32.13 0.058 . 1 . . . A 121 LYS CB . 34110 1 1218 . 1 1 121 121 LYS CG C 13 24.849 0.065 . 1 . . . A 121 LYS CG . 34110 1 1219 . 1 1 121 121 LYS CD C 13 29.126 0.083 . 1 . . . A 121 LYS CD . 34110 1 1220 . 1 1 121 121 LYS CE C 13 41.761 0.059 . 1 . . . A 121 LYS CE . 34110 1 1221 . 1 1 121 121 LYS N N 15 118.342 0.071 . 1 . . . A 121 LYS N . 34110 1 1222 . 1 1 122 122 ALA H H 1 7.891 0.006 . 1 . . . A 122 ALA H . 34110 1 1223 . 1 1 122 122 ALA HA H 1 4.239 0.006 . 1 . . . A 122 ALA HA . 34110 1 1224 . 1 1 122 122 ALA HB1 H 1 1.505 0.008 . 1 . . . A 122 ALA HB1 . 34110 1 1225 . 1 1 122 122 ALA HB2 H 1 1.505 0.008 . 1 . . . A 122 ALA HB2 . 34110 1 1226 . 1 1 122 122 ALA HB3 H 1 1.505 0.008 . 1 . . . A 122 ALA HB3 . 34110 1 1227 . 1 1 122 122 ALA C C 13 179.342 0 . 1 . . . A 122 ALA C . 34110 1 1228 . 1 1 122 122 ALA CA C 13 53.704 0.076 . 1 . . . A 122 ALA CA . 34110 1 1229 . 1 1 122 122 ALA CB C 13 18.026 0.074 . 1 . . . A 122 ALA CB . 34110 1 1230 . 1 1 122 122 ALA N N 15 121.476 0.088 . 1 . . . A 122 ALA N . 34110 1 1231 . 1 1 123 123 ARG H H 1 7.923 0.007 . 1 . . . A 123 ARG H . 34110 1 1232 . 1 1 123 123 ARG HA H 1 4.261 0.005 . 1 . . . A 123 ARG HA . 34110 1 1233 . 1 1 123 123 ARG HB2 H 1 1.979 0.007 . 2 . . . A 123 ARG HB2 . 34110 1 1234 . 1 1 123 123 ARG HB3 H 1 1.712 0.022 . 2 . . . A 123 ARG HB3 . 34110 1 1235 . 1 1 123 123 ARG HG2 H 1 1.82 0.011 . 1 . . . A 123 ARG HG2 . 34110 1 1236 . 1 1 123 123 ARG HD2 H 1 3.26 0.011 . 1 . . . A 123 ARG HD2 . 34110 1 1237 . 1 1 123 123 ARG C C 13 177.733 0 . 1 . . . A 123 ARG C . 34110 1 1238 . 1 1 123 123 ARG CA C 13 57.598 0.134 . 1 . . . A 123 ARG CA . 34110 1 1239 . 1 1 123 123 ARG CB C 13 30.132 0.066 . 1 . . . A 123 ARG CB . 34110 1 1240 . 1 1 123 123 ARG CG C 13 27.057 0.166 . 1 . . . A 123 ARG CG . 34110 1 1241 . 1 1 123 123 ARG CD C 13 43.115 0.077 . 1 . . . A 123 ARG CD . 34110 1 1242 . 1 1 123 123 ARG N N 15 118.575 0.05 . 1 . . . A 123 ARG N . 34110 1 1243 . 1 1 124 124 VAL H H 1 7.872 0.004 . 1 . . . A 124 VAL H . 34110 1 1244 . 1 1 124 124 VAL HA H 1 4.02 0.009 . 1 . . . A 124 VAL HA . 34110 1 1245 . 1 1 124 124 VAL HB H 1 2.228 0.007 . 1 . . . A 124 VAL HB . 34110 1 1246 . 1 1 124 124 VAL HG11 H 1 1.005 0.009 . 2 . . . A 124 VAL HG11 . 34110 1 1247 . 1 1 124 124 VAL HG12 H 1 1.005 0.009 . 2 . . . A 124 VAL HG12 . 34110 1 1248 . 1 1 124 124 VAL HG13 H 1 1.005 0.009 . 2 . . . A 124 VAL HG13 . 34110 1 1249 . 1 1 124 124 VAL HG21 H 1 1.13 0.008 . 2 . . . A 124 VAL HG21 . 34110 1 1250 . 1 1 124 124 VAL HG22 H 1 1.13 0.008 . 2 . . . A 124 VAL HG22 . 34110 1 1251 . 1 1 124 124 VAL HG23 H 1 1.13 0.008 . 2 . . . A 124 VAL HG23 . 34110 1 1252 . 1 1 124 124 VAL C C 13 177.382 0 . 1 . . . A 124 VAL C . 34110 1 1253 . 1 1 124 124 VAL CA C 13 63.796 0.199 . 1 . . . A 124 VAL CA . 34110 1 1254 . 1 1 124 124 VAL CB C 13 31.862 0.14 . 1 . . . A 124 VAL CB . 34110 1 1255 . 1 1 124 124 VAL CG1 C 13 20.901 0.096 . 2 . . . A 124 VAL CG1 . 34110 1 1256 . 1 1 124 124 VAL CG2 C 13 21.422 0.088 . 2 . . . A 124 VAL CG2 . 34110 1 1257 . 1 1 124 124 VAL N N 15 119.177 0.038 . 1 . . . A 124 VAL N . 34110 1 1258 . 1 1 125 125 GLN H H 1 8.185 0.006 . 1 . . . A 125 GLN H . 34110 1 1259 . 1 1 125 125 GLN HA H 1 4.239 0.013 . 1 . . . A 125 GLN HA . 34110 1 1260 . 1 1 125 125 GLN HB2 H 1 2.127 0.014 . 1 . . . A 125 GLN HB2 . 34110 1 1261 . 1 1 125 125 GLN HG2 H 1 2.457 0.013 . 1 . . . A 125 GLN HG2 . 34110 1 1262 . 1 1 125 125 GLN C C 13 176.739 0 . 1 . . . A 125 GLN C . 34110 1 1263 . 1 1 125 125 GLN CA C 13 56.834 0.124 . 1 . . . A 125 GLN CA . 34110 1 1264 . 1 1 125 125 GLN CB C 13 28.669 0.072 . 1 . . . A 125 GLN CB . 34110 1 1265 . 1 1 125 125 GLN CG C 13 33.66 0.024 . 1 . . . A 125 GLN CG . 34110 1 1266 . 1 1 125 125 GLN N N 15 121.108 0.087 . 1 . . . A 125 GLN N . 34110 1 1267 . 1 1 126 126 ALA H H 1 8.122 0.005 . 1 . . . A 126 ALA H . 34110 1 1268 . 1 1 126 126 ALA HA H 1 4.284 0.012 . 1 . . . A 126 ALA HA . 34110 1 1269 . 1 1 126 126 ALA HB1 H 1 1.481 0.005 . 1 . . . A 126 ALA HB1 . 34110 1 1270 . 1 1 126 126 ALA HB2 H 1 1.481 0.005 . 1 . . . A 126 ALA HB2 . 34110 1 1271 . 1 1 126 126 ALA HB3 H 1 1.481 0.005 . 1 . . . A 126 ALA HB3 . 34110 1 1272 . 1 1 126 126 ALA C C 13 178.343 0 . 1 . . . A 126 ALA C . 34110 1 1273 . 1 1 126 126 ALA CA C 13 53.081 0.017 . 1 . . . A 126 ALA CA . 34110 1 1274 . 1 1 126 126 ALA CB C 13 18.45 0.103 . 1 . . . A 126 ALA CB . 34110 1 1275 . 1 1 126 126 ALA N N 15 123.023 0.091 . 1 . . . A 126 ALA N . 34110 1 1276 . 1 1 127 127 GLN H H 1 8.14 0.007 . 1 . . . A 127 GLN H . 34110 1 1277 . 1 1 127 127 GLN HA H 1 4.28 0.008 . 1 . . . A 127 GLN HA . 34110 1 1278 . 1 1 127 127 GLN HB2 H 1 2.137 0.012 . 1 . . . A 127 GLN HB2 . 34110 1 1279 . 1 1 127 127 GLN HG2 H 1 2.463 0.011 . 1 . . . A 127 GLN HG2 . 34110 1 1280 . 1 1 127 127 GLN C C 13 176.552 0 . 1 . . . A 127 GLN C . 34110 1 1281 . 1 1 127 127 GLN CA C 13 56.258 0.118 . 1 . . . A 127 GLN CA . 34110 1 1282 . 1 1 127 127 GLN CB C 13 28.85 0.036 . 1 . . . A 127 GLN CB . 34110 1 1283 . 1 1 127 127 GLN CG C 13 33.765 0 . 1 . . . A 127 GLN CG . 34110 1 1284 . 1 1 127 127 GLN N N 15 118.196 0.064 . 1 . . . A 127 GLN N . 34110 1 1285 . 1 1 128 128 ARG H H 1 8.199 0.012 . 1 . . . A 128 ARG H . 34110 1 1286 . 1 1 128 128 ARG HA H 1 4.284 0.01 . 1 . . . A 128 ARG HA . 34110 1 1287 . 1 1 128 128 ARG HB2 H 1 1.898 0.016 . 1 . . . A 128 ARG HB2 . 34110 1 1288 . 1 1 128 128 ARG HG2 H 1 1.698 0.01 . 1 . . . A 128 ARG HG2 . 34110 1 1289 . 1 1 128 128 ARG HD2 H 1 3.221 0.013 . 1 . . . A 128 ARG HD2 . 34110 1 1290 . 1 1 128 128 ARG C C 13 176.433 0 . 1 . . . A 128 ARG C . 34110 1 1291 . 1 1 128 128 ARG CA C 13 56.3 0.057 . 1 . . . A 128 ARG CA . 34110 1 1292 . 1 1 128 128 ARG CB C 13 30.322 0.094 . 1 . . . A 128 ARG CB . 34110 1 1293 . 1 1 128 128 ARG CG C 13 26.92 0.051 . 1 . . . A 128 ARG CG . 34110 1 1294 . 1 1 128 128 ARG CD C 13 43.238 0.06 . 1 . . . A 128 ARG CD . 34110 1 1295 . 1 1 128 128 ARG N N 15 120.937 0.099 . 1 . . . A 128 ARG N . 34110 1 1296 . 1 1 129 129 ALA H H 1 8.241 0.006 . 1 . . . A 129 ALA H . 34110 1 1297 . 1 1 129 129 ALA HA H 1 4.305 0.01 . 1 . . . A 129 ALA HA . 34110 1 1298 . 1 1 129 129 ALA HB1 H 1 1.45 0.012 . 1 . . . A 129 ALA HB1 . 34110 1 1299 . 1 1 129 129 ALA HB2 H 1 1.45 0.012 . 1 . . . A 129 ALA HB2 . 34110 1 1300 . 1 1 129 129 ALA HB3 H 1 1.45 0.012 . 1 . . . A 129 ALA HB3 . 34110 1 1301 . 1 1 129 129 ALA C C 13 177.969 0 . 1 . . . A 129 ALA C . 34110 1 1302 . 1 1 129 129 ALA CA C 13 52.652 0.09 . 1 . . . A 129 ALA CA . 34110 1 1303 . 1 1 129 129 ALA CB C 13 18.705 0.073 . 1 . . . A 129 ALA CB . 34110 1 1304 . 1 1 129 129 ALA N N 15 124.087 0.08 . 1 . . . A 129 ALA N . 34110 1 1305 . 1 1 130 130 GLU H H 1 8.31 0.005 . 1 . . . A 130 GLU H . 34110 1 1306 . 1 1 130 130 GLU HA H 1 4.273 0.013 . 1 . . . A 130 GLU HA . 34110 1 1307 . 1 1 130 130 GLU HB2 H 1 2.032 0.006 . 1 . . . A 130 GLU HB2 . 34110 1 1308 . 1 1 130 130 GLU HG2 H 1 2.315 0.011 . 1 . . . A 130 GLU HG2 . 34110 1 1309 . 1 1 130 130 GLU C C 13 176.525 0 . 1 . . . A 130 GLU C . 34110 1 1310 . 1 1 130 130 GLU CA C 13 56.568 0.032 . 1 . . . A 130 GLU CA . 34110 1 1311 . 1 1 130 130 GLU CB C 13 29.821 0.021 . 1 . . . A 130 GLU CB . 34110 1 1312 . 1 1 130 130 GLU CG C 13 35.942 0.031 . 1 . . . A 130 GLU CG . 34110 1 1313 . 1 1 130 130 GLU N N 15 119.038 0.056 . 1 . . . A 130 GLU N . 34110 1 1314 . 1 1 131 131 GLN H H 1 8.265 0.008 . 1 . . . A 131 GLN H . 34110 1 1315 . 1 1 131 131 GLN HA H 1 4.333 0.007 . 1 . . . A 131 GLN HA . 34110 1 1316 . 1 1 131 131 GLN HB2 H 1 2.035 0.024 . 2 . . . A 131 GLN HB2 . 34110 1 1317 . 1 1 131 131 GLN HB3 H 1 2.125 0 . 2 . . . A 131 GLN HB3 . 34110 1 1318 . 1 1 131 131 GLN HG2 H 1 2.401 0.005 . 1 . . . A 131 GLN HG2 . 34110 1 1319 . 1 1 131 131 GLN C C 13 175.639 0 . 1 . . . A 131 GLN C . 34110 1 1320 . 1 1 131 131 GLN CA C 13 55.629 0.068 . 1 . . . A 131 GLN CA . 34110 1 1321 . 1 1 131 131 GLN CB C 13 29.233 0.04 . 1 . . . A 131 GLN CB . 34110 1 1322 . 1 1 131 131 GLN CG C 13 33.599 0.022 . 1 . . . A 131 GLN CG . 34110 1 1323 . 1 1 131 131 GLN N N 15 120.195 0.055 . 1 . . . A 131 GLN N . 34110 1 1324 . 1 1 132 132 GLN H H 1 8.341 0.004 . 1 . . . A 132 GLN H . 34110 1 1325 . 1 1 132 132 GLN HA H 1 4.339 0.007 . 1 . . . A 132 GLN HA . 34110 1 1326 . 1 1 132 132 GLN HB2 H 1 2.02 0.011 . 2 . . . A 132 GLN HB2 . 34110 1 1327 . 1 1 132 132 GLN HB3 H 1 2.136 0.013 . 2 . . . A 132 GLN HB3 . 34110 1 1328 . 1 1 132 132 GLN HG2 H 1 2.397 0.006 . 1 . . . A 132 GLN HG2 . 34110 1 1329 . 1 1 132 132 GLN C C 13 174.559 0 . 1 . . . A 132 GLN C . 34110 1 1330 . 1 1 132 132 GLN CA C 13 55.467 0.091 . 1 . . . A 132 GLN CA . 34110 1 1331 . 1 1 132 132 GLN CB C 13 29.352 0.068 . 1 . . . A 132 GLN CB . 34110 1 1332 . 1 1 132 132 GLN CG C 13 33.57 0.029 . 1 . . . A 132 GLN CG . 34110 1 1333 . 1 1 132 132 GLN N N 15 121.752 0.041 . 1 . . . A 132 GLN N . 34110 1 1334 . 1 1 133 133 ALA H H 1 8.054 0.004 . 1 . . . A 133 ALA H . 34110 1 1335 . 1 1 133 133 ALA HA H 1 4.147 0.006 . 1 . . . A 133 ALA HA . 34110 1 1336 . 1 1 133 133 ALA HB1 H 1 1.359 0.005 . 1 . . . A 133 ALA HB1 . 34110 1 1337 . 1 1 133 133 ALA HB2 H 1 1.359 0.005 . 1 . . . A 133 ALA HB2 . 34110 1 1338 . 1 1 133 133 ALA HB3 H 1 1.359 0.005 . 1 . . . A 133 ALA HB3 . 34110 1 1339 . 1 1 133 133 ALA CA C 13 53.612 0.072 . 1 . . . A 133 ALA CA . 34110 1 1340 . 1 1 133 133 ALA CB C 13 19.635 0.151 . 1 . . . A 133 ALA CB . 34110 1 1341 . 1 1 133 133 ALA N N 15 131.165 0.089 . 1 . . . A 133 ALA N . 34110 1 stop_ save_