data_25061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25061 _Entry.Title ; Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-01 _Entry.Accession_date 2014-07-01 _Entry.Last_release_date 2014-09-15 _Entry.Original_release_date 2014-09-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Surya VSRK' Pulavarti . . . 25061 2 Lucas Nivon . . . 25061 3 Melissa Maglaqui . . . 25061 4 Haleema Janjua . . . 25061 5 Lei Mao . . . 25061 6 Rong Xiao . . . 25061 7 Gregory Kornhaber . . . 25061 8 David Baker . . . 25061 9 Gaetano Montelione . . . 25061 10 Thomas Szyperski . . . 25061 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Northeast Structural Genomics Consortium' . 25061 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Structural Genomics' . 25061 'Protein NMR' . 25061 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 25061 'Target OR457' . 25061 PSI-Biology . 25061 'Protein Structure Initiative' . 25061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 958 25061 '13C chemical shifts' 583 25061 '15N chemical shifts' 120 25061 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 . . 2014-09-15 2014-07-01 original author . 25061 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25062 OR462 25061 PDB 2MR5 'BMRB Entry Tracking System' 25061 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Surya VSRK' Pulavarti . . . 25061 1 2 Lucas Nivon . . . 25061 1 3 Melissa Maglaqui . . . 25061 1 4 Haleema Janjua . . . 25061 1 5 Lei Mao . . . 25061 1 6 Rong Xiao . . . 25061 1 7 Gregory Kornhaber . . . 25061 1 8 David Baker . . . 25061 1 9 Gaetano Montelione . . . 25061 1 10 Thomas Szyperski . . . 25061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25061 _Assembly.ID 1 _Assembly.Name 'Structure of De novo designed Protein OR457' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OR457 1 $OR457 A . yes native no no . . . 25061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR457 _Entity.Sf_category entity _Entity.Sf_framecode OR457 _Entity.Entry_ID 25061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR457 _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 ; MGTVVIVVSNDERILEELLE VVLKSDPNVKTVRTDDKEKV KEEIEKARKQGRPIVIFIRG AYEEVVRDIVEYAQKEGLRV LVIKVAQDQELLERFYEQLK KDGVDVRVTDNEDEAKKRLK ELLEKVGSLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15904.374 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MR5 . "Solution Nmr Structure Of De Novo Designed Protein, Northeast Structural Genomics Consortium (nesg) Target Or457" . . . . . 100.00 136 100.00 100.00 4.10e-87 . . . . 25061 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25061 1 2 . GLY . 25061 1 3 . THR . 25061 1 4 . VAL . 25061 1 5 . VAL . 25061 1 6 . ILE . 25061 1 7 . VAL . 25061 1 8 . VAL . 25061 1 9 . SER . 25061 1 10 . ASN . 25061 1 11 . ASP . 25061 1 12 . GLU . 25061 1 13 . ARG . 25061 1 14 . ILE . 25061 1 15 . LEU . 25061 1 16 . GLU . 25061 1 17 . GLU . 25061 1 18 . LEU . 25061 1 19 . LEU . 25061 1 20 . GLU . 25061 1 21 . VAL . 25061 1 22 . VAL . 25061 1 23 . LEU . 25061 1 24 . LYS . 25061 1 25 . SER . 25061 1 26 . ASP . 25061 1 27 . PRO . 25061 1 28 . ASN . 25061 1 29 . VAL . 25061 1 30 . LYS . 25061 1 31 . THR . 25061 1 32 . VAL . 25061 1 33 . ARG . 25061 1 34 . THR . 25061 1 35 . ASP . 25061 1 36 . ASP . 25061 1 37 . LYS . 25061 1 38 . GLU . 25061 1 39 . LYS . 25061 1 40 . VAL . 25061 1 41 . LYS . 25061 1 42 . GLU . 25061 1 43 . GLU . 25061 1 44 . ILE . 25061 1 45 . GLU . 25061 1 46 . LYS . 25061 1 47 . ALA . 25061 1 48 . ARG . 25061 1 49 . LYS . 25061 1 50 . GLN . 25061 1 51 . GLY . 25061 1 52 . ARG . 25061 1 53 . PRO . 25061 1 54 . ILE . 25061 1 55 . VAL . 25061 1 56 . ILE . 25061 1 57 . PHE . 25061 1 58 . ILE . 25061 1 59 . ARG . 25061 1 60 . GLY . 25061 1 61 . ALA . 25061 1 62 . TYR . 25061 1 63 . GLU . 25061 1 64 . GLU . 25061 1 65 . VAL . 25061 1 66 . VAL . 25061 1 67 . ARG . 25061 1 68 . ASP . 25061 1 69 . ILE . 25061 1 70 . VAL . 25061 1 71 . GLU . 25061 1 72 . TYR . 25061 1 73 . ALA . 25061 1 74 . GLN . 25061 1 75 . LYS . 25061 1 76 . GLU . 25061 1 77 . GLY . 25061 1 78 . LEU . 25061 1 79 . ARG . 25061 1 80 . VAL . 25061 1 81 . LEU . 25061 1 82 . VAL . 25061 1 83 . ILE . 25061 1 84 . LYS . 25061 1 85 . VAL . 25061 1 86 . ALA . 25061 1 87 . GLN . 25061 1 88 . ASP . 25061 1 89 . GLN . 25061 1 90 . GLU . 25061 1 91 . LEU . 25061 1 92 . LEU . 25061 1 93 . GLU . 25061 1 94 . ARG . 25061 1 95 . PHE . 25061 1 96 . TYR . 25061 1 97 . GLU . 25061 1 98 . GLN . 25061 1 99 . LEU . 25061 1 100 . LYS . 25061 1 101 . LYS . 25061 1 102 . ASP . 25061 1 103 . GLY . 25061 1 104 . VAL . 25061 1 105 . ASP . 25061 1 106 . VAL . 25061 1 107 . ARG . 25061 1 108 . VAL . 25061 1 109 . THR . 25061 1 110 . ASP . 25061 1 111 . ASN . 25061 1 112 . GLU . 25061 1 113 . ASP . 25061 1 114 . GLU . 25061 1 115 . ALA . 25061 1 116 . LYS . 25061 1 117 . LYS . 25061 1 118 . ARG . 25061 1 119 . LEU . 25061 1 120 . LYS . 25061 1 121 . GLU . 25061 1 122 . LEU . 25061 1 123 . LEU . 25061 1 124 . GLU . 25061 1 125 . LYS . 25061 1 126 . VAL . 25061 1 127 . GLY . 25061 1 128 . SER . 25061 1 129 . LEU . 25061 1 130 . GLU . 25061 1 131 . HIS . 25061 1 132 . HIS . 25061 1 133 . HIS . 25061 1 134 . HIS . 25061 1 135 . HIS . 25061 1 136 . HIS . 25061 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 25061 1 . GLY 2 2 25061 1 . THR 3 3 25061 1 . VAL 4 4 25061 1 . VAL 5 5 25061 1 . ILE 6 6 25061 1 . VAL 7 7 25061 1 . VAL 8 8 25061 1 . SER 9 9 25061 1 . ASN 10 10 25061 1 . ASP 11 11 25061 1 . GLU 12 12 25061 1 . ARG 13 13 25061 1 . ILE 14 14 25061 1 . LEU 15 15 25061 1 . GLU 16 16 25061 1 . GLU 17 17 25061 1 . LEU 18 18 25061 1 . LEU 19 19 25061 1 . GLU 20 20 25061 1 . VAL 21 21 25061 1 . VAL 22 22 25061 1 . LEU 23 23 25061 1 . LYS 24 24 25061 1 . SER 25 25 25061 1 . ASP 26 26 25061 1 . PRO 27 27 25061 1 . ASN 28 28 25061 1 . VAL 29 29 25061 1 . LYS 30 30 25061 1 . THR 31 31 25061 1 . VAL 32 32 25061 1 . ARG 33 33 25061 1 . THR 34 34 25061 1 . ASP 35 35 25061 1 . ASP 36 36 25061 1 . LYS 37 37 25061 1 . GLU 38 38 25061 1 . LYS 39 39 25061 1 . VAL 40 40 25061 1 . LYS 41 41 25061 1 . GLU 42 42 25061 1 . GLU 43 43 25061 1 . ILE 44 44 25061 1 . GLU 45 45 25061 1 . LYS 46 46 25061 1 . ALA 47 47 25061 1 . ARG 48 48 25061 1 . LYS 49 49 25061 1 . GLN 50 50 25061 1 . GLY 51 51 25061 1 . ARG 52 52 25061 1 . PRO 53 53 25061 1 . ILE 54 54 25061 1 . VAL 55 55 25061 1 . ILE 56 56 25061 1 . PHE 57 57 25061 1 . ILE 58 58 25061 1 . ARG 59 59 25061 1 . GLY 60 60 25061 1 . ALA 61 61 25061 1 . TYR 62 62 25061 1 . GLU 63 63 25061 1 . GLU 64 64 25061 1 . VAL 65 65 25061 1 . VAL 66 66 25061 1 . ARG 67 67 25061 1 . ASP 68 68 25061 1 . ILE 69 69 25061 1 . VAL 70 70 25061 1 . GLU 71 71 25061 1 . TYR 72 72 25061 1 . ALA 73 73 25061 1 . GLN 74 74 25061 1 . LYS 75 75 25061 1 . GLU 76 76 25061 1 . GLY 77 77 25061 1 . LEU 78 78 25061 1 . ARG 79 79 25061 1 . VAL 80 80 25061 1 . LEU 81 81 25061 1 . VAL 82 82 25061 1 . ILE 83 83 25061 1 . LYS 84 84 25061 1 . VAL 85 85 25061 1 . ALA 86 86 25061 1 . GLN 87 87 25061 1 . ASP 88 88 25061 1 . GLN 89 89 25061 1 . GLU 90 90 25061 1 . LEU 91 91 25061 1 . LEU 92 92 25061 1 . GLU 93 93 25061 1 . ARG 94 94 25061 1 . PHE 95 95 25061 1 . TYR 96 96 25061 1 . GLU 97 97 25061 1 . GLN 98 98 25061 1 . LEU 99 99 25061 1 . LYS 100 100 25061 1 . LYS 101 101 25061 1 . ASP 102 102 25061 1 . GLY 103 103 25061 1 . VAL 104 104 25061 1 . ASP 105 105 25061 1 . VAL 106 106 25061 1 . ARG 107 107 25061 1 . VAL 108 108 25061 1 . THR 109 109 25061 1 . ASP 110 110 25061 1 . ASN 111 111 25061 1 . GLU 112 112 25061 1 . ASP 113 113 25061 1 . GLU 114 114 25061 1 . ALA 115 115 25061 1 . LYS 116 116 25061 1 . LYS 117 117 25061 1 . ARG 118 118 25061 1 . LEU 119 119 25061 1 . LYS 120 120 25061 1 . GLU 121 121 25061 1 . LEU 122 122 25061 1 . LEU 123 123 25061 1 . GLU 124 124 25061 1 . LYS 125 125 25061 1 . VAL 126 126 25061 1 . GLY 127 127 25061 1 . SER 128 128 25061 1 . LEU 129 129 25061 1 . GLU 130 130 25061 1 . HIS 131 131 25061 1 . HIS 132 132 25061 1 . HIS 133 133 25061 1 . HIS 134 134 25061 1 . HIS 135 135 25061 1 . HIS 136 136 25061 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 25061 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $OR457 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25061 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 25061 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $OR457 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET21_NESG . . . . . . 25061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25061 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.85 mM OR457.004, 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 OR457.004 [U-13C,15N] 1 . 1 $OR457 . . 0.85 . . mM . . . . 25061 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25061 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25061 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25061 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM OR457.003, 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 OR457.003 '[5% 13C; U-15N]' 1 . 1 $OR457 . . 0.8 . . mM . . . . 25061 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25061 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25061 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 25061 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 25061 1 pressure 1 . atm 25061 1 temperature 298 . K 25061 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25061 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 25061 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25061 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25061 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 25061 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 25061 _Software.ID 3 _Software.Name AutoStructure _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 25061 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 25061 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 25061 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 25061 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 25061 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25061 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25061 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 25061 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25061 _Software.ID 6 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25061 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25061 6 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 25061 _Software.ID 7 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 25061 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25061 7 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 25061 _Software.ID 8 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Peter Guntert' . . 25061 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25061 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25061 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 25061 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 25061 9 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25061 _Software.ID 10 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 25061 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25061 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'UB High-field NMR facility' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25061 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'UB High-field NMR facility' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 25061 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'UB High-field NMR facility' . . 25061 1 2 spectrometer_2 Varian INOVA . 750 'UB High-field NMR facility' . . 25061 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 25061 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 6 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 7 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25061 1 9 'GFT-4,3d HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25061 1 10 '3D HCCH-COSY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25061 1 11 '3D simultaneous (13C-Aliphatic, aromatic &15-N) NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25061 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25061 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25061 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25061 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25061 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25061 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25061 1 2 '2D 1H-13C HSQC' . . . 25061 1 3 '3D HNCO' . . . 25061 1 6 '3D HN(CA)CO' . . . 25061 1 7 '3D HCCH-COSY' . . . 25061 1 8 '3D HCCH-TOCSY' . . . 25061 1 11 '3D simultaneous (13C-Aliphatic, aromatic &15-N) NOESY' . . . 25061 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $AutoAssign . . 25061 1 6 $VNMRJ . . 25061 1 8 $PROSA . . 25061 1 10 $CARA . . 25061 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 2 2 GLY HA2 H 1 3.568 0.030 . 2 . . . A 2 GLY HA2 . 25061 1 2 . 1 1 2 2 GLY HA3 H 1 3.447 0.030 . 2 . . . A 2 GLY HA3 . 25061 1 3 . 1 1 2 2 GLY CA C 13 45.319 0.450 . 1 . . . A 2 GLY CA . 25061 1 4 . 1 1 3 3 THR HA H 1 4.820 0.030 . 1 . . . A 3 THR HA . 25061 1 5 . 1 1 3 3 THR HB H 1 3.723 0.030 . 1 . . . A 3 THR HB . 25061 1 6 . 1 1 3 3 THR HG21 H 1 0.997 0.030 . 1 . . . A 3 THR HG21 . 25061 1 7 . 1 1 3 3 THR HG22 H 1 0.997 0.030 . 1 . . . A 3 THR HG22 . 25061 1 8 . 1 1 3 3 THR HG23 H 1 0.997 0.030 . 1 . . . A 3 THR HG23 . 25061 1 9 . 1 1 3 3 THR C C 13 172.374 0.450 . 1 . . . A 3 THR C . 25061 1 10 . 1 1 3 3 THR CA C 13 62.760 0.450 . 1 . . . A 3 THR CA . 25061 1 11 . 1 1 3 3 THR CB C 13 71.441 0.450 . 1 . . . A 3 THR CB . 25061 1 12 . 1 1 3 3 THR CG2 C 13 21.672 0.450 . 1 . . . A 3 THR CG2 . 25061 1 13 . 1 1 4 4 VAL H H 1 9.097 0.030 . 1 . . . A 4 VAL H . 25061 1 14 . 1 1 4 4 VAL HA H 1 4.568 0.030 . 1 . . . A 4 VAL HA . 25061 1 15 . 1 1 4 4 VAL HB H 1 1.938 0.030 . 1 . . . A 4 VAL HB . 25061 1 16 . 1 1 4 4 VAL HG11 H 1 0.722 0.030 . 2 . . . A 4 VAL HG11 . 25061 1 17 . 1 1 4 4 VAL HG12 H 1 0.722 0.030 . 2 . . . A 4 VAL HG12 . 25061 1 18 . 1 1 4 4 VAL HG13 H 1 0.722 0.030 . 2 . . . A 4 VAL HG13 . 25061 1 19 . 1 1 4 4 VAL HG21 H 1 0.857 0.030 . 2 . . . A 4 VAL HG21 . 25061 1 20 . 1 1 4 4 VAL HG22 H 1 0.857 0.030 . 2 . . . A 4 VAL HG22 . 25061 1 21 . 1 1 4 4 VAL HG23 H 1 0.857 0.030 . 2 . . . A 4 VAL HG23 . 25061 1 22 . 1 1 4 4 VAL C C 13 173.116 0.450 . 1 . . . A 4 VAL C . 25061 1 23 . 1 1 4 4 VAL CA C 13 60.455 0.450 . 1 . . . A 4 VAL CA . 25061 1 24 . 1 1 4 4 VAL CB C 13 33.800 0.450 . 1 . . . A 4 VAL CB . 25061 1 25 . 1 1 4 4 VAL CG1 C 13 20.934 0.450 . 1 . . . A 4 VAL CG1 . 25061 1 26 . 1 1 4 4 VAL CG2 C 13 22.126 0.450 . 1 . . . A 4 VAL CG2 . 25061 1 27 . 1 1 4 4 VAL N N 15 126.881 0.450 . 1 . . . A 4 VAL N . 25061 1 28 . 1 1 5 5 VAL H H 1 8.811 0.030 . 1 . . . A 5 VAL H . 25061 1 29 . 1 1 5 5 VAL HA H 1 4.887 0.030 . 1 . . . A 5 VAL HA . 25061 1 30 . 1 1 5 5 VAL HB H 1 1.999 0.030 . 1 . . . A 5 VAL HB . 25061 1 31 . 1 1 5 5 VAL HG11 H 1 0.770 0.030 . 2 . . . A 5 VAL HG11 . 25061 1 32 . 1 1 5 5 VAL HG12 H 1 0.770 0.030 . 2 . . . A 5 VAL HG12 . 25061 1 33 . 1 1 5 5 VAL HG13 H 1 0.770 0.030 . 2 . . . A 5 VAL HG13 . 25061 1 34 . 1 1 5 5 VAL HG21 H 1 0.711 0.030 . 2 . . . A 5 VAL HG21 . 25061 1 35 . 1 1 5 5 VAL HG22 H 1 0.711 0.030 . 2 . . . A 5 VAL HG22 . 25061 1 36 . 1 1 5 5 VAL HG23 H 1 0.711 0.030 . 2 . . . A 5 VAL HG23 . 25061 1 37 . 1 1 5 5 VAL C C 13 174.091 0.450 . 1 . . . A 5 VAL C . 25061 1 38 . 1 1 5 5 VAL CA C 13 60.118 0.450 . 1 . . . A 5 VAL CA . 25061 1 39 . 1 1 5 5 VAL CB C 13 32.935 0.450 . 1 . . . A 5 VAL CB . 25061 1 40 . 1 1 5 5 VAL CG1 C 13 21.038 0.450 . 1 . . . A 5 VAL CG1 . 25061 1 41 . 1 1 5 5 VAL CG2 C 13 20.579 0.450 . 1 . . . A 5 VAL CG2 . 25061 1 42 . 1 1 5 5 VAL N N 15 127.172 0.450 . 1 . . . A 5 VAL N . 25061 1 43 . 1 1 6 6 ILE H H 1 9.210 0.030 . 1 . . . A 6 ILE H . 25061 1 44 . 1 1 6 6 ILE HA H 1 4.620 0.030 . 1 . . . A 6 ILE HA . 25061 1 45 . 1 1 6 6 ILE HB H 1 1.749 0.030 . 1 . . . A 6 ILE HB . 25061 1 46 . 1 1 6 6 ILE HG12 H 1 1.538 0.030 . 2 . . . A 6 ILE HG12 . 25061 1 47 . 1 1 6 6 ILE HG13 H 1 0.727 0.030 . 2 . . . A 6 ILE HG13 . 25061 1 48 . 1 1 6 6 ILE HG21 H 1 0.767 0.030 . 1 . . . A 6 ILE HG21 . 25061 1 49 . 1 1 6 6 ILE HG22 H 1 0.767 0.030 . 1 . . . A 6 ILE HG22 . 25061 1 50 . 1 1 6 6 ILE HG23 H 1 0.767 0.030 . 1 . . . A 6 ILE HG23 . 25061 1 51 . 1 1 6 6 ILE HD11 H 1 0.696 0.030 . 1 . . . A 6 ILE HD11 . 25061 1 52 . 1 1 6 6 ILE HD12 H 1 0.696 0.030 . 1 . . . A 6 ILE HD12 . 25061 1 53 . 1 1 6 6 ILE HD13 H 1 0.696 0.030 . 1 . . . A 6 ILE HD13 . 25061 1 54 . 1 1 6 6 ILE C C 13 173.328 0.450 . 1 . . . A 6 ILE C . 25061 1 55 . 1 1 6 6 ILE CA C 13 59.832 0.450 . 1 . . . A 6 ILE CA . 25061 1 56 . 1 1 6 6 ILE CB C 13 39.930 0.450 . 1 . . . A 6 ILE CB . 25061 1 57 . 1 1 6 6 ILE CG1 C 13 27.831 0.450 . 1 . . . A 6 ILE CG1 . 25061 1 58 . 1 1 6 6 ILE CG2 C 13 18.106 0.450 . 1 . . . A 6 ILE CG2 . 25061 1 59 . 1 1 6 6 ILE CD1 C 13 15.045 0.450 . 1 . . . A 6 ILE CD1 . 25061 1 60 . 1 1 6 6 ILE N N 15 127.577 0.450 . 1 . . . A 6 ILE N . 25061 1 61 . 1 1 7 7 VAL H H 1 9.294 0.030 . 1 . . . A 7 VAL H . 25061 1 62 . 1 1 7 7 VAL HA H 1 4.805 0.030 . 1 . . . A 7 VAL HA . 25061 1 63 . 1 1 7 7 VAL HB H 1 1.594 0.030 . 1 . . . A 7 VAL HB . 25061 1 64 . 1 1 7 7 VAL HG11 H 1 0.783 0.030 . 2 . . . A 7 VAL HG11 . 25061 1 65 . 1 1 7 7 VAL HG12 H 1 0.783 0.030 . 2 . . . A 7 VAL HG12 . 25061 1 66 . 1 1 7 7 VAL HG13 H 1 0.783 0.030 . 2 . . . A 7 VAL HG13 . 25061 1 67 . 1 1 7 7 VAL HG21 H 1 0.420 0.030 . 2 . . . A 7 VAL HG21 . 25061 1 68 . 1 1 7 7 VAL HG22 H 1 0.420 0.030 . 2 . . . A 7 VAL HG22 . 25061 1 69 . 1 1 7 7 VAL HG23 H 1 0.420 0.030 . 2 . . . A 7 VAL HG23 . 25061 1 70 . 1 1 7 7 VAL C C 13 173.561 0.450 . 1 . . . A 7 VAL C . 25061 1 71 . 1 1 7 7 VAL CA C 13 60.849 0.450 . 1 . . . A 7 VAL CA . 25061 1 72 . 1 1 7 7 VAL CB C 13 32.360 0.450 . 1 . . . A 7 VAL CB . 25061 1 73 . 1 1 7 7 VAL CG1 C 13 21.614 0.450 . 1 . . . A 7 VAL CG1 . 25061 1 74 . 1 1 7 7 VAL CG2 C 13 21.280 0.450 . 1 . . . A 7 VAL CG2 . 25061 1 75 . 1 1 7 7 VAL N N 15 129.024 0.450 . 1 . . . A 7 VAL N . 25061 1 76 . 1 1 8 8 VAL H H 1 8.898 0.030 . 1 . . . A 8 VAL H . 25061 1 77 . 1 1 8 8 VAL HA H 1 5.396 0.030 . 1 . . . A 8 VAL HA . 25061 1 78 . 1 1 8 8 VAL HB H 1 1.780 0.030 . 1 . . . A 8 VAL HB . 25061 1 79 . 1 1 8 8 VAL HG11 H 1 0.957 0.030 . 2 . . . A 8 VAL HG11 . 25061 1 80 . 1 1 8 8 VAL HG12 H 1 0.957 0.030 . 2 . . . A 8 VAL HG12 . 25061 1 81 . 1 1 8 8 VAL HG13 H 1 0.957 0.030 . 2 . . . A 8 VAL HG13 . 25061 1 82 . 1 1 8 8 VAL HG21 H 1 0.919 0.030 . 2 . . . A 8 VAL HG21 . 25061 1 83 . 1 1 8 8 VAL HG22 H 1 0.919 0.030 . 2 . . . A 8 VAL HG22 . 25061 1 84 . 1 1 8 8 VAL HG23 H 1 0.919 0.030 . 2 . . . A 8 VAL HG23 . 25061 1 85 . 1 1 8 8 VAL C C 13 175.723 0.450 . 1 . . . A 8 VAL C . 25061 1 86 . 1 1 8 8 VAL CA C 13 59.617 0.450 . 1 . . . A 8 VAL CA . 25061 1 87 . 1 1 8 8 VAL CB C 13 34.915 0.450 . 1 . . . A 8 VAL CB . 25061 1 88 . 1 1 8 8 VAL CG1 C 13 21.076 0.450 . 1 . . . A 8 VAL CG1 . 25061 1 89 . 1 1 8 8 VAL CG2 C 13 20.856 0.450 . 1 . . . A 8 VAL CG2 . 25061 1 90 . 1 1 8 8 VAL N N 15 125.318 0.450 . 1 . . . A 8 VAL N . 25061 1 91 . 1 1 9 9 SER H H 1 7.833 0.030 . 1 . . . A 9 SER H . 25061 1 92 . 1 1 9 9 SER HA H 1 4.724 0.030 . 1 . . . A 9 SER HA . 25061 1 93 . 1 1 9 9 SER HB2 H 1 3.885 0.030 . 2 . . . A 9 SER HB2 . 25061 1 94 . 1 1 9 9 SER HB3 H 1 3.341 0.030 . 2 . . . A 9 SER HB3 . 25061 1 95 . 1 1 9 9 SER C C 13 174.552 0.450 . 1 . . . A 9 SER C . 25061 1 96 . 1 1 9 9 SER CA C 13 57.419 0.450 . 1 . . . A 9 SER CA . 25061 1 97 . 1 1 9 9 SER CB C 13 64.998 0.450 . 1 . . . A 9 SER CB . 25061 1 98 . 1 1 9 9 SER N N 15 116.544 0.450 . 1 . . . A 9 SER N . 25061 1 99 . 1 1 10 10 ASN HA H 1 4.912 0.030 . 1 . . . A 10 ASN HA . 25061 1 100 . 1 1 10 10 ASN HB2 H 1 2.981 0.030 . 2 . . . A 10 ASN HB2 . 25061 1 101 . 1 1 10 10 ASN HB3 H 1 2.770 0.030 . 2 . . . A 10 ASN HB3 . 25061 1 102 . 1 1 10 10 ASN HD21 H 1 7.040 0.030 . 2 . . . A 10 ASN HD21 . 25061 1 103 . 1 1 10 10 ASN HD22 H 1 7.662 0.030 . 2 . . . A 10 ASN HD22 . 25061 1 104 . 1 1 10 10 ASN C C 13 176.170 0.450 . 1 . . . A 10 ASN C . 25061 1 105 . 1 1 10 10 ASN CA C 13 54.141 0.450 . 1 . . . A 10 ASN CA . 25061 1 106 . 1 1 10 10 ASN CB C 13 38.626 0.450 . 1 . . . A 10 ASN CB . 25061 1 107 . 1 1 10 10 ASN ND2 N 15 112.460 0.450 . 1 . . . A 10 ASN ND2 . 25061 1 108 . 1 1 11 11 ASP H H 1 8.142 0.030 . 1 . . . A 11 ASP H . 25061 1 109 . 1 1 11 11 ASP HA H 1 4.843 0.030 . 1 . . . A 11 ASP HA . 25061 1 110 . 1 1 11 11 ASP HB2 H 1 2.412 0.030 . 1 . . . A 11 ASP HB2 . 25061 1 111 . 1 1 11 11 ASP HB3 H 1 2.872 0.030 . 1 . . . A 11 ASP HB3 . 25061 1 112 . 1 1 11 11 ASP C C 13 176.148 0.450 . 1 . . . A 11 ASP C . 25061 1 113 . 1 1 11 11 ASP CA C 13 52.620 0.450 . 1 . . . A 11 ASP CA . 25061 1 114 . 1 1 11 11 ASP CB C 13 42.631 0.450 . 1 . . . A 11 ASP CB . 25061 1 115 . 1 1 11 11 ASP N N 15 120.164 0.450 . 1 . . . A 11 ASP N . 25061 1 116 . 1 1 12 12 GLU H H 1 9.152 0.030 . 1 . . . A 12 GLU H . 25061 1 117 . 1 1 12 12 GLU HA H 1 3.853 0.030 . 1 . . . A 12 GLU HA . 25061 1 118 . 1 1 12 12 GLU HB2 H 1 2.079 0.030 . 1 . . . A 12 GLU HB2 . 25061 1 119 . 1 1 12 12 GLU HB3 H 1 2.079 0.030 . 1 . . . A 12 GLU HB3 . 25061 1 120 . 1 1 12 12 GLU HG2 H 1 2.370 0.030 . 1 . . . A 12 GLU HG2 . 25061 1 121 . 1 1 12 12 GLU HG3 H 1 2.370 0.030 . 1 . . . A 12 GLU HG3 . 25061 1 122 . 1 1 12 12 GLU C C 13 177.853 0.450 . 1 . . . A 12 GLU C . 25061 1 123 . 1 1 12 12 GLU CA C 13 59.547 0.450 . 1 . . . A 12 GLU CA . 25061 1 124 . 1 1 12 12 GLU CB C 13 29.819 0.450 . 1 . . . A 12 GLU CB . 25061 1 125 . 1 1 12 12 GLU CG C 13 36.017 0.450 . 1 . . . A 12 GLU CG . 25061 1 126 . 1 1 12 12 GLU N N 15 127.184 0.450 . 1 . . . A 12 GLU N . 25061 1 127 . 1 1 13 13 ARG H H 1 8.389 0.030 . 1 . . . A 13 ARG H . 25061 1 128 . 1 1 13 13 ARG HA H 1 4.103 0.030 . 1 . . . A 13 ARG HA . 25061 1 129 . 1 1 13 13 ARG HB2 H 1 1.969 0.030 . 2 . . . A 13 ARG HB2 . 25061 1 130 . 1 1 13 13 ARG HB3 H 1 1.855 0.030 . 2 . . . A 13 ARG HB3 . 25061 1 131 . 1 1 13 13 ARG HG2 H 1 1.847 0.030 . 2 . . . A 13 ARG HG2 . 25061 1 132 . 1 1 13 13 ARG HG3 H 1 1.612 0.030 . 2 . . . A 13 ARG HG3 . 25061 1 133 . 1 1 13 13 ARG HD2 H 1 3.128 0.030 . 1 . . . A 13 ARG HD2 . 25061 1 134 . 1 1 13 13 ARG HD3 H 1 3.128 0.030 . 1 . . . A 13 ARG HD3 . 25061 1 135 . 1 1 13 13 ARG C C 13 179.151 0.450 . 1 . . . A 13 ARG C . 25061 1 136 . 1 1 13 13 ARG CA C 13 58.943 0.450 . 1 . . . A 13 ARG CA . 25061 1 137 . 1 1 13 13 ARG CB C 13 28.757 0.450 . 1 . . . A 13 ARG CB . 25061 1 138 . 1 1 13 13 ARG CG C 13 26.587 0.450 . 1 . . . A 13 ARG CG . 25061 1 139 . 1 1 13 13 ARG CD C 13 42.568 0.450 . 1 . . . A 13 ARG CD . 25061 1 140 . 1 1 13 13 ARG N N 15 119.026 0.450 . 1 . . . A 13 ARG N . 25061 1 141 . 1 1 14 14 ILE H H 1 7.254 0.030 . 1 . . . A 14 ILE H . 25061 1 142 . 1 1 14 14 ILE HA H 1 3.601 0.030 . 1 . . . A 14 ILE HA . 25061 1 143 . 1 1 14 14 ILE HB H 1 2.156 0.030 . 1 . . . A 14 ILE HB . 25061 1 144 . 1 1 14 14 ILE HG12 H 1 1.554 0.030 . 2 . . . A 14 ILE HG12 . 25061 1 145 . 1 1 14 14 ILE HG13 H 1 1.014 0.030 . 2 . . . A 14 ILE HG13 . 25061 1 146 . 1 1 14 14 ILE HG21 H 1 0.823 0.030 . 1 . . . A 14 ILE HG21 . 25061 1 147 . 1 1 14 14 ILE HG22 H 1 0.823 0.030 . 1 . . . A 14 ILE HG22 . 25061 1 148 . 1 1 14 14 ILE HG23 H 1 0.823 0.030 . 1 . . . A 14 ILE HG23 . 25061 1 149 . 1 1 14 14 ILE HD11 H 1 0.839 0.030 . 1 . . . A 14 ILE HD11 . 25061 1 150 . 1 1 14 14 ILE HD12 H 1 0.839 0.030 . 1 . . . A 14 ILE HD12 . 25061 1 151 . 1 1 14 14 ILE HD13 H 1 0.839 0.030 . 1 . . . A 14 ILE HD13 . 25061 1 152 . 1 1 14 14 ILE C C 13 177.905 0.450 . 1 . . . A 14 ILE C . 25061 1 153 . 1 1 14 14 ILE CA C 13 64.666 0.450 . 1 . . . A 14 ILE CA . 25061 1 154 . 1 1 14 14 ILE CB C 13 36.780 0.450 . 1 . . . A 14 ILE CB . 25061 1 155 . 1 1 14 14 ILE CG1 C 13 29.145 0.450 . 1 . . . A 14 ILE CG1 . 25061 1 156 . 1 1 14 14 ILE CG2 C 13 16.881 0.450 . 1 . . . A 14 ILE CG2 . 25061 1 157 . 1 1 14 14 ILE CD1 C 13 12.661 0.450 . 1 . . . A 14 ILE CD1 . 25061 1 158 . 1 1 14 14 ILE N N 15 119.238 0.450 . 1 . . . A 14 ILE N . 25061 1 159 . 1 1 15 15 LEU H H 1 7.412 0.030 . 1 . . . A 15 LEU H . 25061 1 160 . 1 1 15 15 LEU HA H 1 3.921 0.030 . 1 . . . A 15 LEU HA . 25061 1 161 . 1 1 15 15 LEU HB2 H 1 2.044 0.030 . 1 . . . A 15 LEU HB2 . 25061 1 162 . 1 1 15 15 LEU HB3 H 1 1.327 0.030 . 1 . . . A 15 LEU HB3 . 25061 1 163 . 1 1 15 15 LEU HG H 1 1.795 0.030 . 1 . . . A 15 LEU HG . 25061 1 164 . 1 1 15 15 LEU HD11 H 1 0.930 0.030 . 2 . . . A 15 LEU HD11 . 25061 1 165 . 1 1 15 15 LEU HD12 H 1 0.930 0.030 . 2 . . . A 15 LEU HD12 . 25061 1 166 . 1 1 15 15 LEU HD13 H 1 0.930 0.030 . 2 . . . A 15 LEU HD13 . 25061 1 167 . 1 1 15 15 LEU HD21 H 1 0.855 0.030 . 2 . . . A 15 LEU HD21 . 25061 1 168 . 1 1 15 15 LEU HD22 H 1 0.855 0.030 . 2 . . . A 15 LEU HD22 . 25061 1 169 . 1 1 15 15 LEU HD23 H 1 0.855 0.030 . 2 . . . A 15 LEU HD23 . 25061 1 170 . 1 1 15 15 LEU C C 13 178.062 0.450 . 1 . . . A 15 LEU C . 25061 1 171 . 1 1 15 15 LEU CA C 13 58.411 0.450 . 1 . . . A 15 LEU CA . 25061 1 172 . 1 1 15 15 LEU CB C 13 41.169 0.450 . 1 . . . A 15 LEU CB . 25061 1 173 . 1 1 15 15 LEU CG C 13 26.198 0.450 . 1 . . . A 15 LEU CG . 25061 1 174 . 1 1 15 15 LEU CD1 C 13 23.221 0.450 . 1 . . . A 15 LEU CD1 . 25061 1 175 . 1 1 15 15 LEU CD2 C 13 25.470 0.450 . 1 . . . A 15 LEU CD2 . 25061 1 176 . 1 1 15 15 LEU N N 15 117.008 0.450 . 1 . . . A 15 LEU N . 25061 1 177 . 1 1 16 16 GLU H H 1 7.981 0.030 . 1 . . . A 16 GLU H . 25061 1 178 . 1 1 16 16 GLU HA H 1 3.701 0.030 . 1 . . . A 16 GLU HA . 25061 1 179 . 1 1 16 16 GLU HB2 H 1 2.160 0.030 . 2 . . . A 16 GLU HB2 . 25061 1 180 . 1 1 16 16 GLU HB3 H 1 2.040 0.030 . 2 . . . A 16 GLU HB3 . 25061 1 181 . 1 1 16 16 GLU HG2 H 1 2.406 0.030 . 2 . . . A 16 GLU HG2 . 25061 1 182 . 1 1 16 16 GLU HG3 H 1 2.202 0.030 . 2 . . . A 16 GLU HG3 . 25061 1 183 . 1 1 16 16 GLU C C 13 179.182 0.450 . 1 . . . A 16 GLU C . 25061 1 184 . 1 1 16 16 GLU CA C 13 59.417 0.450 . 1 . . . A 16 GLU CA . 25061 1 185 . 1 1 16 16 GLU CB C 13 29.459 0.450 . 1 . . . A 16 GLU CB . 25061 1 186 . 1 1 16 16 GLU CG C 13 36.287 0.450 . 1 . . . A 16 GLU CG . 25061 1 187 . 1 1 16 16 GLU N N 15 117.637 0.450 . 1 . . . A 16 GLU N . 25061 1 188 . 1 1 17 17 GLU H H 1 8.248 0.030 . 1 . . . A 17 GLU H . 25061 1 189 . 1 1 17 17 GLU HA H 1 4.016 0.030 . 1 . . . A 17 GLU HA . 25061 1 190 . 1 1 17 17 GLU HB2 H 1 2.062 0.030 . 1 . . . A 17 GLU HB2 . 25061 1 191 . 1 1 17 17 GLU HB3 H 1 2.062 0.030 . 1 . . . A 17 GLU HB3 . 25061 1 192 . 1 1 17 17 GLU HG2 H 1 2.474 0.030 . 2 . . . A 17 GLU HG2 . 25061 1 193 . 1 1 17 17 GLU HG3 H 1 2.223 0.030 . 2 . . . A 17 GLU HG3 . 25061 1 194 . 1 1 17 17 GLU C C 13 179.949 0.450 . 1 . . . A 17 GLU C . 25061 1 195 . 1 1 17 17 GLU CA C 13 59.195 0.450 . 1 . . . A 17 GLU CA . 25061 1 196 . 1 1 17 17 GLU CB C 13 29.540 0.450 . 1 . . . A 17 GLU CB . 25061 1 197 . 1 1 17 17 GLU CG C 13 36.412 0.450 . 1 . . . A 17 GLU CG . 25061 1 198 . 1 1 17 17 GLU N N 15 119.759 0.450 . 1 . . . A 17 GLU N . 25061 1 199 . 1 1 18 18 LEU H H 1 8.486 0.030 . 1 . . . A 18 LEU H . 25061 1 200 . 1 1 18 18 LEU HA H 1 4.081 0.030 . 1 . . . A 18 LEU HA . 25061 1 201 . 1 1 18 18 LEU HB2 H 1 2.076 0.030 . 2 . . . A 18 LEU HB2 . 25061 1 202 . 1 1 18 18 LEU HB3 H 1 1.417 0.030 . 2 . . . A 18 LEU HB3 . 25061 1 203 . 1 1 18 18 LEU HG H 1 2.054 0.030 . 1 . . . A 18 LEU HG . 25061 1 204 . 1 1 18 18 LEU HD11 H 1 0.789 0.030 . 2 . . . A 18 LEU HD11 . 25061 1 205 . 1 1 18 18 LEU HD12 H 1 0.789 0.030 . 2 . . . A 18 LEU HD12 . 25061 1 206 . 1 1 18 18 LEU HD13 H 1 0.789 0.030 . 2 . . . A 18 LEU HD13 . 25061 1 207 . 1 1 18 18 LEU HD21 H 1 0.790 0.030 . 2 . . . A 18 LEU HD21 . 25061 1 208 . 1 1 18 18 LEU HD22 H 1 0.790 0.030 . 2 . . . A 18 LEU HD22 . 25061 1 209 . 1 1 18 18 LEU HD23 H 1 0.790 0.030 . 2 . . . A 18 LEU HD23 . 25061 1 210 . 1 1 18 18 LEU C C 13 177.620 0.450 . 1 . . . A 18 LEU C . 25061 1 211 . 1 1 18 18 LEU CA C 13 57.678 0.450 . 1 . . . A 18 LEU CA . 25061 1 212 . 1 1 18 18 LEU CB C 13 41.110 0.450 . 1 . . . A 18 LEU CB . 25061 1 213 . 1 1 18 18 LEU CG C 13 26.859 0.450 . 1 . . . A 18 LEU CG . 25061 1 214 . 1 1 18 18 LEU CD1 C 13 22.908 0.450 . 1 . . . A 18 LEU CD1 . 25061 1 215 . 1 1 18 18 LEU CD2 C 13 26.887 0.450 . 1 . . . A 18 LEU CD2 . 25061 1 216 . 1 1 18 18 LEU N N 15 119.764 0.450 . 1 . . . A 18 LEU N . 25061 1 217 . 1 1 19 19 LEU H H 1 7.870 0.030 . 1 . . . A 19 LEU H . 25061 1 218 . 1 1 19 19 LEU HA H 1 3.662 0.030 . 1 . . . A 19 LEU HA . 25061 1 219 . 1 1 19 19 LEU HB2 H 1 0.415 0.030 . 1 . . . A 19 LEU HB2 . 25061 1 220 . 1 1 19 19 LEU HB3 H 1 1.554 0.030 . 1 . . . A 19 LEU HB3 . 25061 1 221 . 1 1 19 19 LEU HG H 1 1.190 0.030 . 1 . . . A 19 LEU HG . 25061 1 222 . 1 1 19 19 LEU HD11 H 1 0.629 0.030 . 2 . . . A 19 LEU HD11 . 25061 1 223 . 1 1 19 19 LEU HD12 H 1 0.629 0.030 . 2 . . . A 19 LEU HD12 . 25061 1 224 . 1 1 19 19 LEU HD13 H 1 0.629 0.030 . 2 . . . A 19 LEU HD13 . 25061 1 225 . 1 1 19 19 LEU HD21 H 1 0.652 0.030 . 2 . . . A 19 LEU HD21 . 25061 1 226 . 1 1 19 19 LEU HD22 H 1 0.652 0.030 . 2 . . . A 19 LEU HD22 . 25061 1 227 . 1 1 19 19 LEU HD23 H 1 0.652 0.030 . 2 . . . A 19 LEU HD23 . 25061 1 228 . 1 1 19 19 LEU C C 13 178.343 0.450 . 1 . . . A 19 LEU C . 25061 1 229 . 1 1 19 19 LEU CA C 13 59.236 0.450 . 1 . . . A 19 LEU CA . 25061 1 230 . 1 1 19 19 LEU CB C 13 40.651 0.450 . 1 . . . A 19 LEU CB . 25061 1 231 . 1 1 19 19 LEU CG C 13 27.073 0.450 . 1 . . . A 19 LEU CG . 25061 1 232 . 1 1 19 19 LEU CD1 C 13 24.772 0.450 . 1 . . . A 19 LEU CD1 . 25061 1 233 . 1 1 19 19 LEU CD2 C 13 25.271 0.450 . 1 . . . A 19 LEU CD2 . 25061 1 234 . 1 1 19 19 LEU N N 15 123.102 0.450 . 1 . . . A 19 LEU N . 25061 1 235 . 1 1 20 20 GLU H H 1 7.497 0.030 . 1 . . . A 20 GLU H . 25061 1 236 . 1 1 20 20 GLU HA H 1 3.904 0.030 . 1 . . . A 20 GLU HA . 25061 1 237 . 1 1 20 20 GLU HB2 H 1 2.081 0.030 . 1 . . . A 20 GLU HB2 . 25061 1 238 . 1 1 20 20 GLU HB3 H 1 2.081 0.030 . 1 . . . A 20 GLU HB3 . 25061 1 239 . 1 1 20 20 GLU HG2 H 1 2.350 0.030 . 2 . . . A 20 GLU HG2 . 25061 1 240 . 1 1 20 20 GLU HG3 H 1 2.237 0.030 . 2 . . . A 20 GLU HG3 . 25061 1 241 . 1 1 20 20 GLU C C 13 177.707 0.450 . 1 . . . A 20 GLU C . 25061 1 242 . 1 1 20 20 GLU CA C 13 59.392 0.450 . 1 . . . A 20 GLU CA . 25061 1 243 . 1 1 20 20 GLU CB C 13 28.977 0.450 . 1 . . . A 20 GLU CB . 25061 1 244 . 1 1 20 20 GLU CG C 13 35.977 0.450 . 1 . . . A 20 GLU CG . 25061 1 245 . 1 1 20 20 GLU N N 15 117.884 0.450 . 1 . . . A 20 GLU N . 25061 1 246 . 1 1 21 21 VAL H H 1 7.514 0.030 . 1 . . . A 21 VAL H . 25061 1 247 . 1 1 21 21 VAL HA H 1 3.624 0.030 . 1 . . . A 21 VAL HA . 25061 1 248 . 1 1 21 21 VAL HB H 1 2.513 0.030 . 1 . . . A 21 VAL HB . 25061 1 249 . 1 1 21 21 VAL HG11 H 1 0.910 0.030 . 2 . . . A 21 VAL HG11 . 25061 1 250 . 1 1 21 21 VAL HG12 H 1 0.910 0.030 . 2 . . . A 21 VAL HG12 . 25061 1 251 . 1 1 21 21 VAL HG13 H 1 0.910 0.030 . 2 . . . A 21 VAL HG13 . 25061 1 252 . 1 1 21 21 VAL HG21 H 1 1.159 0.030 . 2 . . . A 21 VAL HG21 . 25061 1 253 . 1 1 21 21 VAL HG22 H 1 1.159 0.030 . 2 . . . A 21 VAL HG22 . 25061 1 254 . 1 1 21 21 VAL HG23 H 1 1.159 0.030 . 2 . . . A 21 VAL HG23 . 25061 1 255 . 1 1 21 21 VAL C C 13 178.523 0.450 . 1 . . . A 21 VAL C . 25061 1 256 . 1 1 21 21 VAL CA C 13 66.197 0.450 . 1 . . . A 21 VAL CA . 25061 1 257 . 1 1 21 21 VAL CB C 13 31.147 0.450 . 1 . . . A 21 VAL CB . 25061 1 258 . 1 1 21 21 VAL CG1 C 13 21.159 0.450 . 1 . . . A 21 VAL CG1 . 25061 1 259 . 1 1 21 21 VAL CG2 C 13 23.107 0.450 . 1 . . . A 21 VAL CG2 . 25061 1 260 . 1 1 21 21 VAL N N 15 117.709 0.450 . 1 . . . A 21 VAL N . 25061 1 261 . 1 1 22 22 VAL H H 1 7.863 0.030 . 1 . . . A 22 VAL H . 25061 1 262 . 1 1 22 22 VAL HA H 1 3.446 0.030 . 1 . . . A 22 VAL HA . 25061 1 263 . 1 1 22 22 VAL HB H 1 2.433 0.030 . 1 . . . A 22 VAL HB . 25061 1 264 . 1 1 22 22 VAL HG11 H 1 0.941 0.030 . 2 . . . A 22 VAL HG11 . 25061 1 265 . 1 1 22 22 VAL HG12 H 1 0.941 0.030 . 2 . . . A 22 VAL HG12 . 25061 1 266 . 1 1 22 22 VAL HG13 H 1 0.941 0.030 . 2 . . . A 22 VAL HG13 . 25061 1 267 . 1 1 22 22 VAL HG21 H 1 1.274 0.030 . 2 . . . A 22 VAL HG21 . 25061 1 268 . 1 1 22 22 VAL HG22 H 1 1.274 0.030 . 2 . . . A 22 VAL HG22 . 25061 1 269 . 1 1 22 22 VAL HG23 H 1 1.274 0.030 . 2 . . . A 22 VAL HG23 . 25061 1 270 . 1 1 22 22 VAL C C 13 176.868 0.450 . 1 . . . A 22 VAL C . 25061 1 271 . 1 1 22 22 VAL CA C 13 67.013 0.450 . 1 . . . A 22 VAL CA . 25061 1 272 . 1 1 22 22 VAL CB C 13 31.314 0.450 . 1 . . . A 22 VAL CB . 25061 1 273 . 1 1 22 22 VAL CG1 C 13 22.436 0.450 . 1 . . . A 22 VAL CG1 . 25061 1 274 . 1 1 22 22 VAL CG2 C 13 24.003 0.450 . 1 . . . A 22 VAL CG2 . 25061 1 275 . 1 1 22 22 VAL N N 15 121.233 0.450 . 1 . . . A 22 VAL N . 25061 1 276 . 1 1 23 23 LEU H H 1 8.151 0.030 . 1 . . . A 23 LEU H . 25061 1 277 . 1 1 23 23 LEU HA H 1 4.065 0.030 . 1 . . . A 23 LEU HA . 25061 1 278 . 1 1 23 23 LEU HB2 H 1 1.465 0.030 . 1 . . . A 23 LEU HB2 . 25061 1 279 . 1 1 23 23 LEU HB3 H 1 1.789 0.030 . 1 . . . A 23 LEU HB3 . 25061 1 280 . 1 1 23 23 LEU HG H 1 1.756 0.030 . 1 . . . A 23 LEU HG . 25061 1 281 . 1 1 23 23 LEU HD11 H 1 0.831 0.030 . 2 . . . A 23 LEU HD11 . 25061 1 282 . 1 1 23 23 LEU HD12 H 1 0.831 0.030 . 2 . . . A 23 LEU HD12 . 25061 1 283 . 1 1 23 23 LEU HD13 H 1 0.831 0.030 . 2 . . . A 23 LEU HD13 . 25061 1 284 . 1 1 23 23 LEU HD21 H 1 0.893 0.030 . 2 . . . A 23 LEU HD21 . 25061 1 285 . 1 1 23 23 LEU HD22 H 1 0.893 0.030 . 2 . . . A 23 LEU HD22 . 25061 1 286 . 1 1 23 23 LEU HD23 H 1 0.893 0.030 . 2 . . . A 23 LEU HD23 . 25061 1 287 . 1 1 23 23 LEU C C 13 179.701 0.450 . 1 . . . A 23 LEU C . 25061 1 288 . 1 1 23 23 LEU CA C 13 57.296 0.450 . 1 . . . A 23 LEU CA . 25061 1 289 . 1 1 23 23 LEU CB C 13 41.704 0.450 . 1 . . . A 23 LEU CB . 25061 1 290 . 1 1 23 23 LEU CG C 13 26.711 0.450 . 1 . . . A 23 LEU CG . 25061 1 291 . 1 1 23 23 LEU CD1 C 13 25.305 0.450 . 1 . . . A 23 LEU CD1 . 25061 1 292 . 1 1 23 23 LEU CD2 C 13 23.173 0.450 . 1 . . . A 23 LEU CD2 . 25061 1 293 . 1 1 23 23 LEU N N 15 118.101 0.450 . 1 . . . A 23 LEU N . 25061 1 294 . 1 1 24 24 LYS H H 1 7.823 0.030 . 1 . . . A 24 LYS H . 25061 1 295 . 1 1 24 24 LYS HA H 1 4.137 0.030 . 1 . . . A 24 LYS HA . 25061 1 296 . 1 1 24 24 LYS HB2 H 1 1.867 0.030 . 1 . . . A 24 LYS HB2 . 25061 1 297 . 1 1 24 24 LYS HB3 H 1 1.867 0.030 . 1 . . . A 24 LYS HB3 . 25061 1 298 . 1 1 24 24 LYS HG2 H 1 1.580 0.030 . 2 . . . A 24 LYS HG2 . 25061 1 299 . 1 1 24 24 LYS HG3 H 1 1.468 0.030 . 2 . . . A 24 LYS HG3 . 25061 1 300 . 1 1 24 24 LYS HD2 H 1 1.654 0.030 . 1 . . . A 24 LYS HD2 . 25061 1 301 . 1 1 24 24 LYS HD3 H 1 1.654 0.030 . 1 . . . A 24 LYS HD3 . 25061 1 302 . 1 1 24 24 LYS HE2 H 1 2.972 0.030 . 1 . . . A 24 LYS HE2 . 25061 1 303 . 1 1 24 24 LYS HE3 H 1 2.972 0.030 . 1 . . . A 24 LYS HE3 . 25061 1 304 . 1 1 24 24 LYS C C 13 178.062 0.450 . 1 . . . A 24 LYS C . 25061 1 305 . 1 1 24 24 LYS CA C 13 57.368 0.450 . 1 . . . A 24 LYS CA . 25061 1 306 . 1 1 24 24 LYS CB C 13 32.594 0.450 . 1 . . . A 24 LYS CB . 25061 1 307 . 1 1 24 24 LYS CG C 13 25.235 0.450 . 1 . . . A 24 LYS CG . 25061 1 308 . 1 1 24 24 LYS CD C 13 29.091 0.450 . 1 . . . A 24 LYS CD . 25061 1 309 . 1 1 24 24 LYS CE C 13 41.852 0.450 . 1 . . . A 24 LYS CE . 25061 1 310 . 1 1 24 24 LYS N N 15 114.622 0.450 . 1 . . . A 24 LYS N . 25061 1 311 . 1 1 25 25 SER H H 1 7.798 0.030 . 1 . . . A 25 SER H . 25061 1 312 . 1 1 25 25 SER HA H 1 4.377 0.030 . 1 . . . A 25 SER HA . 25061 1 313 . 1 1 25 25 SER HB2 H 1 3.949 0.030 . 2 . . . A 25 SER HB2 . 25061 1 314 . 1 1 25 25 SER HB3 H 1 3.885 0.030 . 2 . . . A 25 SER HB3 . 25061 1 315 . 1 1 25 25 SER C C 13 174.520 0.450 . 1 . . . A 25 SER C . 25061 1 316 . 1 1 25 25 SER CA C 13 61.049 0.450 . 1 . . . A 25 SER CA . 25061 1 317 . 1 1 25 25 SER CB C 13 63.777 0.450 . 1 . . . A 25 SER CB . 25061 1 318 . 1 1 25 25 SER N N 15 115.474 0.450 . 1 . . . A 25 SER N . 25061 1 319 . 1 1 26 26 ASP H H 1 7.990 0.030 . 1 . . . A 26 ASP H . 25061 1 320 . 1 1 26 26 ASP HA H 1 4.886 0.030 . 1 . . . A 26 ASP HA . 25061 1 321 . 1 1 26 26 ASP HB2 H 1 2.591 0.030 . 1 . . . A 26 ASP HB2 . 25061 1 322 . 1 1 26 26 ASP HB3 H 1 2.810 0.030 . 1 . . . A 26 ASP HB3 . 25061 1 323 . 1 1 26 26 ASP C C 13 173.521 0.450 . 1 . . . A 26 ASP C . 25061 1 324 . 1 1 26 26 ASP CA C 13 52.048 0.450 . 1 . . . A 26 ASP CA . 25061 1 325 . 1 1 26 26 ASP CB C 13 42.202 0.450 . 1 . . . A 26 ASP CB . 25061 1 326 . 1 1 26 26 ASP N N 15 117.424 0.450 . 1 . . . A 26 ASP N . 25061 1 327 . 1 1 27 27 PRO HA H 1 4.645 0.030 . 1 . . . A 27 PRO HA . 25061 1 328 . 1 1 27 27 PRO HB2 H 1 2.435 0.030 . 2 . . . A 27 PRO HB2 . 25061 1 329 . 1 1 27 27 PRO HB3 H 1 1.999 0.030 . 2 . . . A 27 PRO HB3 . 25061 1 330 . 1 1 27 27 PRO HG2 H 1 2.076 0.030 . 2 . . . A 27 PRO HG2 . 25061 1 331 . 1 1 27 27 PRO HG3 H 1 1.930 0.030 . 2 . . . A 27 PRO HG3 . 25061 1 332 . 1 1 27 27 PRO HD2 H 1 3.875 0.030 . 2 . . . A 27 PRO HD2 . 25061 1 333 . 1 1 27 27 PRO HD3 H 1 3.595 0.030 . 2 . . . A 27 PRO HD3 . 25061 1 334 . 1 1 27 27 PRO C C 13 177.016 0.450 . 1 . . . A 27 PRO C . 25061 1 335 . 1 1 27 27 PRO CA C 13 63.601 0.450 . 1 . . . A 27 PRO CA . 25061 1 336 . 1 1 27 27 PRO CB C 13 32.173 0.450 . 1 . . . A 27 PRO CB . 25061 1 337 . 1 1 27 27 PRO CG C 13 26.622 0.450 . 1 . . . A 27 PRO CG . 25061 1 338 . 1 1 27 27 PRO CD C 13 50.485 0.450 . 1 . . . A 27 PRO CD . 25061 1 339 . 1 1 28 28 ASN H H 1 8.608 0.030 . 1 . . . A 28 ASN H . 25061 1 340 . 1 1 28 28 ASN HA H 1 4.692 0.030 . 1 . . . A 28 ASN HA . 25061 1 341 . 1 1 28 28 ASN HB2 H 1 2.815 0.030 . 1 . . . A 28 ASN HB2 . 25061 1 342 . 1 1 28 28 ASN HB3 H 1 2.815 0.030 . 1 . . . A 28 ASN HB3 . 25061 1 343 . 1 1 28 28 ASN HD21 H 1 7.080 0.030 . 2 . . . A 28 ASN HD21 . 25061 1 344 . 1 1 28 28 ASN HD22 H 1 8.050 0.030 . 2 . . . A 28 ASN HD22 . 25061 1 345 . 1 1 28 28 ASN C C 13 175.701 0.450 . 1 . . . A 28 ASN C . 25061 1 346 . 1 1 28 28 ASN CA C 13 53.472 0.450 . 1 . . . A 28 ASN CA . 25061 1 347 . 1 1 28 28 ASN CB C 13 39.213 0.450 . 1 . . . A 28 ASN CB . 25061 1 348 . 1 1 28 28 ASN N N 15 115.839 0.450 . 1 . . . A 28 ASN N . 25061 1 349 . 1 1 28 28 ASN ND2 N 15 115.294 0.450 . 1 . . . A 28 ASN ND2 . 25061 1 350 . 1 1 29 29 VAL H H 1 7.428 0.030 . 1 . . . A 29 VAL H . 25061 1 351 . 1 1 29 29 VAL HA H 1 3.815 0.030 . 1 . . . A 29 VAL HA . 25061 1 352 . 1 1 29 29 VAL HB H 1 2.015 0.030 . 1 . . . A 29 VAL HB . 25061 1 353 . 1 1 29 29 VAL HG11 H 1 0.807 0.030 . 2 . . . A 29 VAL HG11 . 25061 1 354 . 1 1 29 29 VAL HG12 H 1 0.807 0.030 . 2 . . . A 29 VAL HG12 . 25061 1 355 . 1 1 29 29 VAL HG13 H 1 0.807 0.030 . 2 . . . A 29 VAL HG13 . 25061 1 356 . 1 1 29 29 VAL HG21 H 1 0.919 0.030 . 2 . . . A 29 VAL HG21 . 25061 1 357 . 1 1 29 29 VAL HG22 H 1 0.919 0.030 . 2 . . . A 29 VAL HG22 . 25061 1 358 . 1 1 29 29 VAL HG23 H 1 0.919 0.030 . 2 . . . A 29 VAL HG23 . 25061 1 359 . 1 1 29 29 VAL C C 13 175.023 0.450 . 1 . . . A 29 VAL C . 25061 1 360 . 1 1 29 29 VAL CA C 13 62.552 0.450 . 1 . . . A 29 VAL CA . 25061 1 361 . 1 1 29 29 VAL CB C 13 32.147 0.450 . 1 . . . A 29 VAL CB . 25061 1 362 . 1 1 29 29 VAL CG1 C 13 21.918 0.450 . 1 . . . A 29 VAL CG1 . 25061 1 363 . 1 1 29 29 VAL CG2 C 13 22.481 0.450 . 1 . . . A 29 VAL CG2 . 25061 1 364 . 1 1 29 29 VAL N N 15 120.770 0.450 . 1 . . . A 29 VAL N . 25061 1 365 . 1 1 30 30 LYS H H 1 8.457 0.030 . 1 . . . A 30 LYS H . 25061 1 366 . 1 1 30 30 LYS HA H 1 4.479 0.030 . 1 . . . A 30 LYS HA . 25061 1 367 . 1 1 30 30 LYS HB2 H 1 1.928 0.030 . 2 . . . A 30 LYS HB2 . 25061 1 368 . 1 1 30 30 LYS HB3 H 1 1.664 0.030 . 2 . . . A 30 LYS HB3 . 25061 1 369 . 1 1 30 30 LYS HG2 H 1 1.551 0.030 . 2 . . . A 30 LYS HG2 . 25061 1 370 . 1 1 30 30 LYS HG3 H 1 1.350 0.030 . 2 . . . A 30 LYS HG3 . 25061 1 371 . 1 1 30 30 LYS HD2 H 1 1.816 0.030 . 2 . . . A 30 LYS HD2 . 25061 1 372 . 1 1 30 30 LYS HD3 H 1 1.644 0.030 . 2 . . . A 30 LYS HD3 . 25061 1 373 . 1 1 30 30 LYS HE2 H 1 2.926 0.030 . 1 . . . A 30 LYS HE2 . 25061 1 374 . 1 1 30 30 LYS HE3 H 1 2.926 0.030 . 1 . . . A 30 LYS HE3 . 25061 1 375 . 1 1 30 30 LYS C C 13 174.777 0.450 . 1 . . . A 30 LYS C . 25061 1 376 . 1 1 30 30 LYS CA C 13 55.204 0.450 . 1 . . . A 30 LYS CA . 25061 1 377 . 1 1 30 30 LYS CB C 13 31.949 0.450 . 1 . . . A 30 LYS CB . 25061 1 378 . 1 1 30 30 LYS CG C 13 24.039 0.450 . 1 . . . A 30 LYS CG . 25061 1 379 . 1 1 30 30 LYS CD C 13 27.404 0.450 . 1 . . . A 30 LYS CD . 25061 1 380 . 1 1 30 30 LYS CE C 13 41.762 0.450 . 1 . . . A 30 LYS CE . 25061 1 381 . 1 1 30 30 LYS N N 15 127.345 0.450 . 1 . . . A 30 LYS N . 25061 1 382 . 1 1 31 31 THR H H 1 8.164 0.030 . 1 . . . A 31 THR H . 25061 1 383 . 1 1 31 31 THR HA H 1 5.723 0.030 . 1 . . . A 31 THR HA . 25061 1 384 . 1 1 31 31 THR HB H 1 4.099 0.030 . 1 . . . A 31 THR HB . 25061 1 385 . 1 1 31 31 THR HG21 H 1 1.232 0.030 . 1 . . . A 31 THR HG21 . 25061 1 386 . 1 1 31 31 THR HG22 H 1 1.232 0.030 . 1 . . . A 31 THR HG22 . 25061 1 387 . 1 1 31 31 THR HG23 H 1 1.232 0.030 . 1 . . . A 31 THR HG23 . 25061 1 388 . 1 1 31 31 THR C C 13 174.593 0.450 . 1 . . . A 31 THR C . 25061 1 389 . 1 1 31 31 THR CA C 13 59.030 0.450 . 1 . . . A 31 THR CA . 25061 1 390 . 1 1 31 31 THR CB C 13 72.206 0.450 . 1 . . . A 31 THR CB . 25061 1 391 . 1 1 31 31 THR CG2 C 13 22.692 0.450 . 1 . . . A 31 THR CG2 . 25061 1 392 . 1 1 31 31 THR N N 15 113.552 0.450 . 1 . . . A 31 THR N . 25061 1 393 . 1 1 32 32 VAL H H 1 8.615 0.030 . 1 . . . A 32 VAL H . 25061 1 394 . 1 1 32 32 VAL HA H 1 4.405 0.030 . 1 . . . A 32 VAL HA . 25061 1 395 . 1 1 32 32 VAL HB H 1 2.096 0.030 . 1 . . . A 32 VAL HB . 25061 1 396 . 1 1 32 32 VAL HG11 H 1 0.971 0.030 . 2 . . . A 32 VAL HG11 . 25061 1 397 . 1 1 32 32 VAL HG12 H 1 0.971 0.030 . 2 . . . A 32 VAL HG12 . 25061 1 398 . 1 1 32 32 VAL HG13 H 1 0.971 0.030 . 2 . . . A 32 VAL HG13 . 25061 1 399 . 1 1 32 32 VAL HG21 H 1 0.877 0.030 . 2 . . . A 32 VAL HG21 . 25061 1 400 . 1 1 32 32 VAL HG22 H 1 0.877 0.030 . 2 . . . A 32 VAL HG22 . 25061 1 401 . 1 1 32 32 VAL HG23 H 1 0.877 0.030 . 2 . . . A 32 VAL HG23 . 25061 1 402 . 1 1 32 32 VAL C C 13 172.663 0.450 . 1 . . . A 32 VAL C . 25061 1 403 . 1 1 32 32 VAL CA C 13 61.072 0.450 . 1 . . . A 32 VAL CA . 25061 1 404 . 1 1 32 32 VAL CB C 13 35.051 0.450 . 1 . . . A 32 VAL CB . 25061 1 405 . 1 1 32 32 VAL CG1 C 13 21.401 0.450 . 1 . . . A 32 VAL CG1 . 25061 1 406 . 1 1 32 32 VAL CG2 C 13 21.940 0.450 . 1 . . . A 32 VAL CG2 . 25061 1 407 . 1 1 32 32 VAL N N 15 119.206 0.450 . 1 . . . A 32 VAL N . 25061 1 408 . 1 1 33 33 ARG H H 1 8.996 0.030 . 1 . . . A 33 ARG H . 25061 1 409 . 1 1 33 33 ARG HA H 1 5.331 0.030 . 1 . . . A 33 ARG HA . 25061 1 410 . 1 1 33 33 ARG HB2 H 1 1.984 0.030 . 2 . . . A 33 ARG HB2 . 25061 1 411 . 1 1 33 33 ARG HB3 H 1 1.481 0.030 . 2 . . . A 33 ARG HB3 . 25061 1 412 . 1 1 33 33 ARG HG2 H 1 1.723 0.030 . 2 . . . A 33 ARG HG2 . 25061 1 413 . 1 1 33 33 ARG HG3 H 1 1.365 0.030 . 2 . . . A 33 ARG HG3 . 25061 1 414 . 1 1 33 33 ARG HD2 H 1 3.156 0.030 . 2 . . . A 33 ARG HD2 . 25061 1 415 . 1 1 33 33 ARG HD3 H 1 2.925 0.030 . 2 . . . A 33 ARG HD3 . 25061 1 416 . 1 1 33 33 ARG C C 13 173.836 0.450 . 1 . . . A 33 ARG C . 25061 1 417 . 1 1 33 33 ARG CA C 13 54.150 0.450 . 1 . . . A 33 ARG CA . 25061 1 418 . 1 1 33 33 ARG CB C 13 30.028 0.450 . 1 . . . A 33 ARG CB . 25061 1 419 . 1 1 33 33 ARG CG C 13 27.532 0.450 . 1 . . . A 33 ARG CG . 25061 1 420 . 1 1 33 33 ARG CD C 13 42.509 0.450 . 1 . . . A 33 ARG CD . 25061 1 421 . 1 1 33 33 ARG N N 15 130.278 0.450 . 1 . . . A 33 ARG N . 25061 1 422 . 1 1 34 34 THR H H 1 8.126 0.030 . 1 . . . A 34 THR H . 25061 1 423 . 1 1 34 34 THR HA H 1 4.483 0.030 . 1 . . . A 34 THR HA . 25061 1 424 . 1 1 34 34 THR HB H 1 4.292 0.030 . 1 . . . A 34 THR HB . 25061 1 425 . 1 1 34 34 THR HG21 H 1 0.912 0.030 . 1 . . . A 34 THR HG21 . 25061 1 426 . 1 1 34 34 THR HG22 H 1 0.912 0.030 . 1 . . . A 34 THR HG22 . 25061 1 427 . 1 1 34 34 THR HG23 H 1 0.912 0.030 . 1 . . . A 34 THR HG23 . 25061 1 428 . 1 1 34 34 THR C C 13 169.769 0.450 . 1 . . . A 34 THR C . 25061 1 429 . 1 1 34 34 THR CA C 13 60.814 0.450 . 1 . . . A 34 THR CA . 25061 1 430 . 1 1 34 34 THR CB C 13 67.402 0.450 . 1 . . . A 34 THR CB . 25061 1 431 . 1 1 34 34 THR CG2 C 13 20.205 0.450 . 1 . . . A 34 THR CG2 . 25061 1 432 . 1 1 34 34 THR N N 15 121.695 0.450 . 1 . . . A 34 THR N . 25061 1 433 . 1 1 35 35 ASP H H 1 7.983 0.030 . 1 . . . A 35 ASP H . 25061 1 434 . 1 1 35 35 ASP HA H 1 4.824 0.030 . 1 . . . A 35 ASP HA . 25061 1 435 . 1 1 35 35 ASP HB2 H 1 2.334 0.030 . 2 . . . A 35 ASP HB2 . 25061 1 436 . 1 1 35 35 ASP HB3 H 1 2.108 0.030 . 2 . . . A 35 ASP HB3 . 25061 1 437 . 1 1 35 35 ASP C C 13 174.790 0.450 . 1 . . . A 35 ASP C . 25061 1 438 . 1 1 35 35 ASP CA C 13 53.386 0.450 . 1 . . . A 35 ASP CA . 25061 1 439 . 1 1 35 35 ASP CB C 13 41.848 0.450 . 1 . . . A 35 ASP CB . 25061 1 440 . 1 1 35 35 ASP N N 15 122.198 0.450 . 1 . . . A 35 ASP N . 25061 1 441 . 1 1 36 36 ASP H H 1 8.157 0.030 . 1 . . . A 36 ASP H . 25061 1 442 . 1 1 36 36 ASP HA H 1 4.593 0.030 . 1 . . . A 36 ASP HA . 25061 1 443 . 1 1 36 36 ASP HB2 H 1 2.901 0.030 . 2 . . . A 36 ASP HB2 . 25061 1 444 . 1 1 36 36 ASP HB3 H 1 2.490 0.030 . 2 . . . A 36 ASP HB3 . 25061 1 445 . 1 1 36 36 ASP C C 13 176.189 0.450 . 1 . . . A 36 ASP C . 25061 1 446 . 1 1 36 36 ASP CA C 13 53.055 0.450 . 1 . . . A 36 ASP CA . 25061 1 447 . 1 1 36 36 ASP CB C 13 42.159 0.450 . 1 . . . A 36 ASP CB . 25061 1 448 . 1 1 36 36 ASP N N 15 121.091 0.450 . 1 . . . A 36 ASP N . 25061 1 449 . 1 1 37 37 LYS H H 1 8.843 0.030 . 1 . . . A 37 LYS H . 25061 1 450 . 1 1 37 37 LYS HA H 1 3.722 0.030 . 1 . . . A 37 LYS HA . 25061 1 451 . 1 1 37 37 LYS HB2 H 1 1.872 0.030 . 2 . . . A 37 LYS HB2 . 25061 1 452 . 1 1 37 37 LYS HB3 H 1 1.799 0.030 . 2 . . . A 37 LYS HB3 . 25061 1 453 . 1 1 37 37 LYS HG2 H 1 1.492 0.030 . 2 . . . A 37 LYS HG2 . 25061 1 454 . 1 1 37 37 LYS HG3 H 1 1.364 0.030 . 2 . . . A 37 LYS HG3 . 25061 1 455 . 1 1 37 37 LYS HD2 H 1 1.729 0.030 . 1 . . . A 37 LYS HD2 . 25061 1 456 . 1 1 37 37 LYS HD3 H 1 1.729 0.030 . 1 . . . A 37 LYS HD3 . 25061 1 457 . 1 1 37 37 LYS HE2 H 1 2.975 0.030 . 1 . . . A 37 LYS HE2 . 25061 1 458 . 1 1 37 37 LYS HE3 H 1 2.975 0.030 . 1 . . . A 37 LYS HE3 . 25061 1 459 . 1 1 37 37 LYS C C 13 176.870 0.450 . 1 . . . A 37 LYS C . 25061 1 460 . 1 1 37 37 LYS CA C 13 59.404 0.450 . 1 . . . A 37 LYS CA . 25061 1 461 . 1 1 37 37 LYS CB C 13 32.394 0.450 . 1 . . . A 37 LYS CB . 25061 1 462 . 1 1 37 37 LYS CG C 13 24.051 0.450 . 1 . . . A 37 LYS CG . 25061 1 463 . 1 1 37 37 LYS CD C 13 29.468 0.450 . 1 . . . A 37 LYS CD . 25061 1 464 . 1 1 37 37 LYS CE C 13 41.858 0.450 . 1 . . . A 37 LYS CE . 25061 1 465 . 1 1 37 37 LYS N N 15 125.839 0.450 . 1 . . . A 37 LYS N . 25061 1 466 . 1 1 38 38 GLU H H 1 8.182 0.030 . 1 . . . A 38 GLU H . 25061 1 467 . 1 1 38 38 GLU HA H 1 4.007 0.030 . 1 . . . A 38 GLU HA . 25061 1 468 . 1 1 38 38 GLU HB2 H 1 2.069 0.030 . 1 . . . A 38 GLU HB2 . 25061 1 469 . 1 1 38 38 GLU HB3 H 1 2.069 0.030 . 1 . . . A 38 GLU HB3 . 25061 1 470 . 1 1 38 38 GLU HG2 H 1 2.403 0.030 . 2 . . . A 38 GLU HG2 . 25061 1 471 . 1 1 38 38 GLU HG3 H 1 2.202 0.030 . 2 . . . A 38 GLU HG3 . 25061 1 472 . 1 1 38 38 GLU C C 13 179.502 0.450 . 1 . . . A 38 GLU C . 25061 1 473 . 1 1 38 38 GLU CA C 13 58.670 0.450 . 1 . . . A 38 GLU CA . 25061 1 474 . 1 1 38 38 GLU CB C 13 28.474 0.450 . 1 . . . A 38 GLU CB . 25061 1 475 . 1 1 38 38 GLU CG C 13 36.075 0.450 . 1 . . . A 38 GLU CG . 25061 1 476 . 1 1 38 38 GLU N N 15 118.369 0.450 . 1 . . . A 38 GLU N . 25061 1 477 . 1 1 39 39 LYS H H 1 7.524 0.030 . 1 . . . A 39 LYS H . 25061 1 478 . 1 1 39 39 LYS HA H 1 4.165 0.030 . 1 . . . A 39 LYS HA . 25061 1 479 . 1 1 39 39 LYS HB2 H 1 2.078 0.030 . 2 . . . A 39 LYS HB2 . 25061 1 480 . 1 1 39 39 LYS HB3 H 1 1.903 0.030 . 2 . . . A 39 LYS HB3 . 25061 1 481 . 1 1 39 39 LYS HG2 H 1 1.455 0.030 . 1 . . . A 39 LYS HG2 . 25061 1 482 . 1 1 39 39 LYS HG3 H 1 1.455 0.030 . 1 . . . A 39 LYS HG3 . 25061 1 483 . 1 1 39 39 LYS HD2 H 1 1.799 0.030 . 2 . . . A 39 LYS HD2 . 25061 1 484 . 1 1 39 39 LYS HD3 H 1 1.724 0.030 . 2 . . . A 39 LYS HD3 . 25061 1 485 . 1 1 39 39 LYS HE2 H 1 2.985 0.030 . 2 . . . A 39 LYS HE2 . 25061 1 486 . 1 1 39 39 LYS HE3 H 1 2.907 0.030 . 2 . . . A 39 LYS HE3 . 25061 1 487 . 1 1 39 39 LYS C C 13 178.500 0.450 . 1 . . . A 39 LYS C . 25061 1 488 . 1 1 39 39 LYS CA C 13 57.736 0.450 . 1 . . . A 39 LYS CA . 25061 1 489 . 1 1 39 39 LYS CB C 13 31.138 0.450 . 1 . . . A 39 LYS CB . 25061 1 490 . 1 1 39 39 LYS CG C 13 24.752 0.450 . 1 . . . A 39 LYS CG . 25061 1 491 . 1 1 39 39 LYS CD C 13 28.110 0.450 . 1 . . . A 39 LYS CD . 25061 1 492 . 1 1 39 39 LYS CE C 13 41.884 0.450 . 1 . . . A 39 LYS CE . 25061 1 493 . 1 1 39 39 LYS N N 15 121.722 0.450 . 1 . . . A 39 LYS N . 25061 1 494 . 1 1 40 40 VAL H H 1 7.883 0.030 . 1 . . . A 40 VAL H . 25061 1 495 . 1 1 40 40 VAL HA H 1 3.228 0.030 . 1 . . . A 40 VAL HA . 25061 1 496 . 1 1 40 40 VAL HB H 1 2.088 0.030 . 1 . . . A 40 VAL HB . 25061 1 497 . 1 1 40 40 VAL HG11 H 1 0.868 0.030 . 1 . . . A 40 VAL HG11 . 25061 1 498 . 1 1 40 40 VAL HG12 H 1 0.868 0.030 . 1 . . . A 40 VAL HG12 . 25061 1 499 . 1 1 40 40 VAL HG13 H 1 0.868 0.030 . 1 . . . A 40 VAL HG13 . 25061 1 500 . 1 1 40 40 VAL HG21 H 1 0.868 0.030 . 1 . . . A 40 VAL HG21 . 25061 1 501 . 1 1 40 40 VAL HG22 H 1 0.868 0.030 . 1 . . . A 40 VAL HG22 . 25061 1 502 . 1 1 40 40 VAL HG23 H 1 0.868 0.030 . 1 . . . A 40 VAL HG23 . 25061 1 503 . 1 1 40 40 VAL C C 13 177.362 0.450 . 1 . . . A 40 VAL C . 25061 1 504 . 1 1 40 40 VAL CA C 13 67.642 0.450 . 1 . . . A 40 VAL CA . 25061 1 505 . 1 1 40 40 VAL CB C 13 30.903 0.450 . 1 . . . A 40 VAL CB . 25061 1 506 . 1 1 40 40 VAL CG1 C 13 23.521 0.450 . 1 . . . A 40 VAL CG1 . 25061 1 507 . 1 1 40 40 VAL CG2 C 13 23.521 0.450 . 1 . . . A 40 VAL CG2 . 25061 1 508 . 1 1 40 40 VAL N N 15 117.199 0.450 . 1 . . . A 40 VAL N . 25061 1 509 . 1 1 41 41 LYS H H 1 7.567 0.030 . 1 . . . A 41 LYS H . 25061 1 510 . 1 1 41 41 LYS HA H 1 3.442 0.030 . 1 . . . A 41 LYS HA . 25061 1 511 . 1 1 41 41 LYS HB2 H 1 1.530 0.030 . 2 . . . A 41 LYS HB2 . 25061 1 512 . 1 1 41 41 LYS HB3 H 1 1.246 0.030 . 2 . . . A 41 LYS HB3 . 25061 1 513 . 1 1 41 41 LYS HG2 H 1 1.248 0.030 . 2 . . . A 41 LYS HG2 . 25061 1 514 . 1 1 41 41 LYS HG3 H 1 0.372 0.030 . 2 . . . A 41 LYS HG3 . 25061 1 515 . 1 1 41 41 LYS HD2 H 1 1.257 0.030 . 1 . . . A 41 LYS HD2 . 25061 1 516 . 1 1 41 41 LYS HD3 H 1 1.257 0.030 . 1 . . . A 41 LYS HD3 . 25061 1 517 . 1 1 41 41 LYS HE2 H 1 2.444 0.030 . 1 . . . A 41 LYS HE2 . 25061 1 518 . 1 1 41 41 LYS HE3 H 1 2.444 0.030 . 1 . . . A 41 LYS HE3 . 25061 1 519 . 1 1 41 41 LYS C C 13 177.686 0.450 . 1 . . . A 41 LYS C . 25061 1 520 . 1 1 41 41 LYS CA C 13 60.809 0.450 . 1 . . . A 41 LYS CA . 25061 1 521 . 1 1 41 41 LYS CB C 13 31.615 0.450 . 1 . . . A 41 LYS CB . 25061 1 522 . 1 1 41 41 LYS CG C 13 25.312 0.450 . 1 . . . A 41 LYS CG . 25061 1 523 . 1 1 41 41 LYS CD C 13 29.390 0.450 . 1 . . . A 41 LYS CD . 25061 1 524 . 1 1 41 41 LYS CE C 13 41.508 0.450 . 1 . . . A 41 LYS CE . 25061 1 525 . 1 1 41 41 LYS N N 15 117.677 0.450 . 1 . . . A 41 LYS N . 25061 1 526 . 1 1 42 42 GLU H H 1 7.634 0.030 . 1 . . . A 42 GLU H . 25061 1 527 . 1 1 42 42 GLU HA H 1 4.007 0.030 . 1 . . . A 42 GLU HA . 25061 1 528 . 1 1 42 42 GLU HB2 H 1 2.149 0.030 . 1 . . . A 42 GLU HB2 . 25061 1 529 . 1 1 42 42 GLU HB3 H 1 2.149 0.030 . 1 . . . A 42 GLU HB3 . 25061 1 530 . 1 1 42 42 GLU HG2 H 1 2.413 0.030 . 2 . . . A 42 GLU HG2 . 25061 1 531 . 1 1 42 42 GLU HG3 H 1 2.137 0.030 . 2 . . . A 42 GLU HG3 . 25061 1 532 . 1 1 42 42 GLU C C 13 179.725 0.450 . 1 . . . A 42 GLU C . 25061 1 533 . 1 1 42 42 GLU CA C 13 59.069 0.450 . 1 . . . A 42 GLU CA . 25061 1 534 . 1 1 42 42 GLU CB C 13 29.539 0.450 . 1 . . . A 42 GLU CB . 25061 1 535 . 1 1 42 42 GLU CG C 13 36.026 0.450 . 1 . . . A 42 GLU CG . 25061 1 536 . 1 1 42 42 GLU N N 15 118.369 0.450 . 1 . . . A 42 GLU N . 25061 1 537 . 1 1 43 43 GLU H H 1 8.162 0.030 . 1 . . . A 43 GLU H . 25061 1 538 . 1 1 43 43 GLU HA H 1 4.183 0.030 . 1 . . . A 43 GLU HA . 25061 1 539 . 1 1 43 43 GLU HB2 H 1 2.005 0.030 . 2 . . . A 43 GLU HB2 . 25061 1 540 . 1 1 43 43 GLU HB3 H 1 1.919 0.030 . 2 . . . A 43 GLU HB3 . 25061 1 541 . 1 1 43 43 GLU HG2 H 1 2.562 0.030 . 2 . . . A 43 GLU HG2 . 25061 1 542 . 1 1 43 43 GLU HG3 H 1 2.185 0.030 . 2 . . . A 43 GLU HG3 . 25061 1 543 . 1 1 43 43 GLU C C 13 179.757 0.450 . 1 . . . A 43 GLU C . 25061 1 544 . 1 1 43 43 GLU CA C 13 58.366 0.450 . 1 . . . A 43 GLU CA . 25061 1 545 . 1 1 43 43 GLU CB C 13 28.841 0.450 . 1 . . . A 43 GLU CB . 25061 1 546 . 1 1 43 43 GLU CG C 13 35.414 0.450 . 1 . . . A 43 GLU CG . 25061 1 547 . 1 1 43 43 GLU N N 15 117.906 0.450 . 1 . . . A 43 GLU N . 25061 1 548 . 1 1 44 44 ILE H H 1 8.742 0.030 . 1 . . . A 44 ILE H . 25061 1 549 . 1 1 44 44 ILE HA H 1 3.612 0.030 . 1 . . . A 44 ILE HA . 25061 1 550 . 1 1 44 44 ILE HB H 1 2.105 0.030 . 1 . . . A 44 ILE HB . 25061 1 551 . 1 1 44 44 ILE HG12 H 1 2.031 0.030 . 2 . . . A 44 ILE HG12 . 25061 1 552 . 1 1 44 44 ILE HG13 H 1 0.814 0.030 . 2 . . . A 44 ILE HG13 . 25061 1 553 . 1 1 44 44 ILE HG21 H 1 0.878 0.030 . 1 . . . A 44 ILE HG21 . 25061 1 554 . 1 1 44 44 ILE HG22 H 1 0.878 0.030 . 1 . . . A 44 ILE HG22 . 25061 1 555 . 1 1 44 44 ILE HG23 H 1 0.878 0.030 . 1 . . . A 44 ILE HG23 . 25061 1 556 . 1 1 44 44 ILE HD11 H 1 0.808 0.030 . 1 . . . A 44 ILE HD11 . 25061 1 557 . 1 1 44 44 ILE HD12 H 1 0.808 0.030 . 1 . . . A 44 ILE HD12 . 25061 1 558 . 1 1 44 44 ILE HD13 H 1 0.808 0.030 . 1 . . . A 44 ILE HD13 . 25061 1 559 . 1 1 44 44 ILE C C 13 177.101 0.450 . 1 . . . A 44 ILE C . 25061 1 560 . 1 1 44 44 ILE CA C 13 66.355 0.450 . 1 . . . A 44 ILE CA . 25061 1 561 . 1 1 44 44 ILE CB C 13 37.460 0.450 . 1 . . . A 44 ILE CB . 25061 1 562 . 1 1 44 44 ILE CG1 C 13 29.504 0.450 . 1 . . . A 44 ILE CG1 . 25061 1 563 . 1 1 44 44 ILE CG2 C 13 17.308 0.450 . 1 . . . A 44 ILE CG2 . 25061 1 564 . 1 1 44 44 ILE CD1 C 13 15.062 0.450 . 1 . . . A 44 ILE CD1 . 25061 1 565 . 1 1 44 44 ILE N N 15 122.291 0.450 . 1 . . . A 44 ILE N . 25061 1 566 . 1 1 45 45 GLU H H 1 8.171 0.030 . 1 . . . A 45 GLU H . 25061 1 567 . 1 1 45 45 GLU HA H 1 4.058 0.030 . 1 . . . A 45 GLU HA . 25061 1 568 . 1 1 45 45 GLU HB2 H 1 2.082 0.030 . 2 . . . A 45 GLU HB2 . 25061 1 569 . 1 1 45 45 GLU HB3 H 1 2.005 0.030 . 2 . . . A 45 GLU HB3 . 25061 1 570 . 1 1 45 45 GLU HG2 H 1 2.244 0.030 . 1 . . . A 45 GLU HG2 . 25061 1 571 . 1 1 45 45 GLU HG3 H 1 2.244 0.030 . 1 . . . A 45 GLU HG3 . 25061 1 572 . 1 1 45 45 GLU C C 13 178.991 0.450 . 1 . . . A 45 GLU C . 25061 1 573 . 1 1 45 45 GLU CA C 13 59.665 0.450 . 1 . . . A 45 GLU CA . 25061 1 574 . 1 1 45 45 GLU CB C 13 29.161 0.450 . 1 . . . A 45 GLU CB . 25061 1 575 . 1 1 45 45 GLU CG C 13 36.264 0.450 . 1 . . . A 45 GLU CG . 25061 1 576 . 1 1 45 45 GLU N N 15 119.892 0.450 . 1 . . . A 45 GLU N . 25061 1 577 . 1 1 46 46 LYS H H 1 7.785 0.030 . 1 . . . A 46 LYS H . 25061 1 578 . 1 1 46 46 LYS HA H 1 3.982 0.030 . 1 . . . A 46 LYS HA . 25061 1 579 . 1 1 46 46 LYS HB2 H 1 1.939 0.030 . 2 . . . A 46 LYS HB2 . 25061 1 580 . 1 1 46 46 LYS HB3 H 1 1.826 0.030 . 2 . . . A 46 LYS HB3 . 25061 1 581 . 1 1 46 46 LYS HG2 H 1 1.678 0.030 . 1 . . . A 46 LYS HG2 . 25061 1 582 . 1 1 46 46 LYS HG3 H 1 1.678 0.030 . 1 . . . A 46 LYS HG3 . 25061 1 583 . 1 1 46 46 LYS HD2 H 1 1.656 0.030 . 1 . . . A 46 LYS HD2 . 25061 1 584 . 1 1 46 46 LYS HD3 H 1 1.656 0.030 . 1 . . . A 46 LYS HD3 . 25061 1 585 . 1 1 46 46 LYS HE2 H 1 2.946 0.030 . 1 . . . A 46 LYS HE2 . 25061 1 586 . 1 1 46 46 LYS HE3 H 1 2.946 0.030 . 1 . . . A 46 LYS HE3 . 25061 1 587 . 1 1 46 46 LYS C C 13 178.837 0.450 . 1 . . . A 46 LYS C . 25061 1 588 . 1 1 46 46 LYS CA C 13 59.741 0.450 . 1 . . . A 46 LYS CA . 25061 1 589 . 1 1 46 46 LYS CB C 13 32.443 0.450 . 1 . . . A 46 LYS CB . 25061 1 590 . 1 1 46 46 LYS CG C 13 25.563 0.450 . 1 . . . A 46 LYS CG . 25061 1 591 . 1 1 46 46 LYS CD C 13 29.249 0.450 . 1 . . . A 46 LYS CD . 25061 1 592 . 1 1 46 46 LYS CE C 13 41.902 0.450 . 1 . . . A 46 LYS CE . 25061 1 593 . 1 1 46 46 LYS N N 15 118.064 0.450 . 1 . . . A 46 LYS N . 25061 1 594 . 1 1 47 47 ALA H H 1 8.123 0.030 . 1 . . . A 47 ALA H . 25061 1 595 . 1 1 47 47 ALA HA H 1 4.031 0.030 . 1 . . . A 47 ALA HA . 25061 1 596 . 1 1 47 47 ALA HB1 H 1 1.519 0.030 . 1 . . . A 47 ALA HB1 . 25061 1 597 . 1 1 47 47 ALA HB2 H 1 1.519 0.030 . 1 . . . A 47 ALA HB2 . 25061 1 598 . 1 1 47 47 ALA HB3 H 1 1.519 0.030 . 1 . . . A 47 ALA HB3 . 25061 1 599 . 1 1 47 47 ALA C C 13 179.859 0.450 . 1 . . . A 47 ALA C . 25061 1 600 . 1 1 47 47 ALA CA C 13 55.295 0.450 . 1 . . . A 47 ALA CA . 25061 1 601 . 1 1 47 47 ALA CB C 13 17.656 0.450 . 1 . . . A 47 ALA CB . 25061 1 602 . 1 1 47 47 ALA N N 15 121.817 0.450 . 1 . . . A 47 ALA N . 25061 1 603 . 1 1 48 48 ARG H H 1 8.768 0.030 . 1 . . . A 48 ARG H . 25061 1 604 . 1 1 48 48 ARG HA H 1 4.089 0.030 . 1 . . . A 48 ARG HA . 25061 1 605 . 1 1 48 48 ARG HB2 H 1 2.131 0.030 . 2 . . . A 48 ARG HB2 . 25061 1 606 . 1 1 48 48 ARG HB3 H 1 1.938 0.030 . 2 . . . A 48 ARG HB3 . 25061 1 607 . 1 1 48 48 ARG HG2 H 1 1.851 0.030 . 2 . . . A 48 ARG HG2 . 25061 1 608 . 1 1 48 48 ARG HG3 H 1 1.702 0.030 . 2 . . . A 48 ARG HG3 . 25061 1 609 . 1 1 48 48 ARG HD2 H 1 3.151 0.030 . 1 . . . A 48 ARG HD2 . 25061 1 610 . 1 1 48 48 ARG HD3 H 1 3.151 0.030 . 1 . . . A 48 ARG HD3 . 25061 1 611 . 1 1 48 48 ARG C C 13 180.155 0.450 . 1 . . . A 48 ARG C . 25061 1 612 . 1 1 48 48 ARG CA C 13 59.197 0.450 . 1 . . . A 48 ARG CA . 25061 1 613 . 1 1 48 48 ARG CB C 13 29.510 0.450 . 1 . . . A 48 ARG CB . 25061 1 614 . 1 1 48 48 ARG CG C 13 26.311 0.450 . 1 . . . A 48 ARG CG . 25061 1 615 . 1 1 48 48 ARG CD C 13 42.694 0.450 . 1 . . . A 48 ARG CD . 25061 1 616 . 1 1 48 48 ARG N N 15 119.080 0.450 . 1 . . . A 48 ARG N . 25061 1 617 . 1 1 49 49 LYS H H 1 8.037 0.030 . 1 . . . A 49 LYS H . 25061 1 618 . 1 1 49 49 LYS HA H 1 4.039 0.030 . 1 . . . A 49 LYS HA . 25061 1 619 . 1 1 49 49 LYS HB2 H 1 1.966 0.030 . 1 . . . A 49 LYS HB2 . 25061 1 620 . 1 1 49 49 LYS HB3 H 1 1.966 0.030 . 1 . . . A 49 LYS HB3 . 25061 1 621 . 1 1 49 49 LYS HG2 H 1 1.493 0.030 . 1 . . . A 49 LYS HG2 . 25061 1 622 . 1 1 49 49 LYS HG3 H 1 1.493 0.030 . 1 . . . A 49 LYS HG3 . 25061 1 623 . 1 1 49 49 LYS HD2 H 1 1.662 0.030 . 1 . . . A 49 LYS HD2 . 25061 1 624 . 1 1 49 49 LYS HD3 H 1 1.662 0.030 . 1 . . . A 49 LYS HD3 . 25061 1 625 . 1 1 49 49 LYS HE2 H 1 2.940 0.030 . 1 . . . A 49 LYS HE2 . 25061 1 626 . 1 1 49 49 LYS HE3 H 1 2.940 0.030 . 1 . . . A 49 LYS HE3 . 25061 1 627 . 1 1 49 49 LYS C C 13 178.288 0.450 . 1 . . . A 49 LYS C . 25061 1 628 . 1 1 49 49 LYS CA C 13 58.837 0.450 . 1 . . . A 49 LYS CA . 25061 1 629 . 1 1 49 49 LYS CB C 13 32.143 0.450 . 1 . . . A 49 LYS CB . 25061 1 630 . 1 1 49 49 LYS CG C 13 25.339 0.450 . 1 . . . A 49 LYS CG . 25061 1 631 . 1 1 49 49 LYS CD C 13 29.276 0.450 . 1 . . . A 49 LYS CD . 25061 1 632 . 1 1 49 49 LYS CE C 13 41.754 0.450 . 1 . . . A 49 LYS CE . 25061 1 633 . 1 1 49 49 LYS N N 15 119.951 0.450 . 1 . . . A 49 LYS N . 25061 1 634 . 1 1 50 50 GLN H H 1 7.740 0.030 . 1 . . . A 50 GLN H . 25061 1 635 . 1 1 50 50 GLN HA H 1 4.342 0.030 . 1 . . . A 50 GLN HA . 25061 1 636 . 1 1 50 50 GLN HB2 H 1 2.205 0.030 . 2 . . . A 50 GLN HB2 . 25061 1 637 . 1 1 50 50 GLN HB3 H 1 2.062 0.030 . 2 . . . A 50 GLN HB3 . 25061 1 638 . 1 1 50 50 GLN HG2 H 1 2.608 0.030 . 2 . . . A 50 GLN HG2 . 25061 1 639 . 1 1 50 50 GLN HG3 H 1 2.441 0.030 . 2 . . . A 50 GLN HG3 . 25061 1 640 . 1 1 50 50 GLN HE21 H 1 6.861 0.030 . 2 . . . A 50 GLN HE21 . 25061 1 641 . 1 1 50 50 GLN HE22 H 1 7.451 0.030 . 2 . . . A 50 GLN HE22 . 25061 1 642 . 1 1 50 50 GLN C C 13 176.180 0.450 . 1 . . . A 50 GLN C . 25061 1 643 . 1 1 50 50 GLN CA C 13 55.741 0.450 . 1 . . . A 50 GLN CA . 25061 1 644 . 1 1 50 50 GLN CB C 13 29.565 0.450 . 1 . . . A 50 GLN CB . 25061 1 645 . 1 1 50 50 GLN CG C 13 34.086 0.450 . 1 . . . A 50 GLN CG . 25061 1 646 . 1 1 50 50 GLN N N 15 115.284 0.450 . 1 . . . A 50 GLN N . 25061 1 647 . 1 1 50 50 GLN NE2 N 15 110.678 0.450 . 1 . . . A 50 GLN NE2 . 25061 1 648 . 1 1 51 51 GLY H H 1 8.027 0.030 . 1 . . . A 51 GLY H . 25061 1 649 . 1 1 51 51 GLY HA2 H 1 3.973 0.030 . 1 . . . A 51 GLY HA2 . 25061 1 650 . 1 1 51 51 GLY HA3 H 1 3.973 0.030 . 1 . . . A 51 GLY HA3 . 25061 1 651 . 1 1 51 51 GLY C C 13 174.552 0.450 . 1 . . . A 51 GLY C . 25061 1 652 . 1 1 51 51 GLY CA C 13 46.363 0.450 . 1 . . . A 51 GLY CA . 25061 1 653 . 1 1 51 51 GLY N N 15 109.725 0.450 . 1 . . . A 51 GLY N . 25061 1 654 . 1 1 52 52 ARG H H 1 7.969 0.030 . 1 . . . A 52 ARG H . 25061 1 655 . 1 1 52 52 ARG HA H 1 4.897 0.030 . 1 . . . A 52 ARG HA . 25061 1 656 . 1 1 52 52 ARG HB2 H 1 2.061 0.030 . 2 . . . A 52 ARG HB2 . 25061 1 657 . 1 1 52 52 ARG HB3 H 1 1.509 0.030 . 2 . . . A 52 ARG HB3 . 25061 1 658 . 1 1 52 52 ARG HG2 H 1 1.683 0.030 . 1 . . . A 52 ARG HG2 . 25061 1 659 . 1 1 52 52 ARG HG3 H 1 1.683 0.030 . 1 . . . A 52 ARG HG3 . 25061 1 660 . 1 1 52 52 ARG HD2 H 1 3.199 0.030 . 2 . . . A 52 ARG HD2 . 25061 1 661 . 1 1 52 52 ARG HD3 H 1 3.126 0.030 . 2 . . . A 52 ARG HD3 . 25061 1 662 . 1 1 52 52 ARG C C 13 173.123 0.450 . 1 . . . A 52 ARG C . 25061 1 663 . 1 1 52 52 ARG CA C 13 52.247 0.450 . 1 . . . A 52 ARG CA . 25061 1 664 . 1 1 52 52 ARG CB C 13 32.366 0.450 . 1 . . . A 52 ARG CB . 25061 1 665 . 1 1 52 52 ARG CG C 13 25.895 0.450 . 1 . . . A 52 ARG CG . 25061 1 666 . 1 1 52 52 ARG CD C 13 43.573 0.450 . 1 . . . A 52 ARG CD . 25061 1 667 . 1 1 52 52 ARG N N 15 119.064 0.450 . 1 . . . A 52 ARG N . 25061 1 668 . 1 1 53 53 PRO HA H 1 4.855 0.030 . 1 . . . A 53 PRO HA . 25061 1 669 . 1 1 53 53 PRO HB2 H 1 1.650 0.030 . 1 . . . A 53 PRO HB2 . 25061 1 670 . 1 1 53 53 PRO HB3 H 1 2.231 0.030 . 1 . . . A 53 PRO HB3 . 25061 1 671 . 1 1 53 53 PRO HG2 H 1 2.033 0.030 . 2 . . . A 53 PRO HG2 . 25061 1 672 . 1 1 53 53 PRO HG3 H 1 1.976 0.030 . 2 . . . A 53 PRO HG3 . 25061 1 673 . 1 1 53 53 PRO HD2 H 1 3.901 0.030 . 2 . . . A 53 PRO HD2 . 25061 1 674 . 1 1 53 53 PRO HD3 H 1 3.558 0.030 . 2 . . . A 53 PRO HD3 . 25061 1 675 . 1 1 53 53 PRO C C 13 174.069 0.450 . 1 . . . A 53 PRO C . 25061 1 676 . 1 1 53 53 PRO CA C 13 61.818 0.450 . 1 . . . A 53 PRO CA . 25061 1 677 . 1 1 53 53 PRO CB C 13 32.060 0.450 . 1 . . . A 53 PRO CB . 25061 1 678 . 1 1 53 53 PRO CG C 13 27.230 0.450 . 1 . . . A 53 PRO CG . 25061 1 679 . 1 1 53 53 PRO CD C 13 50.316 0.450 . 1 . . . A 53 PRO CD . 25061 1 680 . 1 1 54 54 ILE H H 1 7.920 0.030 . 1 . . . A 54 ILE H . 25061 1 681 . 1 1 54 54 ILE HA H 1 5.238 0.030 . 1 . . . A 54 ILE HA . 25061 1 682 . 1 1 54 54 ILE HB H 1 1.464 0.030 . 1 . . . A 54 ILE HB . 25061 1 683 . 1 1 54 54 ILE HG12 H 1 1.356 0.030 . 2 . . . A 54 ILE HG12 . 25061 1 684 . 1 1 54 54 ILE HG13 H 1 0.758 0.030 . 2 . . . A 54 ILE HG13 . 25061 1 685 . 1 1 54 54 ILE HG21 H 1 0.984 0.030 . 1 . . . A 54 ILE HG21 . 25061 1 686 . 1 1 54 54 ILE HG22 H 1 0.984 0.030 . 1 . . . A 54 ILE HG22 . 25061 1 687 . 1 1 54 54 ILE HG23 H 1 0.984 0.030 . 1 . . . A 54 ILE HG23 . 25061 1 688 . 1 1 54 54 ILE HD11 H 1 0.691 0.030 . 1 . . . A 54 ILE HD11 . 25061 1 689 . 1 1 54 54 ILE HD12 H 1 0.691 0.030 . 1 . . . A 54 ILE HD12 . 25061 1 690 . 1 1 54 54 ILE HD13 H 1 0.691 0.030 . 1 . . . A 54 ILE HD13 . 25061 1 691 . 1 1 54 54 ILE C C 13 171.709 0.450 . 1 . . . A 54 ILE C . 25061 1 692 . 1 1 54 54 ILE CA C 13 57.774 0.450 . 1 . . . A 54 ILE CA . 25061 1 693 . 1 1 54 54 ILE CB C 13 41.558 0.450 . 1 . . . A 54 ILE CB . 25061 1 694 . 1 1 54 54 ILE CG1 C 13 28.434 0.450 . 1 . . . A 54 ILE CG1 . 25061 1 695 . 1 1 54 54 ILE CG2 C 13 16.453 0.450 . 1 . . . A 54 ILE CG2 . 25061 1 696 . 1 1 54 54 ILE CD1 C 13 15.030 0.450 . 1 . . . A 54 ILE CD1 . 25061 1 697 . 1 1 54 54 ILE N N 15 116.301 0.450 . 1 . . . A 54 ILE N . 25061 1 698 . 1 1 55 55 VAL H H 1 8.652 0.030 . 1 . . . A 55 VAL H . 25061 1 699 . 1 1 55 55 VAL HA H 1 4.924 0.030 . 1 . . . A 55 VAL HA . 25061 1 700 . 1 1 55 55 VAL HB H 1 1.863 0.030 . 1 . . . A 55 VAL HB . 25061 1 701 . 1 1 55 55 VAL HG11 H 1 0.278 0.030 . 2 . . . A 55 VAL HG11 . 25061 1 702 . 1 1 55 55 VAL HG12 H 1 0.278 0.030 . 2 . . . A 55 VAL HG12 . 25061 1 703 . 1 1 55 55 VAL HG13 H 1 0.278 0.030 . 2 . . . A 55 VAL HG13 . 25061 1 704 . 1 1 55 55 VAL HG21 H 1 0.709 0.030 . 2 . . . A 55 VAL HG21 . 25061 1 705 . 1 1 55 55 VAL HG22 H 1 0.709 0.030 . 2 . . . A 55 VAL HG22 . 25061 1 706 . 1 1 55 55 VAL HG23 H 1 0.709 0.030 . 2 . . . A 55 VAL HG23 . 25061 1 707 . 1 1 55 55 VAL C C 13 173.624 0.450 . 1 . . . A 55 VAL C . 25061 1 708 . 1 1 55 55 VAL CA C 13 59.795 0.450 . 1 . . . A 55 VAL CA . 25061 1 709 . 1 1 55 55 VAL CB C 13 32.828 0.450 . 1 . . . A 55 VAL CB . 25061 1 710 . 1 1 55 55 VAL CG1 C 13 23.304 0.450 . 1 . . . A 55 VAL CG1 . 25061 1 711 . 1 1 55 55 VAL CG2 C 13 20.619 0.450 . 1 . . . A 55 VAL CG2 . 25061 1 712 . 1 1 55 55 VAL N N 15 126.302 0.450 . 1 . . . A 55 VAL N . 25061 1 713 . 1 1 56 56 ILE H H 1 9.124 0.030 . 1 . . . A 56 ILE H . 25061 1 714 . 1 1 56 56 ILE HA H 1 4.664 0.030 . 1 . . . A 56 ILE HA . 25061 1 715 . 1 1 56 56 ILE HB H 1 1.685 0.030 . 1 . . . A 56 ILE HB . 25061 1 716 . 1 1 56 56 ILE HG12 H 1 1.360 0.030 . 2 . . . A 56 ILE HG12 . 25061 1 717 . 1 1 56 56 ILE HG13 H 1 0.991 0.030 . 2 . . . A 56 ILE HG13 . 25061 1 718 . 1 1 56 56 ILE HG21 H 1 0.879 0.030 . 1 . . . A 56 ILE HG21 . 25061 1 719 . 1 1 56 56 ILE HG22 H 1 0.879 0.030 . 1 . . . A 56 ILE HG22 . 25061 1 720 . 1 1 56 56 ILE HG23 H 1 0.879 0.030 . 1 . . . A 56 ILE HG23 . 25061 1 721 . 1 1 56 56 ILE HD11 H 1 0.686 0.030 . 1 . . . A 56 ILE HD11 . 25061 1 722 . 1 1 56 56 ILE HD12 H 1 0.686 0.030 . 1 . . . A 56 ILE HD12 . 25061 1 723 . 1 1 56 56 ILE HD13 H 1 0.686 0.030 . 1 . . . A 56 ILE HD13 . 25061 1 724 . 1 1 56 56 ILE C C 13 173.479 0.450 . 1 . . . A 56 ILE C . 25061 1 725 . 1 1 56 56 ILE CA C 13 59.007 0.450 . 1 . . . A 56 ILE CA . 25061 1 726 . 1 1 56 56 ILE CB C 13 40.285 0.450 . 1 . . . A 56 ILE CB . 25061 1 727 . 1 1 56 56 ILE CG1 C 13 27.658 0.450 . 1 . . . A 56 ILE CG1 . 25061 1 728 . 1 1 56 56 ILE CG2 C 13 18.456 0.450 . 1 . . . A 56 ILE CG2 . 25061 1 729 . 1 1 56 56 ILE CD1 C 13 15.023 0.450 . 1 . . . A 56 ILE CD1 . 25061 1 730 . 1 1 56 56 ILE N N 15 127.503 0.450 . 1 . . . A 56 ILE N . 25061 1 731 . 1 1 57 57 PHE H H 1 8.971 0.030 . 1 . . . A 57 PHE H . 25061 1 732 . 1 1 57 57 PHE HA H 1 5.216 0.030 . 1 . . . A 57 PHE HA . 25061 1 733 . 1 1 57 57 PHE HB2 H 1 2.996 0.030 . 1 . . . A 57 PHE HB2 . 25061 1 734 . 1 1 57 57 PHE HB3 H 1 2.834 0.030 . 1 . . . A 57 PHE HB3 . 25061 1 735 . 1 1 57 57 PHE HD1 H 1 7.159 0.030 . 1 . . . A 57 PHE HD1 . 25061 1 736 . 1 1 57 57 PHE HD2 H 1 7.159 0.030 . 1 . . . A 57 PHE HD2 . 25061 1 737 . 1 1 57 57 PHE HE1 H 1 6.999 0.030 . 1 . . . A 57 PHE HE1 . 25061 1 738 . 1 1 57 57 PHE HE2 H 1 6.999 0.030 . 1 . . . A 57 PHE HE2 . 25061 1 739 . 1 1 57 57 PHE HZ H 1 6.931 0.030 . 1 . . . A 57 PHE HZ . 25061 1 740 . 1 1 57 57 PHE C C 13 174.536 0.450 . 1 . . . A 57 PHE C . 25061 1 741 . 1 1 57 57 PHE CA C 13 56.961 0.450 . 1 . . . A 57 PHE CA . 25061 1 742 . 1 1 57 57 PHE CB C 13 40.429 0.450 . 1 . . . A 57 PHE CB . 25061 1 743 . 1 1 57 57 PHE CD1 C 13 131.865 0.450 . 1 . . . A 57 PHE CD1 . 25061 1 744 . 1 1 57 57 PHE CD2 C 13 131.865 0.450 . 1 . . . A 57 PHE CD2 . 25061 1 745 . 1 1 57 57 PHE CE1 C 13 130.095 0.450 . 1 . . . A 57 PHE CE1 . 25061 1 746 . 1 1 57 57 PHE CE2 C 13 130.095 0.450 . 1 . . . A 57 PHE CE2 . 25061 1 747 . 1 1 57 57 PHE CZ C 13 128.542 0.450 . 1 . . . A 57 PHE CZ . 25061 1 748 . 1 1 57 57 PHE N N 15 125.302 0.450 . 1 . . . A 57 PHE N . 25061 1 749 . 1 1 58 58 ILE H H 1 9.248 0.030 . 1 . . . A 58 ILE H . 25061 1 750 . 1 1 58 58 ILE HA H 1 4.515 0.030 . 1 . . . A 58 ILE HA . 25061 1 751 . 1 1 58 58 ILE HB H 1 1.653 0.030 . 1 . . . A 58 ILE HB . 25061 1 752 . 1 1 58 58 ILE HG12 H 1 1.314 0.030 . 1 . . . A 58 ILE HG12 . 25061 1 753 . 1 1 58 58 ILE HG13 H 1 1.314 0.030 . 1 . . . A 58 ILE HG13 . 25061 1 754 . 1 1 58 58 ILE HG21 H 1 0.893 0.030 . 1 . . . A 58 ILE HG21 . 25061 1 755 . 1 1 58 58 ILE HG22 H 1 0.893 0.030 . 1 . . . A 58 ILE HG22 . 25061 1 756 . 1 1 58 58 ILE HG23 H 1 0.893 0.030 . 1 . . . A 58 ILE HG23 . 25061 1 757 . 1 1 58 58 ILE HD11 H 1 0.711 0.030 . 1 . . . A 58 ILE HD11 . 25061 1 758 . 1 1 58 58 ILE HD12 H 1 0.711 0.030 . 1 . . . A 58 ILE HD12 . 25061 1 759 . 1 1 58 58 ILE HD13 H 1 0.711 0.030 . 1 . . . A 58 ILE HD13 . 25061 1 760 . 1 1 58 58 ILE C C 13 173.391 0.450 . 1 . . . A 58 ILE C . 25061 1 761 . 1 1 58 58 ILE CA C 13 59.090 0.450 . 1 . . . A 58 ILE CA . 25061 1 762 . 1 1 58 58 ILE CB C 13 41.742 0.450 . 1 . . . A 58 ILE CB . 25061 1 763 . 1 1 58 58 ILE CG1 C 13 27.441 0.450 . 1 . . . A 58 ILE CG1 . 25061 1 764 . 1 1 58 58 ILE CG2 C 13 16.371 0.450 . 1 . . . A 58 ILE CG2 . 25061 1 765 . 1 1 58 58 ILE CD1 C 13 12.923 0.450 . 1 . . . A 58 ILE CD1 . 25061 1 766 . 1 1 58 58 ILE N N 15 126.472 0.450 . 1 . . . A 58 ILE N . 25061 1 767 . 1 1 59 59 ARG H H 1 8.587 0.030 . 1 . . . A 59 ARG H . 25061 1 768 . 1 1 59 59 ARG HA H 1 4.929 0.030 . 1 . . . A 59 ARG HA . 25061 1 769 . 1 1 59 59 ARG HB2 H 1 2.070 0.030 . 2 . . . A 59 ARG HB2 . 25061 1 770 . 1 1 59 59 ARG HB3 H 1 1.974 0.030 . 2 . . . A 59 ARG HB3 . 25061 1 771 . 1 1 59 59 ARG HG2 H 1 1.935 0.030 . 2 . . . A 59 ARG HG2 . 25061 1 772 . 1 1 59 59 ARG HG3 H 1 1.752 0.030 . 2 . . . A 59 ARG HG3 . 25061 1 773 . 1 1 59 59 ARG HD2 H 1 2.921 0.030 . 1 . . . A 59 ARG HD2 . 25061 1 774 . 1 1 59 59 ARG HD3 H 1 2.921 0.030 . 1 . . . A 59 ARG HD3 . 25061 1 775 . 1 1 59 59 ARG C C 13 178.521 0.450 . 1 . . . A 59 ARG C . 25061 1 776 . 1 1 59 59 ARG CA C 13 55.742 0.450 . 1 . . . A 59 ARG CA . 25061 1 777 . 1 1 59 59 ARG CB C 13 30.918 0.450 . 1 . . . A 59 ARG CB . 25061 1 778 . 1 1 59 59 ARG CG C 13 28.093 0.450 . 1 . . . A 59 ARG CG . 25061 1 779 . 1 1 59 59 ARG CD C 13 41.363 0.450 . 1 . . . A 59 ARG CD . 25061 1 780 . 1 1 59 59 ARG N N 15 124.681 0.450 . 1 . . . A 59 ARG N . 25061 1 781 . 1 1 60 60 GLY H H 1 7.732 0.030 . 1 . . . A 60 GLY H . 25061 1 782 . 1 1 60 60 GLY HA2 H 1 3.907 0.030 . 2 . . . A 60 GLY HA2 . 25061 1 783 . 1 1 60 60 GLY HA3 H 1 3.616 0.030 . 2 . . . A 60 GLY HA3 . 25061 1 784 . 1 1 60 60 GLY C C 13 174.775 0.450 . 1 . . . A 60 GLY C . 25061 1 785 . 1 1 60 60 GLY CA C 13 46.967 0.450 . 1 . . . A 60 GLY CA . 25061 1 786 . 1 1 60 60 GLY N N 15 108.848 0.450 . 1 . . . A 60 GLY N . 25061 1 787 . 1 1 61 61 ALA H H 1 7.852 0.030 . 1 . . . A 61 ALA H . 25061 1 788 . 1 1 61 61 ALA HA H 1 4.144 0.030 . 1 . . . A 61 ALA HA . 25061 1 789 . 1 1 61 61 ALA HB1 H 1 1.150 0.030 . 1 . . . A 61 ALA HB1 . 25061 1 790 . 1 1 61 61 ALA HB2 H 1 1.150 0.030 . 1 . . . A 61 ALA HB2 . 25061 1 791 . 1 1 61 61 ALA HB3 H 1 1.150 0.030 . 1 . . . A 61 ALA HB3 . 25061 1 792 . 1 1 61 61 ALA C C 13 177.769 0.450 . 1 . . . A 61 ALA C . 25061 1 793 . 1 1 61 61 ALA CA C 13 53.449 0.450 . 1 . . . A 61 ALA CA . 25061 1 794 . 1 1 61 61 ALA CB C 13 18.371 0.450 . 1 . . . A 61 ALA CB . 25061 1 795 . 1 1 61 61 ALA N N 15 120.877 0.450 . 1 . . . A 61 ALA N . 25061 1 796 . 1 1 62 62 TYR HA H 1 4.800 0.030 . 1 . . . A 62 TYR HA . 25061 1 797 . 1 1 62 62 TYR HB2 H 1 2.851 0.030 . 1 . . . A 62 TYR HB2 . 25061 1 798 . 1 1 62 62 TYR HB3 H 1 3.425 0.030 . 1 . . . A 62 TYR HB3 . 25061 1 799 . 1 1 62 62 TYR HD1 H 1 7.137 0.030 . 1 . . . A 62 TYR HD1 . 25061 1 800 . 1 1 62 62 TYR HD2 H 1 7.137 0.030 . 1 . . . A 62 TYR HD2 . 25061 1 801 . 1 1 62 62 TYR HE1 H 1 6.803 0.030 . 1 . . . A 62 TYR HE1 . 25061 1 802 . 1 1 62 62 TYR HE2 H 1 6.803 0.030 . 1 . . . A 62 TYR HE2 . 25061 1 803 . 1 1 62 62 TYR CA C 13 63.039 0.450 . 1 . . . A 62 TYR CA . 25061 1 804 . 1 1 62 62 TYR CB C 13 37.440 0.450 . 1 . . . A 62 TYR CB . 25061 1 805 . 1 1 62 62 TYR CD1 C 13 133.107 0.450 . 1 . . . A 62 TYR CD1 . 25061 1 806 . 1 1 62 62 TYR CD2 C 13 133.107 0.450 . 1 . . . A 62 TYR CD2 . 25061 1 807 . 1 1 62 62 TYR CE1 C 13 117.948 0.450 . 1 . . . A 62 TYR CE1 . 25061 1 808 . 1 1 62 62 TYR CE2 C 13 117.948 0.450 . 1 . . . A 62 TYR CE2 . 25061 1 809 . 1 1 63 63 GLU HA H 1 3.685 0.030 . 1 . . . A 63 GLU HA . 25061 1 810 . 1 1 63 63 GLU HB2 H 1 1.831 0.030 . 1 . . . A 63 GLU HB2 . 25061 1 811 . 1 1 63 63 GLU HB3 H 1 1.831 0.030 . 1 . . . A 63 GLU HB3 . 25061 1 812 . 1 1 63 63 GLU HG2 H 1 2.283 0.030 . 2 . . . A 63 GLU HG2 . 25061 1 813 . 1 1 63 63 GLU HG3 H 1 2.027 0.030 . 2 . . . A 63 GLU HG3 . 25061 1 814 . 1 1 63 63 GLU C C 13 176.251 0.450 . 1 . . . A 63 GLU C . 25061 1 815 . 1 1 63 63 GLU CA C 13 59.258 0.450 . 1 . . . A 63 GLU CA . 25061 1 816 . 1 1 63 63 GLU CB C 13 29.412 0.450 . 1 . . . A 63 GLU CB . 25061 1 817 . 1 1 63 63 GLU CG C 13 35.350 0.450 . 1 . . . A 63 GLU CG . 25061 1 818 . 1 1 64 64 GLU H H 1 8.878 0.030 . 1 . . . A 64 GLU H . 25061 1 819 . 1 1 64 64 GLU HA H 1 3.901 0.030 . 1 . . . A 64 GLU HA . 25061 1 820 . 1 1 64 64 GLU HB2 H 1 2.035 0.030 . 1 . . . A 64 GLU HB2 . 25061 1 821 . 1 1 64 64 GLU HB3 H 1 2.035 0.030 . 1 . . . A 64 GLU HB3 . 25061 1 822 . 1 1 64 64 GLU HG2 H 1 2.267 0.030 . 1 . . . A 64 GLU HG2 . 25061 1 823 . 1 1 64 64 GLU HG3 H 1 2.267 0.030 . 1 . . . A 64 GLU HG3 . 25061 1 824 . 1 1 64 64 GLU C C 13 178.251 0.450 . 1 . . . A 64 GLU C . 25061 1 825 . 1 1 64 64 GLU CA C 13 59.212 0.450 . 1 . . . A 64 GLU CA . 25061 1 826 . 1 1 64 64 GLU CB C 13 28.645 0.450 . 1 . . . A 64 GLU CB . 25061 1 827 . 1 1 64 64 GLU CG C 13 36.099 0.450 . 1 . . . A 64 GLU CG . 25061 1 828 . 1 1 64 64 GLU N N 15 119.209 0.450 . 1 . . . A 64 GLU N . 25061 1 829 . 1 1 65 65 VAL H H 1 7.652 0.030 . 1 . . . A 65 VAL H . 25061 1 830 . 1 1 65 65 VAL HA H 1 3.982 0.030 . 1 . . . A 65 VAL HA . 25061 1 831 . 1 1 65 65 VAL HB H 1 2.380 0.030 . 1 . . . A 65 VAL HB . 25061 1 832 . 1 1 65 65 VAL HG11 H 1 1.028 0.030 . 2 . . . A 65 VAL HG11 . 25061 1 833 . 1 1 65 65 VAL HG12 H 1 1.028 0.030 . 2 . . . A 65 VAL HG12 . 25061 1 834 . 1 1 65 65 VAL HG13 H 1 1.028 0.030 . 2 . . . A 65 VAL HG13 . 25061 1 835 . 1 1 65 65 VAL HG21 H 1 1.164 0.030 . 2 . . . A 65 VAL HG21 . 25061 1 836 . 1 1 65 65 VAL HG22 H 1 1.164 0.030 . 2 . . . A 65 VAL HG22 . 25061 1 837 . 1 1 65 65 VAL HG23 H 1 1.164 0.030 . 2 . . . A 65 VAL HG23 . 25061 1 838 . 1 1 65 65 VAL C C 13 176.915 0.450 . 1 . . . A 65 VAL C . 25061 1 839 . 1 1 65 65 VAL CA C 13 64.609 0.450 . 1 . . . A 65 VAL CA . 25061 1 840 . 1 1 65 65 VAL CB C 13 31.895 0.450 . 1 . . . A 65 VAL CB . 25061 1 841 . 1 1 65 65 VAL CG1 C 13 20.820 0.450 . 1 . . . A 65 VAL CG1 . 25061 1 842 . 1 1 65 65 VAL CG2 C 13 21.319 0.450 . 1 . . . A 65 VAL CG2 . 25061 1 843 . 1 1 65 65 VAL N N 15 116.728 0.450 . 1 . . . A 65 VAL N . 25061 1 844 . 1 1 66 66 VAL H H 1 7.896 0.030 . 1 . . . A 66 VAL H . 25061 1 845 . 1 1 66 66 VAL HA H 1 3.314 0.030 . 1 . . . A 66 VAL HA . 25061 1 846 . 1 1 66 66 VAL HB H 1 2.263 0.030 . 1 . . . A 66 VAL HB . 25061 1 847 . 1 1 66 66 VAL HG11 H 1 0.948 0.030 . 2 . . . A 66 VAL HG11 . 25061 1 848 . 1 1 66 66 VAL HG12 H 1 0.948 0.030 . 2 . . . A 66 VAL HG12 . 25061 1 849 . 1 1 66 66 VAL HG13 H 1 0.948 0.030 . 2 . . . A 66 VAL HG13 . 25061 1 850 . 1 1 66 66 VAL HG21 H 1 1.131 0.030 . 2 . . . A 66 VAL HG21 . 25061 1 851 . 1 1 66 66 VAL HG22 H 1 1.131 0.030 . 2 . . . A 66 VAL HG22 . 25061 1 852 . 1 1 66 66 VAL HG23 H 1 1.131 0.030 . 2 . . . A 66 VAL HG23 . 25061 1 853 . 1 1 66 66 VAL C C 13 177.142 0.450 . 1 . . . A 66 VAL C . 25061 1 854 . 1 1 66 66 VAL CA C 13 67.335 0.450 . 1 . . . A 66 VAL CA . 25061 1 855 . 1 1 66 66 VAL CB C 13 31.430 0.450 . 1 . . . A 66 VAL CB . 25061 1 856 . 1 1 66 66 VAL CG1 C 13 21.355 0.450 . 1 . . . A 66 VAL CG1 . 25061 1 857 . 1 1 66 66 VAL CG2 C 13 23.678 0.450 . 1 . . . A 66 VAL CG2 . 25061 1 858 . 1 1 66 66 VAL N N 15 119.462 0.450 . 1 . . . A 66 VAL N . 25061 1 859 . 1 1 67 67 ARG HA H 1 3.628 0.030 . 1 . . . A 67 ARG HA . 25061 1 860 . 1 1 67 67 ARG HB2 H 1 1.730 0.030 . 2 . . . A 67 ARG HB2 . 25061 1 861 . 1 1 67 67 ARG HB3 H 1 1.456 0.030 . 2 . . . A 67 ARG HB3 . 25061 1 862 . 1 1 67 67 ARG HG2 H 1 1.385 0.030 . 2 . . . A 67 ARG HG2 . 25061 1 863 . 1 1 67 67 ARG HG3 H 1 1.312 0.030 . 2 . . . A 67 ARG HG3 . 25061 1 864 . 1 1 67 67 ARG HD2 H 1 3.019 0.030 . 1 . . . A 67 ARG HD2 . 25061 1 865 . 1 1 67 67 ARG HD3 H 1 3.019 0.030 . 1 . . . A 67 ARG HD3 . 25061 1 866 . 1 1 67 67 ARG C C 13 177.841 0.450 . 1 . . . A 67 ARG C . 25061 1 867 . 1 1 67 67 ARG CA C 13 60.052 0.450 . 1 . . . A 67 ARG CA . 25061 1 868 . 1 1 67 67 ARG CB C 13 29.393 0.450 . 1 . . . A 67 ARG CB . 25061 1 869 . 1 1 67 67 ARG CG C 13 26.946 0.450 . 1 . . . A 67 ARG CG . 25061 1 870 . 1 1 67 67 ARG CD C 13 43.065 0.450 . 1 . . . A 67 ARG CD . 25061 1 871 . 1 1 68 68 ASP H H 1 7.625 0.030 . 1 . . . A 68 ASP H . 25061 1 872 . 1 1 68 68 ASP HA H 1 4.361 0.030 . 1 . . . A 68 ASP HA . 25061 1 873 . 1 1 68 68 ASP HB2 H 1 2.749 0.030 . 2 . . . A 68 ASP HB2 . 25061 1 874 . 1 1 68 68 ASP HB3 H 1 2.590 0.030 . 2 . . . A 68 ASP HB3 . 25061 1 875 . 1 1 68 68 ASP C C 13 178.945 0.450 . 1 . . . A 68 ASP C . 25061 1 876 . 1 1 68 68 ASP CA C 13 57.311 0.450 . 1 . . . A 68 ASP CA . 25061 1 877 . 1 1 68 68 ASP CB C 13 41.514 0.450 . 1 . . . A 68 ASP CB . 25061 1 878 . 1 1 68 68 ASP N N 15 118.316 0.450 . 1 . . . A 68 ASP N . 25061 1 879 . 1 1 69 69 ILE H H 1 8.113 0.030 . 1 . . . A 69 ILE H . 25061 1 880 . 1 1 69 69 ILE HA H 1 3.630 0.030 . 1 . . . A 69 ILE HA . 25061 1 881 . 1 1 69 69 ILE HB H 1 1.930 0.030 . 1 . . . A 69 ILE HB . 25061 1 882 . 1 1 69 69 ILE HG12 H 1 1.701 0.030 . 2 . . . A 69 ILE HG12 . 25061 1 883 . 1 1 69 69 ILE HG13 H 1 1.207 0.030 . 2 . . . A 69 ILE HG13 . 25061 1 884 . 1 1 69 69 ILE HG21 H 1 0.800 0.030 . 1 . . . A 69 ILE HG21 . 25061 1 885 . 1 1 69 69 ILE HG22 H 1 0.800 0.030 . 1 . . . A 69 ILE HG22 . 25061 1 886 . 1 1 69 69 ILE HG23 H 1 0.800 0.030 . 1 . . . A 69 ILE HG23 . 25061 1 887 . 1 1 69 69 ILE HD11 H 1 0.749 0.030 . 1 . . . A 69 ILE HD11 . 25061 1 888 . 1 1 69 69 ILE HD12 H 1 0.749 0.030 . 1 . . . A 69 ILE HD12 . 25061 1 889 . 1 1 69 69 ILE HD13 H 1 0.749 0.030 . 1 . . . A 69 ILE HD13 . 25061 1 890 . 1 1 69 69 ILE C C 13 177.138 0.450 . 1 . . . A 69 ILE C . 25061 1 891 . 1 1 69 69 ILE CA C 13 64.540 0.450 . 1 . . . A 69 ILE CA . 25061 1 892 . 1 1 69 69 ILE CB C 13 37.050 0.450 . 1 . . . A 69 ILE CB . 25061 1 893 . 1 1 69 69 ILE CG1 C 13 27.685 0.450 . 1 . . . A 69 ILE CG1 . 25061 1 894 . 1 1 69 69 ILE CG2 C 13 18.163 0.450 . 1 . . . A 69 ILE CG2 . 25061 1 895 . 1 1 69 69 ILE CD1 C 13 13.498 0.450 . 1 . . . A 69 ILE CD1 . 25061 1 896 . 1 1 69 69 ILE N N 15 119.231 0.450 . 1 . . . A 69 ILE N . 25061 1 897 . 1 1 70 70 VAL H H 1 8.478 0.030 . 1 . . . A 70 VAL H . 25061 1 898 . 1 1 70 70 VAL HA H 1 3.417 0.030 . 1 . . . A 70 VAL HA . 25061 1 899 . 1 1 70 70 VAL HB H 1 2.186 0.030 . 1 . . . A 70 VAL HB . 25061 1 900 . 1 1 70 70 VAL HG11 H 1 0.869 0.030 . 2 . . . A 70 VAL HG11 . 25061 1 901 . 1 1 70 70 VAL HG12 H 1 0.869 0.030 . 2 . . . A 70 VAL HG12 . 25061 1 902 . 1 1 70 70 VAL HG13 H 1 0.869 0.030 . 2 . . . A 70 VAL HG13 . 25061 1 903 . 1 1 70 70 VAL HG21 H 1 0.935 0.030 . 2 . . . A 70 VAL HG21 . 25061 1 904 . 1 1 70 70 VAL HG22 H 1 0.935 0.030 . 2 . . . A 70 VAL HG22 . 25061 1 905 . 1 1 70 70 VAL HG23 H 1 0.935 0.030 . 2 . . . A 70 VAL HG23 . 25061 1 906 . 1 1 70 70 VAL C C 13 177.079 0.450 . 1 . . . A 70 VAL C . 25061 1 907 . 1 1 70 70 VAL CA C 13 67.274 0.450 . 1 . . . A 70 VAL CA . 25061 1 908 . 1 1 70 70 VAL CB C 13 31.258 0.450 . 1 . . . A 70 VAL CB . 25061 1 909 . 1 1 70 70 VAL CG1 C 13 21.902 0.450 . 1 . . . A 70 VAL CG1 . 25061 1 910 . 1 1 70 70 VAL CG2 C 13 23.366 0.450 . 1 . . . A 70 VAL CG2 . 25061 1 911 . 1 1 70 70 VAL N N 15 120.164 0.450 . 1 . . . A 70 VAL N . 25061 1 912 . 1 1 71 71 GLU H H 1 8.152 0.030 . 1 . . . A 71 GLU H . 25061 1 913 . 1 1 71 71 GLU HA H 1 4.054 0.030 . 1 . . . A 71 GLU HA . 25061 1 914 . 1 1 71 71 GLU HB2 H 1 2.072 0.030 . 2 . . . A 71 GLU HB2 . 25061 1 915 . 1 1 71 71 GLU HB3 H 1 2.005 0.030 . 2 . . . A 71 GLU HB3 . 25061 1 916 . 1 1 71 71 GLU HG2 H 1 2.442 0.030 . 1 . . . A 71 GLU HG2 . 25061 1 917 . 1 1 71 71 GLU HG3 H 1 2.442 0.030 . 1 . . . A 71 GLU HG3 . 25061 1 918 . 1 1 71 71 GLU C C 13 179.009 0.450 . 1 . . . A 71 GLU C . 25061 1 919 . 1 1 71 71 GLU CA C 13 59.416 0.450 . 1 . . . A 71 GLU CA . 25061 1 920 . 1 1 71 71 GLU CB C 13 28.822 0.450 . 1 . . . A 71 GLU CB . 25061 1 921 . 1 1 71 71 GLU CG C 13 36.266 0.450 . 1 . . . A 71 GLU CG . 25061 1 922 . 1 1 71 71 GLU N N 15 118.293 0.450 . 1 . . . A 71 GLU N . 25061 1 923 . 1 1 72 72 TYR H H 1 7.959 0.030 . 1 . . . A 72 TYR H . 25061 1 924 . 1 1 72 72 TYR HA H 1 4.162 0.030 . 1 . . . A 72 TYR HA . 25061 1 925 . 1 1 72 72 TYR HB2 H 1 3.215 0.030 . 2 . . . A 72 TYR HB2 . 25061 1 926 . 1 1 72 72 TYR HB3 H 1 3.086 0.030 . 2 . . . A 72 TYR HB3 . 25061 1 927 . 1 1 72 72 TYR HD1 H 1 6.993 0.030 . 1 . . . A 72 TYR HD1 . 25061 1 928 . 1 1 72 72 TYR HD2 H 1 6.993 0.030 . 1 . . . A 72 TYR HD2 . 25061 1 929 . 1 1 72 72 TYR HE1 H 1 6.732 0.030 . 1 . . . A 72 TYR HE1 . 25061 1 930 . 1 1 72 72 TYR HE2 H 1 6.732 0.030 . 1 . . . A 72 TYR HE2 . 25061 1 931 . 1 1 72 72 TYR C C 13 176.404 0.450 . 1 . . . A 72 TYR C . 25061 1 932 . 1 1 72 72 TYR CA C 13 61.132 0.450 . 1 . . . A 72 TYR CA . 25061 1 933 . 1 1 72 72 TYR CB C 13 38.137 0.450 . 1 . . . A 72 TYR CB . 25061 1 934 . 1 1 72 72 TYR CD1 C 13 132.305 0.450 . 1 . . . A 72 TYR CD1 . 25061 1 935 . 1 1 72 72 TYR CD2 C 13 132.305 0.450 . 1 . . . A 72 TYR CD2 . 25061 1 936 . 1 1 72 72 TYR CE1 C 13 118.575 0.450 . 1 . . . A 72 TYR CE1 . 25061 1 937 . 1 1 72 72 TYR CE2 C 13 118.575 0.450 . 1 . . . A 72 TYR CE2 . 25061 1 938 . 1 1 72 72 TYR N N 15 120.091 0.450 . 1 . . . A 72 TYR N . 25061 1 939 . 1 1 73 73 ALA H H 1 8.604 0.030 . 1 . . . A 73 ALA H . 25061 1 940 . 1 1 73 73 ALA HA H 1 3.630 0.030 . 1 . . . A 73 ALA HA . 25061 1 941 . 1 1 73 73 ALA HB1 H 1 1.366 0.030 . 1 . . . A 73 ALA HB1 . 25061 1 942 . 1 1 73 73 ALA HB2 H 1 1.366 0.030 . 1 . . . A 73 ALA HB2 . 25061 1 943 . 1 1 73 73 ALA HB3 H 1 1.366 0.030 . 1 . . . A 73 ALA HB3 . 25061 1 944 . 1 1 73 73 ALA C C 13 179.182 0.450 . 1 . . . A 73 ALA C . 25061 1 945 . 1 1 73 73 ALA CA C 13 55.112 0.450 . 1 . . . A 73 ALA CA . 25061 1 946 . 1 1 73 73 ALA CB C 13 18.191 0.450 . 1 . . . A 73 ALA CB . 25061 1 947 . 1 1 73 73 ALA N N 15 120.133 0.450 . 1 . . . A 73 ALA N . 25061 1 948 . 1 1 74 74 GLN H H 1 8.619 0.030 . 1 . . . A 74 GLN H . 25061 1 949 . 1 1 74 74 GLN HA H 1 4.138 0.030 . 1 . . . A 74 GLN HA . 25061 1 950 . 1 1 74 74 GLN HB2 H 1 2.262 0.030 . 2 . . . A 74 GLN HB2 . 25061 1 951 . 1 1 74 74 GLN HB3 H 1 1.981 0.030 . 2 . . . A 74 GLN HB3 . 25061 1 952 . 1 1 74 74 GLN HG2 H 1 2.654 0.030 . 2 . . . A 74 GLN HG2 . 25061 1 953 . 1 1 74 74 GLN HG3 H 1 2.267 0.030 . 2 . . . A 74 GLN HG3 . 25061 1 954 . 1 1 74 74 GLN HE21 H 1 6.631 0.030 . 2 . . . A 74 GLN HE21 . 25061 1 955 . 1 1 74 74 GLN HE22 H 1 7.253 0.030 . 2 . . . A 74 GLN HE22 . 25061 1 956 . 1 1 74 74 GLN C C 13 180.595 0.450 . 1 . . . A 74 GLN C . 25061 1 957 . 1 1 74 74 GLN CA C 13 59.095 0.450 . 1 . . . A 74 GLN CA . 25061 1 958 . 1 1 74 74 GLN CB C 13 28.575 0.450 . 1 . . . A 74 GLN CB . 25061 1 959 . 1 1 74 74 GLN CG C 13 34.833 0.450 . 1 . . . A 74 GLN CG . 25061 1 960 . 1 1 74 74 GLN N N 15 115.553 0.450 . 1 . . . A 74 GLN N . 25061 1 961 . 1 1 74 74 GLN NE2 N 15 110.126 0.450 . 1 . . . A 74 GLN NE2 . 25061 1 962 . 1 1 75 75 LYS H H 1 8.123 0.030 . 1 . . . A 75 LYS H . 25061 1 963 . 1 1 75 75 LYS HA H 1 4.028 0.030 . 1 . . . A 75 LYS HA . 25061 1 964 . 1 1 75 75 LYS HB2 H 1 1.948 0.030 . 1 . . . A 75 LYS HB2 . 25061 1 965 . 1 1 75 75 LYS HB3 H 1 1.948 0.030 . 1 . . . A 75 LYS HB3 . 25061 1 966 . 1 1 75 75 LYS HG2 H 1 1.475 0.030 . 1 . . . A 75 LYS HG2 . 25061 1 967 . 1 1 75 75 LYS HG3 H 1 1.475 0.030 . 1 . . . A 75 LYS HG3 . 25061 1 968 . 1 1 75 75 LYS HD2 H 1 1.664 0.030 . 1 . . . A 75 LYS HD2 . 25061 1 969 . 1 1 75 75 LYS HD3 H 1 1.664 0.030 . 1 . . . A 75 LYS HD3 . 25061 1 970 . 1 1 75 75 LYS HE2 H 1 2.985 0.030 . 1 . . . A 75 LYS HE2 . 25061 1 971 . 1 1 75 75 LYS HE3 H 1 2.985 0.030 . 1 . . . A 75 LYS HE3 . 25061 1 972 . 1 1 75 75 LYS C C 13 178.521 0.450 . 1 . . . A 75 LYS C . 25061 1 973 . 1 1 75 75 LYS CA C 13 59.058 0.450 . 1 . . . A 75 LYS CA . 25061 1 974 . 1 1 75 75 LYS CB C 13 31.599 0.450 . 1 . . . A 75 LYS CB . 25061 1 975 . 1 1 75 75 LYS CG C 13 25.003 0.450 . 1 . . . A 75 LYS CG . 25061 1 976 . 1 1 75 75 LYS CD C 13 29.206 0.450 . 1 . . . A 75 LYS CD . 25061 1 977 . 1 1 75 75 LYS CE C 13 41.850 0.450 . 1 . . . A 75 LYS CE . 25061 1 978 . 1 1 75 75 LYS N N 15 122.396 0.450 . 1 . . . A 75 LYS N . 25061 1 979 . 1 1 76 76 GLU H H 1 7.450 0.030 . 1 . . . A 76 GLU H . 25061 1 980 . 1 1 76 76 GLU HA H 1 4.099 0.030 . 1 . . . A 76 GLU HA . 25061 1 981 . 1 1 76 76 GLU HB2 H 1 2.103 0.030 . 2 . . . A 76 GLU HB2 . 25061 1 982 . 1 1 76 76 GLU HB3 H 1 1.549 0.030 . 2 . . . A 76 GLU HB3 . 25061 1 983 . 1 1 76 76 GLU HG2 H 1 1.734 0.030 . 2 . . . A 76 GLU HG2 . 25061 1 984 . 1 1 76 76 GLU HG3 H 1 1.617 0.030 . 2 . . . A 76 GLU HG3 . 25061 1 985 . 1 1 76 76 GLU C C 13 175.957 0.450 . 1 . . . A 76 GLU C . 25061 1 986 . 1 1 76 76 GLU CA C 13 55.605 0.450 . 1 . . . A 76 GLU CA . 25061 1 987 . 1 1 76 76 GLU CB C 13 29.824 0.450 . 1 . . . A 76 GLU CB . 25061 1 988 . 1 1 76 76 GLU CG C 13 35.377 0.450 . 1 . . . A 76 GLU CG . 25061 1 989 . 1 1 76 76 GLU N N 15 116.294 0.450 . 1 . . . A 76 GLU N . 25061 1 990 . 1 1 77 77 GLY H H 1 7.763 0.030 . 1 . . . A 77 GLY H . 25061 1 991 . 1 1 77 77 GLY HA2 H 1 4.018 0.030 . 2 . . . A 77 GLY HA2 . 25061 1 992 . 1 1 77 77 GLY HA3 H 1 3.765 0.030 . 2 . . . A 77 GLY HA3 . 25061 1 993 . 1 1 77 77 GLY C C 13 174.520 0.450 . 1 . . . A 77 GLY C . 25061 1 994 . 1 1 77 77 GLY CA C 13 45.807 0.450 . 1 . . . A 77 GLY CA . 25061 1 995 . 1 1 77 77 GLY N N 15 107.446 0.450 . 1 . . . A 77 GLY N . 25061 1 996 . 1 1 78 78 LEU H H 1 7.930 0.030 . 1 . . . A 78 LEU H . 25061 1 997 . 1 1 78 78 LEU HA H 1 4.388 0.030 . 1 . . . A 78 LEU HA . 25061 1 998 . 1 1 78 78 LEU HB2 H 1 1.446 0.030 . 2 . . . A 78 LEU HB2 . 25061 1 999 . 1 1 78 78 LEU HB3 H 1 1.258 0.030 . 2 . . . A 78 LEU HB3 . 25061 1 1000 . 1 1 78 78 LEU HG H 1 1.457 0.030 . 1 . . . A 78 LEU HG . 25061 1 1001 . 1 1 78 78 LEU HD11 H 1 0.702 0.030 . 2 . . . A 78 LEU HD11 . 25061 1 1002 . 1 1 78 78 LEU HD12 H 1 0.702 0.030 . 2 . . . A 78 LEU HD12 . 25061 1 1003 . 1 1 78 78 LEU HD13 H 1 0.702 0.030 . 2 . . . A 78 LEU HD13 . 25061 1 1004 . 1 1 78 78 LEU HD21 H 1 0.681 0.030 . 2 . . . A 78 LEU HD21 . 25061 1 1005 . 1 1 78 78 LEU HD22 H 1 0.681 0.030 . 2 . . . A 78 LEU HD22 . 25061 1 1006 . 1 1 78 78 LEU HD23 H 1 0.681 0.030 . 2 . . . A 78 LEU HD23 . 25061 1 1007 . 1 1 78 78 LEU C C 13 175.914 0.450 . 1 . . . A 78 LEU C . 25061 1 1008 . 1 1 78 78 LEU CA C 13 53.472 0.450 . 1 . . . A 78 LEU CA . 25061 1 1009 . 1 1 78 78 LEU CB C 13 41.889 0.450 . 1 . . . A 78 LEU CB . 25061 1 1010 . 1 1 78 78 LEU CG C 13 26.772 0.450 . 1 . . . A 78 LEU CG . 25061 1 1011 . 1 1 78 78 LEU CD1 C 13 25.708 0.450 . 1 . . . A 78 LEU CD1 . 25061 1 1012 . 1 1 78 78 LEU CD2 C 13 22.569 0.450 . 1 . . . A 78 LEU CD2 . 25061 1 1013 . 1 1 78 78 LEU N N 15 120.179 0.450 . 1 . . . A 78 LEU N . 25061 1 1014 . 1 1 79 79 ARG H H 1 8.241 0.030 . 1 . . . A 79 ARG H . 25061 1 1015 . 1 1 79 79 ARG HA H 1 4.397 0.030 . 1 . . . A 79 ARG HA . 25061 1 1016 . 1 1 79 79 ARG HB2 H 1 1.856 0.030 . 1 . . . A 79 ARG HB2 . 25061 1 1017 . 1 1 79 79 ARG HB3 H 1 1.856 0.030 . 1 . . . A 79 ARG HB3 . 25061 1 1018 . 1 1 79 79 ARG HG2 H 1 1.716 0.030 . 2 . . . A 79 ARG HG2 . 25061 1 1019 . 1 1 79 79 ARG HG3 H 1 1.525 0.030 . 2 . . . A 79 ARG HG3 . 25061 1 1020 . 1 1 79 79 ARG HD2 H 1 3.160 0.030 . 1 . . . A 79 ARG HD2 . 25061 1 1021 . 1 1 79 79 ARG HD3 H 1 3.160 0.030 . 1 . . . A 79 ARG HD3 . 25061 1 1022 . 1 1 79 79 ARG C C 13 174.960 0.450 . 1 . . . A 79 ARG C . 25061 1 1023 . 1 1 79 79 ARG CA C 13 55.648 0.450 . 1 . . . A 79 ARG CA . 25061 1 1024 . 1 1 79 79 ARG CB C 13 30.476 0.450 . 1 . . . A 79 ARG CB . 25061 1 1025 . 1 1 79 79 ARG CG C 13 27.381 0.450 . 1 . . . A 79 ARG CG . 25061 1 1026 . 1 1 79 79 ARG CD C 13 43.230 0.450 . 1 . . . A 79 ARG CD . 25061 1 1027 . 1 1 79 79 ARG N N 15 122.207 0.450 . 1 . . . A 79 ARG N . 25061 1 1028 . 1 1 80 80 VAL H H 1 8.359 0.030 . 1 . . . A 80 VAL H . 25061 1 1029 . 1 1 80 80 VAL HA H 1 5.295 0.030 . 1 . . . A 80 VAL HA . 25061 1 1030 . 1 1 80 80 VAL HB H 1 1.850 0.030 . 1 . . . A 80 VAL HB . 25061 1 1031 . 1 1 80 80 VAL HG11 H 1 0.860 0.030 . 1 . . . A 80 VAL HG11 . 25061 1 1032 . 1 1 80 80 VAL HG12 H 1 0.860 0.030 . 1 . . . A 80 VAL HG12 . 25061 1 1033 . 1 1 80 80 VAL HG13 H 1 0.860 0.030 . 1 . . . A 80 VAL HG13 . 25061 1 1034 . 1 1 80 80 VAL HG21 H 1 0.860 0.030 . 1 . . . A 80 VAL HG21 . 25061 1 1035 . 1 1 80 80 VAL HG22 H 1 0.860 0.030 . 1 . . . A 80 VAL HG22 . 25061 1 1036 . 1 1 80 80 VAL HG23 H 1 0.860 0.030 . 1 . . . A 80 VAL HG23 . 25061 1 1037 . 1 1 80 80 VAL C C 13 174.048 0.450 . 1 . . . A 80 VAL C . 25061 1 1038 . 1 1 80 80 VAL CA C 13 60.041 0.450 . 1 . . . A 80 VAL CA . 25061 1 1039 . 1 1 80 80 VAL CB C 13 34.305 0.450 . 1 . . . A 80 VAL CB . 25061 1 1040 . 1 1 80 80 VAL CG1 C 13 21.879 0.450 . 1 . . . A 80 VAL CG1 . 25061 1 1041 . 1 1 80 80 VAL CG2 C 13 21.879 0.450 . 1 . . . A 80 VAL CG2 . 25061 1 1042 . 1 1 80 80 VAL N N 15 123.333 0.450 . 1 . . . A 80 VAL N . 25061 1 1043 . 1 1 81 81 LEU H H 1 8.650 0.030 . 1 . . . A 81 LEU H . 25061 1 1044 . 1 1 81 81 LEU HA H 1 5.104 0.030 . 1 . . . A 81 LEU HA . 25061 1 1045 . 1 1 81 81 LEU HB2 H 1 1.665 0.030 . 2 . . . A 81 LEU HB2 . 25061 1 1046 . 1 1 81 81 LEU HB3 H 1 1.519 0.030 . 2 . . . A 81 LEU HB3 . 25061 1 1047 . 1 1 81 81 LEU HG H 1 1.577 0.030 . 1 . . . A 81 LEU HG . 25061 1 1048 . 1 1 81 81 LEU HD11 H 1 0.811 0.030 . 2 . . . A 81 LEU HD11 . 25061 1 1049 . 1 1 81 81 LEU HD12 H 1 0.811 0.030 . 2 . . . A 81 LEU HD12 . 25061 1 1050 . 1 1 81 81 LEU HD13 H 1 0.811 0.030 . 2 . . . A 81 LEU HD13 . 25061 1 1051 . 1 1 81 81 LEU HD21 H 1 0.850 0.030 . 2 . . . A 81 LEU HD21 . 25061 1 1052 . 1 1 81 81 LEU HD22 H 1 0.850 0.030 . 2 . . . A 81 LEU HD22 . 25061 1 1053 . 1 1 81 81 LEU HD23 H 1 0.850 0.030 . 2 . . . A 81 LEU HD23 . 25061 1 1054 . 1 1 81 81 LEU C C 13 174.484 0.450 . 1 . . . A 81 LEU C . 25061 1 1055 . 1 1 81 81 LEU CA C 13 54.120 0.450 . 1 . . . A 81 LEU CA . 25061 1 1056 . 1 1 81 81 LEU CB C 13 44.955 0.450 . 1 . . . A 81 LEU CB . 25061 1 1057 . 1 1 81 81 LEU CG C 13 28.103 0.450 . 1 . . . A 81 LEU CG . 25061 1 1058 . 1 1 81 81 LEU CD1 C 13 25.393 0.450 . 1 . . . A 81 LEU CD1 . 25061 1 1059 . 1 1 81 81 LEU CD2 C 13 26.170 0.450 . 1 . . . A 81 LEU CD2 . 25061 1 1060 . 1 1 81 81 LEU N N 15 128.719 0.450 . 1 . . . A 81 LEU N . 25061 1 1061 . 1 1 82 82 VAL H H 1 8.781 0.030 . 1 . . . A 82 VAL H . 25061 1 1062 . 1 1 82 82 VAL HA H 1 5.097 0.030 . 1 . . . A 82 VAL HA . 25061 1 1063 . 1 1 82 82 VAL HB H 1 1.984 0.030 . 1 . . . A 82 VAL HB . 25061 1 1064 . 1 1 82 82 VAL HG11 H 1 0.912 0.030 . 2 . . . A 82 VAL HG11 . 25061 1 1065 . 1 1 82 82 VAL HG12 H 1 0.912 0.030 . 2 . . . A 82 VAL HG12 . 25061 1 1066 . 1 1 82 82 VAL HG13 H 1 0.912 0.030 . 2 . . . A 82 VAL HG13 . 25061 1 1067 . 1 1 82 82 VAL HG21 H 1 0.768 0.030 . 2 . . . A 82 VAL HG21 . 25061 1 1068 . 1 1 82 82 VAL HG22 H 1 0.768 0.030 . 2 . . . A 82 VAL HG22 . 25061 1 1069 . 1 1 82 82 VAL HG23 H 1 0.768 0.030 . 2 . . . A 82 VAL HG23 . 25061 1 1070 . 1 1 82 82 VAL C C 13 174.525 0.450 . 1 . . . A 82 VAL C . 25061 1 1071 . 1 1 82 82 VAL CA C 13 60.285 0.450 . 1 . . . A 82 VAL CA . 25061 1 1072 . 1 1 82 82 VAL CB C 13 34.789 0.450 . 1 . . . A 82 VAL CB . 25061 1 1073 . 1 1 82 82 VAL CG1 C 13 20.888 0.450 . 1 . . . A 82 VAL CG1 . 25061 1 1074 . 1 1 82 82 VAL CG2 C 13 21.272 0.450 . 1 . . . A 82 VAL CG2 . 25061 1 1075 . 1 1 82 82 VAL N N 15 122.487 0.450 . 1 . . . A 82 VAL N . 25061 1 1076 . 1 1 83 83 ILE H H 1 9.527 0.030 . 1 . . . A 83 ILE H . 25061 1 1077 . 1 1 83 83 ILE HA H 1 4.930 0.030 . 1 . . . A 83 ILE HA . 25061 1 1078 . 1 1 83 83 ILE HB H 1 1.666 0.030 . 1 . . . A 83 ILE HB . 25061 1 1079 . 1 1 83 83 ILE HG12 H 1 1.397 0.030 . 2 . . . A 83 ILE HG12 . 25061 1 1080 . 1 1 83 83 ILE HG13 H 1 0.808 0.030 . 2 . . . A 83 ILE HG13 . 25061 1 1081 . 1 1 83 83 ILE HG21 H 1 0.700 0.030 . 1 . . . A 83 ILE HG21 . 25061 1 1082 . 1 1 83 83 ILE HG22 H 1 0.700 0.030 . 1 . . . A 83 ILE HG22 . 25061 1 1083 . 1 1 83 83 ILE HG23 H 1 0.700 0.030 . 1 . . . A 83 ILE HG23 . 25061 1 1084 . 1 1 83 83 ILE HD11 H 1 0.662 0.030 . 1 . . . A 83 ILE HD11 . 25061 1 1085 . 1 1 83 83 ILE HD12 H 1 0.662 0.030 . 1 . . . A 83 ILE HD12 . 25061 1 1086 . 1 1 83 83 ILE HD13 H 1 0.662 0.030 . 1 . . . A 83 ILE HD13 . 25061 1 1087 . 1 1 83 83 ILE C C 13 172.925 0.450 . 1 . . . A 83 ILE C . 25061 1 1088 . 1 1 83 83 ILE CA C 13 59.941 0.450 . 1 . . . A 83 ILE CA . 25061 1 1089 . 1 1 83 83 ILE CB C 13 40.186 0.450 . 1 . . . A 83 ILE CB . 25061 1 1090 . 1 1 83 83 ILE CG1 C 13 27.446 0.450 . 1 . . . A 83 ILE CG1 . 25061 1 1091 . 1 1 83 83 ILE CG2 C 13 16.138 0.450 . 1 . . . A 83 ILE CG2 . 25061 1 1092 . 1 1 83 83 ILE CD1 C 13 13.548 0.450 . 1 . . . A 83 ILE CD1 . 25061 1 1093 . 1 1 83 83 ILE N N 15 128.082 0.450 . 1 . . . A 83 ILE N . 25061 1 1094 . 1 1 84 84 LYS H H 1 8.721 0.030 . 1 . . . A 84 LYS H . 25061 1 1095 . 1 1 84 84 LYS HA H 1 5.048 0.030 . 1 . . . A 84 LYS HA . 25061 1 1096 . 1 1 84 84 LYS HB2 H 1 1.497 0.030 . 2 . . . A 84 LYS HB2 . 25061 1 1097 . 1 1 84 84 LYS HB3 H 1 1.044 0.030 . 2 . . . A 84 LYS HB3 . 25061 1 1098 . 1 1 84 84 LYS HG2 H 1 0.909 0.030 . 2 . . . A 84 LYS HG2 . 25061 1 1099 . 1 1 84 84 LYS HG3 H 1 0.616 0.030 . 2 . . . A 84 LYS HG3 . 25061 1 1100 . 1 1 84 84 LYS HE2 H 1 2.700 0.030 . 2 . . . A 84 LYS HE2 . 25061 1 1101 . 1 1 84 84 LYS HE3 H 1 2.468 0.030 . 2 . . . A 84 LYS HE3 . 25061 1 1102 . 1 1 84 84 LYS C C 13 174.027 0.450 . 1 . . . A 84 LYS C . 25061 1 1103 . 1 1 84 84 LYS CA C 13 53.253 0.450 . 1 . . . A 84 LYS CA . 25061 1 1104 . 1 1 84 84 LYS CB C 13 34.652 0.450 . 1 . . . A 84 LYS CB . 25061 1 1105 . 1 1 84 84 LYS CG C 13 25.784 0.450 . 1 . . . A 84 LYS CG . 25061 1 1106 . 1 1 84 84 LYS CE C 13 42.537 0.450 . 1 . . . A 84 LYS CE . 25061 1 1107 . 1 1 84 84 LYS N N 15 128.493 0.450 . 1 . . . A 84 LYS N . 25061 1 1108 . 1 1 85 85 VAL H H 1 8.643 0.030 . 1 . . . A 85 VAL H . 25061 1 1109 . 1 1 85 85 VAL HA H 1 4.736 0.030 . 1 . . . A 85 VAL HA . 25061 1 1110 . 1 1 85 85 VAL HB H 1 2.030 0.030 . 1 . . . A 85 VAL HB . 25061 1 1111 . 1 1 85 85 VAL HG11 H 1 0.775 0.030 . 2 . . . A 85 VAL HG11 . 25061 1 1112 . 1 1 85 85 VAL HG12 H 1 0.775 0.030 . 2 . . . A 85 VAL HG12 . 25061 1 1113 . 1 1 85 85 VAL HG13 H 1 0.775 0.030 . 2 . . . A 85 VAL HG13 . 25061 1 1114 . 1 1 85 85 VAL HG21 H 1 0.687 0.030 . 2 . . . A 85 VAL HG21 . 25061 1 1115 . 1 1 85 85 VAL HG22 H 1 0.687 0.030 . 2 . . . A 85 VAL HG22 . 25061 1 1116 . 1 1 85 85 VAL HG23 H 1 0.687 0.030 . 2 . . . A 85 VAL HG23 . 25061 1 1117 . 1 1 85 85 VAL C C 13 175.935 0.450 . 1 . . . A 85 VAL C . 25061 1 1118 . 1 1 85 85 VAL CA C 13 60.200 0.450 . 1 . . . A 85 VAL CA . 25061 1 1119 . 1 1 85 85 VAL CB C 13 30.847 0.450 . 1 . . . A 85 VAL CB . 25061 1 1120 . 1 1 85 85 VAL CG1 C 13 21.006 0.450 . 1 . . . A 85 VAL CG1 . 25061 1 1121 . 1 1 85 85 VAL CG2 C 13 20.421 0.450 . 1 . . . A 85 VAL CG2 . 25061 1 1122 . 1 1 85 85 VAL N N 15 126.729 0.450 . 1 . . . A 85 VAL N . 25061 1 1123 . 1 1 86 86 ALA H H 1 8.835 0.030 . 1 . . . A 86 ALA H . 25061 1 1124 . 1 1 86 86 ALA HA H 1 4.430 0.030 . 1 . . . A 86 ALA HA . 25061 1 1125 . 1 1 86 86 ALA HB1 H 1 1.247 0.030 . 1 . . . A 86 ALA HB1 . 25061 1 1126 . 1 1 86 86 ALA HB2 H 1 1.247 0.030 . 1 . . . A 86 ALA HB2 . 25061 1 1127 . 1 1 86 86 ALA HB3 H 1 1.247 0.030 . 1 . . . A 86 ALA HB3 . 25061 1 1128 . 1 1 86 86 ALA C C 13 175.635 0.450 . 1 . . . A 86 ALA C . 25061 1 1129 . 1 1 86 86 ALA CA C 13 51.504 0.450 . 1 . . . A 86 ALA CA . 25061 1 1130 . 1 1 86 86 ALA CB C 13 20.821 0.450 . 1 . . . A 86 ALA CB . 25061 1 1131 . 1 1 86 86 ALA N N 15 132.930 0.450 . 1 . . . A 86 ALA N . 25061 1 1132 . 1 1 87 87 GLN H H 1 8.570 0.030 . 1 . . . A 87 GLN H . 25061 1 1133 . 1 1 87 87 GLN HA H 1 4.469 0.030 . 1 . . . A 87 GLN HA . 25061 1 1134 . 1 1 87 87 GLN HB2 H 1 2.172 0.030 . 2 . . . A 87 GLN HB2 . 25061 1 1135 . 1 1 87 87 GLN HB3 H 1 1.995 0.030 . 2 . . . A 87 GLN HB3 . 25061 1 1136 . 1 1 87 87 GLN HG2 H 1 2.412 0.030 . 1 . . . A 87 GLN HG2 . 25061 1 1137 . 1 1 87 87 GLN HG3 H 1 2.412 0.030 . 1 . . . A 87 GLN HG3 . 25061 1 1138 . 1 1 87 87 GLN HE21 H 1 6.967 0.030 . 2 . . . A 87 GLN HE21 . 25061 1 1139 . 1 1 87 87 GLN HE22 H 1 7.686 0.030 . 2 . . . A 87 GLN HE22 . 25061 1 1140 . 1 1 87 87 GLN C C 13 175.949 0.450 . 1 . . . A 87 GLN C . 25061 1 1141 . 1 1 87 87 GLN CA C 13 55.260 0.450 . 1 . . . A 87 GLN CA . 25061 1 1142 . 1 1 87 87 GLN CB C 13 30.432 0.450 . 1 . . . A 87 GLN CB . 25061 1 1143 . 1 1 87 87 GLN CG C 13 34.425 0.450 . 1 . . . A 87 GLN CG . 25061 1 1144 . 1 1 87 87 GLN N N 15 118.719 0.450 . 1 . . . A 87 GLN N . 25061 1 1145 . 1 1 87 87 GLN NE2 N 15 112.643 0.450 . 1 . . . A 87 GLN NE2 . 25061 1 1146 . 1 1 88 88 ASP HA H 1 4.480 0.030 . 1 . . . A 88 ASP HA . 25061 1 1147 . 1 1 88 88 ASP HB2 H 1 2.709 0.030 . 1 . . . A 88 ASP HB2 . 25061 1 1148 . 1 1 88 88 ASP HB3 H 1 2.709 0.030 . 1 . . . A 88 ASP HB3 . 25061 1 1149 . 1 1 88 88 ASP CA C 13 55.454 0.450 . 1 . . . A 88 ASP CA . 25061 1 1150 . 1 1 88 88 ASP CB C 13 41.204 0.450 . 1 . . . A 88 ASP CB . 25061 1 1151 . 1 1 89 89 GLN HA H 1 4.047 0.030 . 1 . . . A 89 GLN HA . 25061 1 1152 . 1 1 89 89 GLN HB2 H 1 2.220 0.030 . 2 . . . A 89 GLN HB2 . 25061 1 1153 . 1 1 89 89 GLN HB3 H 1 2.121 0.030 . 2 . . . A 89 GLN HB3 . 25061 1 1154 . 1 1 89 89 GLN HG2 H 1 2.344 0.030 . 2 . . . A 89 GLN HG2 . 25061 1 1155 . 1 1 89 89 GLN HG3 H 1 2.300 0.030 . 2 . . . A 89 GLN HG3 . 25061 1 1156 . 1 1 89 89 GLN HE21 H 1 6.816 0.030 . 2 . . . A 89 GLN HE21 . 25061 1 1157 . 1 1 89 89 GLN HE22 H 1 7.639 0.030 . 2 . . . A 89 GLN HE22 . 25061 1 1158 . 1 1 89 89 GLN CA C 13 56.687 0.450 . 1 . . . A 89 GLN CA . 25061 1 1159 . 1 1 89 89 GLN CB C 13 27.850 0.450 . 1 . . . A 89 GLN CB . 25061 1 1160 . 1 1 89 89 GLN CG C 13 33.930 0.450 . 1 . . . A 89 GLN CG . 25061 1 1161 . 1 1 89 89 GLN NE2 N 15 112.700 0.450 . 1 . . . A 89 GLN NE2 . 25061 1 1162 . 1 1 92 92 LEU H H 1 8.277 0.030 . 1 . . . A 92 LEU H . 25061 1 1163 . 1 1 92 92 LEU HA H 1 4.201 0.030 . 1 . . . A 92 LEU HA . 25061 1 1164 . 1 1 92 92 LEU HB2 H 1 1.539 0.030 . 1 . . . A 92 LEU HB2 . 25061 1 1165 . 1 1 92 92 LEU HB3 H 1 1.539 0.030 . 1 . . . A 92 LEU HB3 . 25061 1 1166 . 1 1 92 92 LEU HG H 1 1.636 0.030 . 1 . . . A 92 LEU HG . 25061 1 1167 . 1 1 92 92 LEU HD11 H 1 0.707 0.030 . 2 . . . A 92 LEU HD11 . 25061 1 1168 . 1 1 92 92 LEU HD12 H 1 0.707 0.030 . 2 . . . A 92 LEU HD12 . 25061 1 1169 . 1 1 92 92 LEU HD13 H 1 0.707 0.030 . 2 . . . A 92 LEU HD13 . 25061 1 1170 . 1 1 92 92 LEU HD21 H 1 0.729 0.030 . 2 . . . A 92 LEU HD21 . 25061 1 1171 . 1 1 92 92 LEU HD22 H 1 0.729 0.030 . 2 . . . A 92 LEU HD22 . 25061 1 1172 . 1 1 92 92 LEU HD23 H 1 0.729 0.030 . 2 . . . A 92 LEU HD23 . 25061 1 1173 . 1 1 92 92 LEU CA C 13 55.057 0.450 . 1 . . . A 92 LEU CA . 25061 1 1174 . 1 1 92 92 LEU CB C 13 42.046 0.450 . 1 . . . A 92 LEU CB . 25061 1 1175 . 1 1 92 92 LEU CG C 13 26.476 0.450 . 1 . . . A 92 LEU CG . 25061 1 1176 . 1 1 92 92 LEU CD1 C 13 24.324 0.450 . 1 . . . A 92 LEU CD1 . 25061 1 1177 . 1 1 92 92 LEU CD2 C 13 24.972 0.450 . 1 . . . A 92 LEU CD2 . 25061 1 1178 . 1 1 92 92 LEU N N 15 125.291 0.450 . 1 . . . A 92 LEU N . 25061 1 1179 . 1 1 93 93 GLU HB2 H 1 2.138 0.030 . 2 . . . A 93 GLU HB2 . 25061 1 1180 . 1 1 93 93 GLU HB3 H 1 1.824 0.030 . 2 . . . A 93 GLU HB3 . 25061 1 1181 . 1 1 93 93 GLU HG2 H 1 2.478 0.030 . 1 . . . A 93 GLU HG2 . 25061 1 1182 . 1 1 93 93 GLU HG3 H 1 2.478 0.030 . 1 . . . A 93 GLU HG3 . 25061 1 1183 . 1 1 93 93 GLU CB C 13 29.756 0.450 . 1 . . . A 93 GLU CB . 25061 1 1184 . 1 1 93 93 GLU CG C 13 36.226 0.450 . 1 . . . A 93 GLU CG . 25061 1 1185 . 1 1 94 94 ARG HA H 1 4.049 0.030 . 1 . . . A 94 ARG HA . 25061 1 1186 . 1 1 94 94 ARG HB2 H 1 1.942 0.030 . 1 . . . A 94 ARG HB2 . 25061 1 1187 . 1 1 94 94 ARG HB3 H 1 1.942 0.030 . 1 . . . A 94 ARG HB3 . 25061 1 1188 . 1 1 94 94 ARG HG2 H 1 1.784 0.030 . 1 . . . A 94 ARG HG2 . 25061 1 1189 . 1 1 94 94 ARG HG3 H 1 1.784 0.030 . 1 . . . A 94 ARG HG3 . 25061 1 1190 . 1 1 94 94 ARG HD2 H 1 3.249 0.030 . 1 . . . A 94 ARG HD2 . 25061 1 1191 . 1 1 94 94 ARG HD3 H 1 3.249 0.030 . 1 . . . A 94 ARG HD3 . 25061 1 1192 . 1 1 94 94 ARG C C 13 178.544 0.450 . 1 . . . A 94 ARG C . 25061 1 1193 . 1 1 94 94 ARG CA C 13 58.607 0.450 . 1 . . . A 94 ARG CA . 25061 1 1194 . 1 1 94 94 ARG CB C 13 29.614 0.450 . 1 . . . A 94 ARG CB . 25061 1 1195 . 1 1 94 94 ARG CG C 13 27.052 0.450 . 1 . . . A 94 ARG CG . 25061 1 1196 . 1 1 94 94 ARG CD C 13 43.132 0.450 . 1 . . . A 94 ARG CD . 25061 1 1197 . 1 1 95 95 PHE H H 1 8.419 0.030 . 1 . . . A 95 PHE H . 25061 1 1198 . 1 1 95 95 PHE HA H 1 4.375 0.030 . 1 . . . A 95 PHE HA . 25061 1 1199 . 1 1 95 95 PHE HB2 H 1 3.184 0.030 . 1 . . . A 95 PHE HB2 . 25061 1 1200 . 1 1 95 95 PHE HB3 H 1 2.778 0.030 . 1 . . . A 95 PHE HB3 . 25061 1 1201 . 1 1 95 95 PHE HD1 H 1 6.714 0.030 . 1 . . . A 95 PHE HD1 . 25061 1 1202 . 1 1 95 95 PHE HD2 H 1 6.714 0.030 . 1 . . . A 95 PHE HD2 . 25061 1 1203 . 1 1 95 95 PHE HE1 H 1 6.775 0.030 . 1 . . . A 95 PHE HE1 . 25061 1 1204 . 1 1 95 95 PHE HE2 H 1 6.775 0.030 . 1 . . . A 95 PHE HE2 . 25061 1 1205 . 1 1 95 95 PHE HZ H 1 6.916 0.030 . 1 . . . A 95 PHE HZ . 25061 1 1206 . 1 1 95 95 PHE CA C 13 60.231 0.450 . 1 . . . A 95 PHE CA . 25061 1 1207 . 1 1 95 95 PHE CB C 13 37.942 0.450 . 1 . . . A 95 PHE CB . 25061 1 1208 . 1 1 95 95 PHE CD1 C 13 131.643 0.450 . 1 . . . A 95 PHE CD1 . 25061 1 1209 . 1 1 95 95 PHE CD2 C 13 131.643 0.450 . 1 . . . A 95 PHE CD2 . 25061 1 1210 . 1 1 95 95 PHE CE1 C 13 130.214 0.450 . 1 . . . A 95 PHE CE1 . 25061 1 1211 . 1 1 95 95 PHE CE2 C 13 130.214 0.450 . 1 . . . A 95 PHE CE2 . 25061 1 1212 . 1 1 95 95 PHE CZ C 13 129.599 0.450 . 1 . . . A 95 PHE CZ . 25061 1 1213 . 1 1 95 95 PHE N N 15 117.407 0.450 . 1 . . . A 95 PHE N . 25061 1 1214 . 1 1 96 96 TYR HA H 1 3.808 0.030 . 1 . . . A 96 TYR HA . 25061 1 1215 . 1 1 96 96 TYR HB2 H 1 2.867 0.030 . 2 . . . A 96 TYR HB2 . 25061 1 1216 . 1 1 96 96 TYR HB3 H 1 2.792 0.030 . 2 . . . A 96 TYR HB3 . 25061 1 1217 . 1 1 96 96 TYR HD1 H 1 6.945 0.030 . 1 . . . A 96 TYR HD1 . 25061 1 1218 . 1 1 96 96 TYR HD2 H 1 6.945 0.030 . 1 . . . A 96 TYR HD2 . 25061 1 1219 . 1 1 96 96 TYR HE1 H 1 6.630 0.030 . 1 . . . A 96 TYR HE1 . 25061 1 1220 . 1 1 96 96 TYR HE2 H 1 6.630 0.030 . 1 . . . A 96 TYR HE2 . 25061 1 1221 . 1 1 96 96 TYR C C 13 177.728 0.450 . 1 . . . A 96 TYR C . 25061 1 1222 . 1 1 96 96 TYR CA C 13 63.156 0.450 . 1 . . . A 96 TYR CA . 25061 1 1223 . 1 1 96 96 TYR CB C 13 37.700 0.450 . 1 . . . A 96 TYR CB . 25061 1 1224 . 1 1 96 96 TYR CD1 C 13 132.317 0.450 . 1 . . . A 96 TYR CD1 . 25061 1 1225 . 1 1 96 96 TYR CD2 C 13 132.317 0.450 . 1 . . . A 96 TYR CD2 . 25061 1 1226 . 1 1 96 96 TYR CE1 C 13 117.855 0.450 . 1 . . . A 96 TYR CE1 . 25061 1 1227 . 1 1 96 96 TYR CE2 C 13 117.855 0.450 . 1 . . . A 96 TYR CE2 . 25061 1 1228 . 1 1 97 97 GLU H H 1 7.858 0.030 . 1 . . . A 97 GLU H . 25061 1 1229 . 1 1 97 97 GLU HA H 1 4.063 0.030 . 1 . . . A 97 GLU HA . 25061 1 1230 . 1 1 97 97 GLU HB2 H 1 2.084 0.030 . 1 . . . A 97 GLU HB2 . 25061 1 1231 . 1 1 97 97 GLU HB3 H 1 2.084 0.030 . 1 . . . A 97 GLU HB3 . 25061 1 1232 . 1 1 97 97 GLU HG2 H 1 2.412 0.030 . 1 . . . A 97 GLU HG2 . 25061 1 1233 . 1 1 97 97 GLU HG3 H 1 2.412 0.030 . 1 . . . A 97 GLU HG3 . 25061 1 1234 . 1 1 97 97 GLU C C 13 179.071 0.450 . 1 . . . A 97 GLU C . 25061 1 1235 . 1 1 97 97 GLU CA C 13 58.760 0.450 . 1 . . . A 97 GLU CA . 25061 1 1236 . 1 1 97 97 GLU CB C 13 29.172 0.450 . 1 . . . A 97 GLU CB . 25061 1 1237 . 1 1 97 97 GLU CG C 13 35.593 0.450 . 1 . . . A 97 GLU CG . 25061 1 1238 . 1 1 97 97 GLU N N 15 119.054 0.450 . 1 . . . A 97 GLU N . 25061 1 1239 . 1 1 98 98 GLN H H 1 7.747 0.030 . 1 . . . A 98 GLN H . 25061 1 1240 . 1 1 98 98 GLN HA H 1 3.901 0.030 . 1 . . . A 98 GLN HA . 25061 1 1241 . 1 1 98 98 GLN HB2 H 1 2.138 0.030 . 1 . . . A 98 GLN HB2 . 25061 1 1242 . 1 1 98 98 GLN HB3 H 1 2.138 0.030 . 1 . . . A 98 GLN HB3 . 25061 1 1243 . 1 1 98 98 GLN HG2 H 1 2.359 0.030 . 1 . . . A 98 GLN HG2 . 25061 1 1244 . 1 1 98 98 GLN HG3 H 1 2.359 0.030 . 1 . . . A 98 GLN HG3 . 25061 1 1245 . 1 1 98 98 GLN HE21 H 1 6.857 0.030 . 2 . . . A 98 GLN HE21 . 25061 1 1246 . 1 1 98 98 GLN HE22 H 1 7.764 0.030 . 2 . . . A 98 GLN HE22 . 25061 1 1247 . 1 1 98 98 GLN C C 13 177.599 0.450 . 1 . . . A 98 GLN C . 25061 1 1248 . 1 1 98 98 GLN CA C 13 58.311 0.450 . 1 . . . A 98 GLN CA . 25061 1 1249 . 1 1 98 98 GLN CB C 13 27.766 0.450 . 1 . . . A 98 GLN CB . 25061 1 1250 . 1 1 98 98 GLN CG C 13 33.437 0.450 . 1 . . . A 98 GLN CG . 25061 1 1251 . 1 1 98 98 GLN N N 15 119.385 0.450 . 1 . . . A 98 GLN N . 25061 1 1252 . 1 1 98 98 GLN NE2 N 15 114.449 0.450 . 1 . . . A 98 GLN NE2 . 25061 1 1253 . 1 1 99 99 LEU H H 1 7.891 0.030 . 1 . . . A 99 LEU H . 25061 1 1254 . 1 1 99 99 LEU HA H 1 4.019 0.030 . 1 . . . A 99 LEU HA . 25061 1 1255 . 1 1 99 99 LEU HB2 H 1 1.848 0.030 . 2 . . . A 99 LEU HB2 . 25061 1 1256 . 1 1 99 99 LEU HB3 H 1 1.088 0.030 . 2 . . . A 99 LEU HB3 . 25061 1 1257 . 1 1 99 99 LEU HD11 H 1 0.750 0.030 . 2 . . . A 99 LEU HD11 . 25061 1 1258 . 1 1 99 99 LEU HD12 H 1 0.750 0.030 . 2 . . . A 99 LEU HD12 . 25061 1 1259 . 1 1 99 99 LEU HD13 H 1 0.750 0.030 . 2 . . . A 99 LEU HD13 . 25061 1 1260 . 1 1 99 99 LEU HD21 H 1 0.631 0.030 . 2 . . . A 99 LEU HD21 . 25061 1 1261 . 1 1 99 99 LEU HD22 H 1 0.631 0.030 . 2 . . . A 99 LEU HD22 . 25061 1 1262 . 1 1 99 99 LEU HD23 H 1 0.631 0.030 . 2 . . . A 99 LEU HD23 . 25061 1 1263 . 1 1 99 99 LEU C C 13 178.669 0.450 . 1 . . . A 99 LEU C . 25061 1 1264 . 1 1 99 99 LEU CA C 13 57.430 0.450 . 1 . . . A 99 LEU CA . 25061 1 1265 . 1 1 99 99 LEU CB C 13 41.503 0.450 . 1 . . . A 99 LEU CB . 25061 1 1266 . 1 1 99 99 LEU CD1 C 13 23.256 0.450 . 1 . . . A 99 LEU CD1 . 25061 1 1267 . 1 1 99 99 LEU CD2 C 13 25.972 0.450 . 1 . . . A 99 LEU CD2 . 25061 1 1268 . 1 1 99 99 LEU N N 15 118.348 0.450 . 1 . . . A 99 LEU N . 25061 1 1269 . 1 1 100 100 LYS H H 1 7.560 0.030 . 1 . . . A 100 LYS H . 25061 1 1270 . 1 1 100 100 LYS HA H 1 4.509 0.030 . 1 . . . A 100 LYS HA . 25061 1 1271 . 1 1 100 100 LYS HB2 H 1 1.977 0.030 . 2 . . . A 100 LYS HB2 . 25061 1 1272 . 1 1 100 100 LYS HB3 H 1 1.819 0.030 . 2 . . . A 100 LYS HB3 . 25061 1 1273 . 1 1 100 100 LYS HG2 H 1 1.650 0.030 . 2 . . . A 100 LYS HG2 . 25061 1 1274 . 1 1 100 100 LYS HG3 H 1 1.524 0.030 . 2 . . . A 100 LYS HG3 . 25061 1 1275 . 1 1 100 100 LYS HD2 H 1 1.754 0.030 . 1 . . . A 100 LYS HD2 . 25061 1 1276 . 1 1 100 100 LYS HD3 H 1 1.754 0.030 . 1 . . . A 100 LYS HD3 . 25061 1 1277 . 1 1 100 100 LYS HE2 H 1 2.983 0.030 . 1 . . . A 100 LYS HE2 . 25061 1 1278 . 1 1 100 100 LYS HE3 H 1 2.983 0.030 . 1 . . . A 100 LYS HE3 . 25061 1 1279 . 1 1 100 100 LYS C C 13 180.846 0.450 . 1 . . . A 100 LYS C . 25061 1 1280 . 1 1 100 100 LYS CA C 13 59.088 0.450 . 1 . . . A 100 LYS CA . 25061 1 1281 . 1 1 100 100 LYS CB C 13 32.269 0.450 . 1 . . . A 100 LYS CB . 25061 1 1282 . 1 1 100 100 LYS CG C 13 25.026 0.450 . 1 . . . A 100 LYS CG . 25061 1 1283 . 1 1 100 100 LYS CD C 13 29.531 0.450 . 1 . . . A 100 LYS CD . 25061 1 1284 . 1 1 100 100 LYS CE C 13 41.635 0.450 . 1 . . . A 100 LYS CE . 25061 1 1285 . 1 1 100 100 LYS N N 15 118.332 0.450 . 1 . . . A 100 LYS N . 25061 1 1286 . 1 1 101 101 LYS H H 1 7.959 0.030 . 1 . . . A 101 LYS H . 25061 1 1287 . 1 1 101 101 LYS HA H 1 4.072 0.030 . 1 . . . A 101 LYS HA . 25061 1 1288 . 1 1 101 101 LYS HB2 H 1 1.920 0.030 . 1 . . . A 101 LYS HB2 . 25061 1 1289 . 1 1 101 101 LYS HB3 H 1 1.920 0.030 . 1 . . . A 101 LYS HB3 . 25061 1 1290 . 1 1 101 101 LYS HG2 H 1 1.566 0.030 . 1 . . . A 101 LYS HG2 . 25061 1 1291 . 1 1 101 101 LYS HG3 H 1 1.566 0.030 . 1 . . . A 101 LYS HG3 . 25061 1 1292 . 1 1 101 101 LYS HD2 H 1 1.665 0.030 . 1 . . . A 101 LYS HD2 . 25061 1 1293 . 1 1 101 101 LYS HD3 H 1 1.665 0.030 . 1 . . . A 101 LYS HD3 . 25061 1 1294 . 1 1 101 101 LYS HE2 H 1 2.941 0.030 . 1 . . . A 101 LYS HE2 . 25061 1 1295 . 1 1 101 101 LYS HE3 H 1 2.941 0.030 . 1 . . . A 101 LYS HE3 . 25061 1 1296 . 1 1 101 101 LYS C C 13 177.707 0.450 . 1 . . . A 101 LYS C . 25061 1 1297 . 1 1 101 101 LYS CA C 13 58.871 0.450 . 1 . . . A 101 LYS CA . 25061 1 1298 . 1 1 101 101 LYS CB C 13 32.095 0.450 . 1 . . . A 101 LYS CB . 25061 1 1299 . 1 1 101 101 LYS CG C 13 25.078 0.450 . 1 . . . A 101 LYS CG . 25061 1 1300 . 1 1 101 101 LYS CD C 13 29.159 0.450 . 1 . . . A 101 LYS CD . 25061 1 1301 . 1 1 101 101 LYS CE C 13 41.809 0.450 . 1 . . . A 101 LYS CE . 25061 1 1302 . 1 1 101 101 LYS N N 15 121.944 0.450 . 1 . . . A 101 LYS N . 25061 1 1303 . 1 1 102 102 ASP H H 1 7.893 0.030 . 1 . . . A 102 ASP H . 25061 1 1304 . 1 1 102 102 ASP HA H 1 4.694 0.030 . 1 . . . A 102 ASP HA . 25061 1 1305 . 1 1 102 102 ASP HB2 H 1 2.757 0.030 . 1 . . . A 102 ASP HB2 . 25061 1 1306 . 1 1 102 102 ASP HB3 H 1 2.930 0.030 . 1 . . . A 102 ASP HB3 . 25061 1 1307 . 1 1 102 102 ASP C C 13 176.359 0.450 . 1 . . . A 102 ASP C . 25061 1 1308 . 1 1 102 102 ASP CA C 13 54.579 0.450 . 1 . . . A 102 ASP CA . 25061 1 1309 . 1 1 102 102 ASP CB C 13 40.574 0.450 . 1 . . . A 102 ASP CB . 25061 1 1310 . 1 1 102 102 ASP N N 15 118.788 0.450 . 1 . . . A 102 ASP N . 25061 1 1311 . 1 1 103 103 GLY H H 1 7.866 0.030 . 1 . . . A 103 GLY H . 25061 1 1312 . 1 1 103 103 GLY HA2 H 1 4.268 0.030 . 2 . . . A 103 GLY HA2 . 25061 1 1313 . 1 1 103 103 GLY HA3 H 1 3.721 0.030 . 2 . . . A 103 GLY HA3 . 25061 1 1314 . 1 1 103 103 GLY C C 13 174.328 0.450 . 1 . . . A 103 GLY C . 25061 1 1315 . 1 1 103 103 GLY CA C 13 45.345 0.450 . 1 . . . A 103 GLY CA . 25061 1 1316 . 1 1 103 103 GLY N N 15 107.024 0.450 . 1 . . . A 103 GLY N . 25061 1 1317 . 1 1 104 104 VAL H H 1 7.955 0.030 . 1 . . . A 104 VAL H . 25061 1 1318 . 1 1 104 104 VAL HA H 1 3.973 0.030 . 1 . . . A 104 VAL HA . 25061 1 1319 . 1 1 104 104 VAL HB H 1 1.687 0.030 . 1 . . . A 104 VAL HB . 25061 1 1320 . 1 1 104 104 VAL HG11 H 1 0.744 0.030 . 2 . . . A 104 VAL HG11 . 25061 1 1321 . 1 1 104 104 VAL HG12 H 1 0.744 0.030 . 2 . . . A 104 VAL HG12 . 25061 1 1322 . 1 1 104 104 VAL HG13 H 1 0.744 0.030 . 2 . . . A 104 VAL HG13 . 25061 1 1323 . 1 1 104 104 VAL HG21 H 1 0.822 0.030 . 2 . . . A 104 VAL HG21 . 25061 1 1324 . 1 1 104 104 VAL HG22 H 1 0.822 0.030 . 2 . . . A 104 VAL HG22 . 25061 1 1325 . 1 1 104 104 VAL HG23 H 1 0.822 0.030 . 2 . . . A 104 VAL HG23 . 25061 1 1326 . 1 1 104 104 VAL C C 13 175.023 0.450 . 1 . . . A 104 VAL C . 25061 1 1327 . 1 1 104 104 VAL CA C 13 61.878 0.450 . 1 . . . A 104 VAL CA . 25061 1 1328 . 1 1 104 104 VAL CB C 13 32.088 0.450 . 1 . . . A 104 VAL CB . 25061 1 1329 . 1 1 104 104 VAL CG1 C 13 21.103 0.450 . 1 . . . A 104 VAL CG1 . 25061 1 1330 . 1 1 104 104 VAL CG2 C 13 22.270 0.450 . 1 . . . A 104 VAL CG2 . 25061 1 1331 . 1 1 104 104 VAL N N 15 123.060 0.450 . 1 . . . A 104 VAL N . 25061 1 1332 . 1 1 105 105 ASP H H 1 8.399 0.030 . 1 . . . A 105 ASP H . 25061 1 1333 . 1 1 105 105 ASP HA H 1 4.575 0.030 . 1 . . . A 105 ASP HA . 25061 1 1334 . 1 1 105 105 ASP HB2 H 1 3.091 0.030 . 2 . . . A 105 ASP HB2 . 25061 1 1335 . 1 1 105 105 ASP HB3 H 1 2.608 0.030 . 2 . . . A 105 ASP HB3 . 25061 1 1336 . 1 1 105 105 ASP C C 13 173.624 0.450 . 1 . . . A 105 ASP C . 25061 1 1337 . 1 1 105 105 ASP CA C 13 54.087 0.450 . 1 . . . A 105 ASP CA . 25061 1 1338 . 1 1 105 105 ASP CB C 13 40.660 0.450 . 1 . . . A 105 ASP CB . 25061 1 1339 . 1 1 105 105 ASP N N 15 127.987 0.450 . 1 . . . A 105 ASP N . 25061 1 1340 . 1 1 106 106 VAL H H 1 7.550 0.030 . 1 . . . A 106 VAL H . 25061 1 1341 . 1 1 106 106 VAL HA H 1 4.815 0.030 . 1 . . . A 106 VAL HA . 25061 1 1342 . 1 1 106 106 VAL HB H 1 1.820 0.030 . 1 . . . A 106 VAL HB . 25061 1 1343 . 1 1 106 106 VAL HG11 H 1 0.805 0.030 . 2 . . . A 106 VAL HG11 . 25061 1 1344 . 1 1 106 106 VAL HG12 H 1 0.805 0.030 . 2 . . . A 106 VAL HG12 . 25061 1 1345 . 1 1 106 106 VAL HG13 H 1 0.805 0.030 . 2 . . . A 106 VAL HG13 . 25061 1 1346 . 1 1 106 106 VAL HG21 H 1 0.910 0.030 . 2 . . . A 106 VAL HG21 . 25061 1 1347 . 1 1 106 106 VAL HG22 H 1 0.910 0.030 . 2 . . . A 106 VAL HG22 . 25061 1 1348 . 1 1 106 106 VAL HG23 H 1 0.910 0.030 . 2 . . . A 106 VAL HG23 . 25061 1 1349 . 1 1 106 106 VAL C C 13 174.902 0.450 . 1 . . . A 106 VAL C . 25061 1 1350 . 1 1 106 106 VAL CA C 13 60.194 0.450 . 1 . . . A 106 VAL CA . 25061 1 1351 . 1 1 106 106 VAL CB C 13 34.179 0.450 . 1 . . . A 106 VAL CB . 25061 1 1352 . 1 1 106 106 VAL CG1 C 13 20.855 0.450 . 1 . . . A 106 VAL CG1 . 25061 1 1353 . 1 1 106 106 VAL CG2 C 13 21.272 0.450 . 1 . . . A 106 VAL CG2 . 25061 1 1354 . 1 1 106 106 VAL N N 15 125.798 0.450 . 1 . . . A 106 VAL N . 25061 1 1355 . 1 1 107 107 ARG H H 1 9.132 0.030 . 1 . . . A 107 ARG H . 25061 1 1356 . 1 1 107 107 ARG HA H 1 4.876 0.030 . 1 . . . A 107 ARG HA . 25061 1 1357 . 1 1 107 107 ARG HB2 H 1 1.749 0.030 . 1 . . . A 107 ARG HB2 . 25061 1 1358 . 1 1 107 107 ARG HB3 H 1 1.749 0.030 . 1 . . . A 107 ARG HB3 . 25061 1 1359 . 1 1 107 107 ARG HG2 H 1 1.509 0.030 . 2 . . . A 107 ARG HG2 . 25061 1 1360 . 1 1 107 107 ARG HG3 H 1 1.468 0.030 . 2 . . . A 107 ARG HG3 . 25061 1 1361 . 1 1 107 107 ARG HD2 H 1 3.179 0.030 . 2 . . . A 107 ARG HD2 . 25061 1 1362 . 1 1 107 107 ARG HD3 H 1 2.990 0.030 . 2 . . . A 107 ARG HD3 . 25061 1 1363 . 1 1 107 107 ARG C C 13 173.815 0.450 . 1 . . . A 107 ARG C . 25061 1 1364 . 1 1 107 107 ARG CA C 13 53.386 0.450 . 1 . . . A 107 ARG CA . 25061 1 1365 . 1 1 107 107 ARG CB C 13 31.195 0.450 . 1 . . . A 107 ARG CB . 25061 1 1366 . 1 1 107 107 ARG CG C 13 26.616 0.450 . 1 . . . A 107 ARG CG . 25061 1 1367 . 1 1 107 107 ARG CD C 13 42.561 0.450 . 1 . . . A 107 ARG CD . 25061 1 1368 . 1 1 107 107 ARG N N 15 128.099 0.450 . 1 . . . A 107 ARG N . 25061 1 1369 . 1 1 108 108 VAL H H 1 8.561 0.030 . 1 . . . A 108 VAL H . 25061 1 1370 . 1 1 108 108 VAL HA H 1 4.942 0.030 . 1 . . . A 108 VAL HA . 25061 1 1371 . 1 1 108 108 VAL HB H 1 1.889 0.030 . 1 . . . A 108 VAL HB . 25061 1 1372 . 1 1 108 108 VAL HG11 H 1 0.632 0.030 . 2 . . . A 108 VAL HG11 . 25061 1 1373 . 1 1 108 108 VAL HG12 H 1 0.632 0.030 . 2 . . . A 108 VAL HG12 . 25061 1 1374 . 1 1 108 108 VAL HG13 H 1 0.632 0.030 . 2 . . . A 108 VAL HG13 . 25061 1 1375 . 1 1 108 108 VAL HG21 H 1 0.686 0.030 . 2 . . . A 108 VAL HG21 . 25061 1 1376 . 1 1 108 108 VAL HG22 H 1 0.686 0.030 . 2 . . . A 108 VAL HG22 . 25061 1 1377 . 1 1 108 108 VAL HG23 H 1 0.686 0.030 . 2 . . . A 108 VAL HG23 . 25061 1 1378 . 1 1 108 108 VAL C C 13 175.854 0.450 . 1 . . . A 108 VAL C . 25061 1 1379 . 1 1 108 108 VAL CA C 13 60.017 0.450 . 1 . . . A 108 VAL CA . 25061 1 1380 . 1 1 108 108 VAL CB C 13 32.844 0.450 . 1 . . . A 108 VAL CB . 25061 1 1381 . 1 1 108 108 VAL CG1 C 13 20.683 0.450 . 1 . . . A 108 VAL CG1 . 25061 1 1382 . 1 1 108 108 VAL CG2 C 13 20.585 0.450 . 1 . . . A 108 VAL CG2 . 25061 1 1383 . 1 1 108 108 VAL N N 15 123.979 0.450 . 1 . . . A 108 VAL N . 25061 1 1384 . 1 1 109 109 THR H H 1 8.803 0.030 . 1 . . . A 109 THR H . 25061 1 1385 . 1 1 109 109 THR HA H 1 4.815 0.030 . 1 . . . A 109 THR HA . 25061 1 1386 . 1 1 109 109 THR HB H 1 4.135 0.030 . 1 . . . A 109 THR HB . 25061 1 1387 . 1 1 109 109 THR HG21 H 1 0.978 0.030 . 1 . . . A 109 THR HG21 . 25061 1 1388 . 1 1 109 109 THR HG22 H 1 0.978 0.030 . 1 . . . A 109 THR HG22 . 25061 1 1389 . 1 1 109 109 THR HG23 H 1 0.978 0.030 . 1 . . . A 109 THR HG23 . 25061 1 1390 . 1 1 109 109 THR C C 13 171.867 0.450 . 1 . . . A 109 THR C . 25061 1 1391 . 1 1 109 109 THR CA C 13 59.613 0.450 . 1 . . . A 109 THR CA . 25061 1 1392 . 1 1 109 109 THR CB C 13 69.720 0.450 . 1 . . . A 109 THR CB . 25061 1 1393 . 1 1 109 109 THR CG2 C 13 19.644 0.450 . 1 . . . A 109 THR CG2 . 25061 1 1394 . 1 1 109 109 THR N N 15 120.144 0.450 . 1 . . . A 109 THR N . 25061 1 1395 . 1 1 110 110 ASP H H 1 8.363 0.030 . 1 . . . A 110 ASP H . 25061 1 1396 . 1 1 110 110 ASP HA H 1 4.969 0.030 . 1 . . . A 110 ASP HA . 25061 1 1397 . 1 1 110 110 ASP HB2 H 1 2.922 0.030 . 2 . . . A 110 ASP HB2 . 25061 1 1398 . 1 1 110 110 ASP HB3 H 1 2.540 0.030 . 2 . . . A 110 ASP HB3 . 25061 1 1399 . 1 1 110 110 ASP C C 13 175.739 0.450 . 1 . . . A 110 ASP C . 25061 1 1400 . 1 1 110 110 ASP CA C 13 53.243 0.450 . 1 . . . A 110 ASP CA . 25061 1 1401 . 1 1 110 110 ASP CB C 13 41.351 0.450 . 1 . . . A 110 ASP CB . 25061 1 1402 . 1 1 110 110 ASP N N 15 123.212 0.450 . 1 . . . A 110 ASP N . 25061 1 1403 . 1 1 111 111 ASN H H 1 8.085 0.030 . 1 . . . A 111 ASN H . 25061 1 1404 . 1 1 111 111 ASN HA H 1 4.876 0.030 . 1 . . . A 111 ASN HA . 25061 1 1405 . 1 1 111 111 ASN HB2 H 1 2.980 0.030 . 2 . . . A 111 ASN HB2 . 25061 1 1406 . 1 1 111 111 ASN HB3 H 1 2.823 0.030 . 2 . . . A 111 ASN HB3 . 25061 1 1407 . 1 1 111 111 ASN HD21 H 1 7.148 0.030 . 2 . . . A 111 ASN HD21 . 25061 1 1408 . 1 1 111 111 ASN HD22 H 1 7.829 0.030 . 2 . . . A 111 ASN HD22 . 25061 1 1409 . 1 1 111 111 ASN C C 13 174.756 0.450 . 1 . . . A 111 ASN C . 25061 1 1410 . 1 1 111 111 ASN CA C 13 52.132 0.450 . 1 . . . A 111 ASN CA . 25061 1 1411 . 1 1 111 111 ASN CB C 13 40.765 0.450 . 1 . . . A 111 ASN CB . 25061 1 1412 . 1 1 111 111 ASN N N 15 116.298 0.450 . 1 . . . A 111 ASN N . 25061 1 1413 . 1 1 111 111 ASN ND2 N 15 114.676 0.450 . 1 . . . A 111 ASN ND2 . 25061 1 1414 . 1 1 112 112 GLU HA H 1 3.848 0.030 . 1 . . . A 112 GLU HA . 25061 1 1415 . 1 1 112 112 GLU HB2 H 1 2.040 0.030 . 2 . . . A 112 GLU HB2 . 25061 1 1416 . 1 1 112 112 GLU HB3 H 1 2.020 0.030 . 2 . . . A 112 GLU HB3 . 25061 1 1417 . 1 1 112 112 GLU HG2 H 1 2.370 0.030 . 2 . . . A 112 GLU HG2 . 25061 1 1418 . 1 1 112 112 GLU HG3 H 1 2.294 0.030 . 2 . . . A 112 GLU HG3 . 25061 1 1419 . 1 1 112 112 GLU C C 13 177.016 0.450 . 1 . . . A 112 GLU C . 25061 1 1420 . 1 1 112 112 GLU CA C 13 59.480 0.450 . 1 . . . A 112 GLU CA . 25061 1 1421 . 1 1 112 112 GLU CB C 13 29.674 0.450 . 1 . . . A 112 GLU CB . 25061 1 1422 . 1 1 112 112 GLU CG C 13 36.025 0.450 . 1 . . . A 112 GLU CG . 25061 1 1423 . 1 1 113 113 ASP H H 1 8.219 0.030 . 1 . . . A 113 ASP H . 25061 1 1424 . 1 1 113 113 ASP HA H 1 4.413 0.030 . 1 . . . A 113 ASP HA . 25061 1 1425 . 1 1 113 113 ASP HB2 H 1 2.806 0.030 . 2 . . . A 113 ASP HB2 . 25061 1 1426 . 1 1 113 113 ASP HB3 H 1 2.644 0.030 . 2 . . . A 113 ASP HB3 . 25061 1 1427 . 1 1 113 113 ASP C C 13 178.988 0.450 . 1 . . . A 113 ASP C . 25061 1 1428 . 1 1 113 113 ASP CA C 13 57.855 0.450 . 1 . . . A 113 ASP CA . 25061 1 1429 . 1 1 113 113 ASP CB C 13 40.502 0.450 . 1 . . . A 113 ASP CB . 25061 1 1430 . 1 1 113 113 ASP N N 15 121.033 0.450 . 1 . . . A 113 ASP N . 25061 1 1431 . 1 1 114 114 GLU H H 1 8.296 0.030 . 1 . . . A 114 GLU H . 25061 1 1432 . 1 1 114 114 GLU HA H 1 4.065 0.030 . 1 . . . A 114 GLU HA . 25061 1 1433 . 1 1 114 114 GLU HB2 H 1 2.162 0.030 . 1 . . . A 114 GLU HB2 . 25061 1 1434 . 1 1 114 114 GLU HB3 H 1 2.162 0.030 . 1 . . . A 114 GLU HB3 . 25061 1 1435 . 1 1 114 114 GLU HG2 H 1 2.233 0.030 . 1 . . . A 114 GLU HG2 . 25061 1 1436 . 1 1 114 114 GLU HG3 H 1 2.233 0.030 . 1 . . . A 114 GLU HG3 . 25061 1 1437 . 1 1 114 114 GLU C C 13 178.776 0.450 . 1 . . . A 114 GLU C . 25061 1 1438 . 1 1 114 114 GLU CA C 13 58.714 0.450 . 1 . . . A 114 GLU CA . 25061 1 1439 . 1 1 114 114 GLU CB C 13 29.213 0.450 . 1 . . . A 114 GLU CB . 25061 1 1440 . 1 1 114 114 GLU CG C 13 36.154 0.450 . 1 . . . A 114 GLU CG . 25061 1 1441 . 1 1 114 114 GLU N N 15 121.280 0.450 . 1 . . . A 114 GLU N . 25061 1 1442 . 1 1 115 115 ALA H H 1 7.853 0.030 . 1 . . . A 115 ALA H . 25061 1 1443 . 1 1 115 115 ALA HA H 1 3.838 0.030 . 1 . . . A 115 ALA HA . 25061 1 1444 . 1 1 115 115 ALA HB1 H 1 1.392 0.030 . 1 . . . A 115 ALA HB1 . 25061 1 1445 . 1 1 115 115 ALA HB2 H 1 1.392 0.030 . 1 . . . A 115 ALA HB2 . 25061 1 1446 . 1 1 115 115 ALA HB3 H 1 1.392 0.030 . 1 . . . A 115 ALA HB3 . 25061 1 1447 . 1 1 115 115 ALA C C 13 178.502 0.450 . 1 . . . A 115 ALA C . 25061 1 1448 . 1 1 115 115 ALA CA C 13 55.638 0.450 . 1 . . . A 115 ALA CA . 25061 1 1449 . 1 1 115 115 ALA CB C 13 18.497 0.450 . 1 . . . A 115 ALA CB . 25061 1 1450 . 1 1 115 115 ALA N N 15 120.924 0.450 . 1 . . . A 115 ALA N . 25061 1 1451 . 1 1 116 116 LYS H H 1 8.091 0.030 . 1 . . . A 116 LYS H . 25061 1 1452 . 1 1 116 116 LYS HA H 1 3.719 0.030 . 1 . . . A 116 LYS HA . 25061 1 1453 . 1 1 116 116 LYS HB2 H 1 2.032 0.030 . 1 . . . A 116 LYS HB2 . 25061 1 1454 . 1 1 116 116 LYS HB3 H 1 2.032 0.030 . 1 . . . A 116 LYS HB3 . 25061 1 1455 . 1 1 116 116 LYS HG2 H 1 1.221 0.030 . 1 . . . A 116 LYS HG2 . 25061 1 1456 . 1 1 116 116 LYS HG3 H 1 1.221 0.030 . 1 . . . A 116 LYS HG3 . 25061 1 1457 . 1 1 116 116 LYS HD2 H 1 1.718 0.030 . 1 . . . A 116 LYS HD2 . 25061 1 1458 . 1 1 116 116 LYS HD3 H 1 1.718 0.030 . 1 . . . A 116 LYS HD3 . 25061 1 1459 . 1 1 116 116 LYS HE2 H 1 2.842 0.030 . 2 . . . A 116 LYS HE2 . 25061 1 1460 . 1 1 116 116 LYS HE3 H 1 2.766 0.030 . 2 . . . A 116 LYS HE3 . 25061 1 1461 . 1 1 116 116 LYS C C 13 178.097 0.450 . 1 . . . A 116 LYS C . 25061 1 1462 . 1 1 116 116 LYS CA C 13 60.752 0.450 . 1 . . . A 116 LYS CA . 25061 1 1463 . 1 1 116 116 LYS CB C 13 32.555 0.450 . 1 . . . A 116 LYS CB . 25061 1 1464 . 1 1 116 116 LYS CG C 13 26.869 0.450 . 1 . . . A 116 LYS CG . 25061 1 1465 . 1 1 116 116 LYS CD C 13 29.486 0.450 . 1 . . . A 116 LYS CD . 25061 1 1466 . 1 1 116 116 LYS CE C 13 41.995 0.450 . 1 . . . A 116 LYS CE . 25061 1 1467 . 1 1 116 116 LYS N N 15 116.616 0.450 . 1 . . . A 116 LYS N . 25061 1 1468 . 1 1 117 117 LYS H H 1 7.742 0.030 . 1 . . . A 117 LYS H . 25061 1 1469 . 1 1 117 117 LYS HA H 1 3.911 0.030 . 1 . . . A 117 LYS HA . 25061 1 1470 . 1 1 117 117 LYS HB2 H 1 1.912 0.030 . 1 . . . A 117 LYS HB2 . 25061 1 1471 . 1 1 117 117 LYS HB3 H 1 1.912 0.030 . 1 . . . A 117 LYS HB3 . 25061 1 1472 . 1 1 117 117 LYS HG2 H 1 1.327 0.030 . 1 . . . A 117 LYS HG2 . 25061 1 1473 . 1 1 117 117 LYS HG3 H 1 1.327 0.030 . 1 . . . A 117 LYS HG3 . 25061 1 1474 . 1 1 117 117 LYS HD2 H 1 1.665 0.030 . 1 . . . A 117 LYS HD2 . 25061 1 1475 . 1 1 117 117 LYS HD3 H 1 1.665 0.030 . 1 . . . A 117 LYS HD3 . 25061 1 1476 . 1 1 117 117 LYS HE2 H 1 2.933 0.030 . 1 . . . A 117 LYS HE2 . 25061 1 1477 . 1 1 117 117 LYS HE3 H 1 2.933 0.030 . 1 . . . A 117 LYS HE3 . 25061 1 1478 . 1 1 117 117 LYS C C 13 179.186 0.450 . 1 . . . A 117 LYS C . 25061 1 1479 . 1 1 117 117 LYS CA C 13 59.571 0.450 . 1 . . . A 117 LYS CA . 25061 1 1480 . 1 1 117 117 LYS CB C 13 32.520 0.450 . 1 . . . A 117 LYS CB . 25061 1 1481 . 1 1 117 117 LYS CG C 13 25.171 0.450 . 1 . . . A 117 LYS CG . 25061 1 1482 . 1 1 117 117 LYS CD C 13 29.237 0.450 . 1 . . . A 117 LYS CD . 25061 1 1483 . 1 1 117 117 LYS CE C 13 41.926 0.450 . 1 . . . A 117 LYS CE . 25061 1 1484 . 1 1 117 117 LYS N N 15 118.990 0.450 . 1 . . . A 117 LYS N . 25061 1 1485 . 1 1 118 118 ARG H H 1 8.468 0.030 . 1 . . . A 118 ARG H . 25061 1 1486 . 1 1 118 118 ARG HA H 1 4.140 0.030 . 1 . . . A 118 ARG HA . 25061 1 1487 . 1 1 118 118 ARG HB2 H 1 1.953 0.030 . 2 . . . A 118 ARG HB2 . 25061 1 1488 . 1 1 118 118 ARG HB3 H 1 1.775 0.030 . 2 . . . A 118 ARG HB3 . 25061 1 1489 . 1 1 118 118 ARG HG2 H 1 1.841 0.030 . 2 . . . A 118 ARG HG2 . 25061 1 1490 . 1 1 118 118 ARG HG3 H 1 1.619 0.030 . 2 . . . A 118 ARG HG3 . 25061 1 1491 . 1 1 118 118 ARG HD2 H 1 3.147 0.030 . 1 . . . A 118 ARG HD2 . 25061 1 1492 . 1 1 118 118 ARG HD3 H 1 3.147 0.030 . 1 . . . A 118 ARG HD3 . 25061 1 1493 . 1 1 118 118 ARG C C 13 178.921 0.450 . 1 . . . A 118 ARG C . 25061 1 1494 . 1 1 118 118 ARG CA C 13 57.671 0.450 . 1 . . . A 118 ARG CA . 25061 1 1495 . 1 1 118 118 ARG CB C 13 29.661 0.450 . 1 . . . A 118 ARG CB . 25061 1 1496 . 1 1 118 118 ARG CG C 13 26.692 0.450 . 1 . . . A 118 ARG CG . 25061 1 1497 . 1 1 118 118 ARG CD C 13 42.596 0.450 . 1 . . . A 118 ARG CD . 25061 1 1498 . 1 1 118 118 ARG N N 15 117.441 0.450 . 1 . . . A 118 ARG N . 25061 1 1499 . 1 1 119 119 LEU H H 1 8.322 0.030 . 1 . . . A 119 LEU H . 25061 1 1500 . 1 1 119 119 LEU HA H 1 3.960 0.030 . 1 . . . A 119 LEU HA . 25061 1 1501 . 1 1 119 119 LEU HB2 H 1 1.646 0.030 . 2 . . . A 119 LEU HB2 . 25061 1 1502 . 1 1 119 119 LEU HB3 H 1 1.624 0.030 . 2 . . . A 119 LEU HB3 . 25061 1 1503 . 1 1 119 119 LEU HG H 1 1.583 0.030 . 1 . . . A 119 LEU HG . 25061 1 1504 . 1 1 119 119 LEU HD11 H 1 0.927 0.030 . 2 . . . A 119 LEU HD11 . 25061 1 1505 . 1 1 119 119 LEU HD12 H 1 0.927 0.030 . 2 . . . A 119 LEU HD12 . 25061 1 1506 . 1 1 119 119 LEU HD13 H 1 0.927 0.030 . 2 . . . A 119 LEU HD13 . 25061 1 1507 . 1 1 119 119 LEU HD21 H 1 0.806 0.030 . 2 . . . A 119 LEU HD21 . 25061 1 1508 . 1 1 119 119 LEU HD22 H 1 0.806 0.030 . 2 . . . A 119 LEU HD22 . 25061 1 1509 . 1 1 119 119 LEU HD23 H 1 0.806 0.030 . 2 . . . A 119 LEU HD23 . 25061 1 1510 . 1 1 119 119 LEU C C 13 177.554 0.450 . 1 . . . A 119 LEU C . 25061 1 1511 . 1 1 119 119 LEU CA C 13 57.881 0.450 . 1 . . . A 119 LEU CA . 25061 1 1512 . 1 1 119 119 LEU CB C 13 41.889 0.450 . 1 . . . A 119 LEU CB . 25061 1 1513 . 1 1 119 119 LEU CG C 13 26.936 0.450 . 1 . . . A 119 LEU CG . 25061 1 1514 . 1 1 119 119 LEU CD1 C 13 24.660 0.450 . 1 . . . A 119 LEU CD1 . 25061 1 1515 . 1 1 119 119 LEU CD2 C 13 24.113 0.450 . 1 . . . A 119 LEU CD2 . 25061 1 1516 . 1 1 119 119 LEU N N 15 120.100 0.450 . 1 . . . A 119 LEU N . 25061 1 1517 . 1 1 120 120 LYS H H 1 7.990 0.030 . 1 . . . A 120 LYS H . 25061 1 1518 . 1 1 120 120 LYS HA H 1 3.822 0.030 . 1 . . . A 120 LYS HA . 25061 1 1519 . 1 1 120 120 LYS HB2 H 1 1.902 0.030 . 2 . . . A 120 LYS HB2 . 25061 1 1520 . 1 1 120 120 LYS HB3 H 1 1.814 0.030 . 2 . . . A 120 LYS HB3 . 25061 1 1521 . 1 1 120 120 LYS HG2 H 1 1.578 0.030 . 2 . . . A 120 LYS HG2 . 25061 1 1522 . 1 1 120 120 LYS HG3 H 1 1.325 0.030 . 2 . . . A 120 LYS HG3 . 25061 1 1523 . 1 1 120 120 LYS HD2 H 1 1.659 0.030 . 1 . . . A 120 LYS HD2 . 25061 1 1524 . 1 1 120 120 LYS HD3 H 1 1.659 0.030 . 1 . . . A 120 LYS HD3 . 25061 1 1525 . 1 1 120 120 LYS HE2 H 1 2.941 0.030 . 2 . . . A 120 LYS HE2 . 25061 1 1526 . 1 1 120 120 LYS HE3 H 1 2.455 0.030 . 2 . . . A 120 LYS HE3 . 25061 1 1527 . 1 1 120 120 LYS C C 13 178.703 0.450 . 1 . . . A 120 LYS C . 25061 1 1528 . 1 1 120 120 LYS CA C 13 60.346 0.450 . 1 . . . A 120 LYS CA . 25061 1 1529 . 1 1 120 120 LYS CB C 13 32.236 0.450 . 1 . . . A 120 LYS CB . 25061 1 1530 . 1 1 120 120 LYS CG C 13 25.123 0.450 . 1 . . . A 120 LYS CG . 25061 1 1531 . 1 1 120 120 LYS CD C 13 29.197 0.450 . 1 . . . A 120 LYS CD . 25061 1 1532 . 1 1 120 120 LYS CE C 13 41.763 0.450 . 1 . . . A 120 LYS CE . 25061 1 1533 . 1 1 120 120 LYS N N 15 118.238 0.450 . 1 . . . A 120 LYS N . 25061 1 1534 . 1 1 121 121 GLU HA H 1 4.022 0.030 . 1 . . . A 121 GLU HA . 25061 1 1535 . 1 1 121 121 GLU HB2 H 1 2.153 0.030 . 2 . . . A 121 GLU HB2 . 25061 1 1536 . 1 1 121 121 GLU HB3 H 1 2.033 0.030 . 2 . . . A 121 GLU HB3 . 25061 1 1537 . 1 1 121 121 GLU C C 13 177.769 0.450 . 1 . . . A 121 GLU C . 25061 1 1538 . 1 1 121 121 GLU CA C 13 58.922 0.450 . 1 . . . A 121 GLU CA . 25061 1 1539 . 1 1 121 121 GLU CB C 13 29.454 0.450 . 1 . . . A 121 GLU CB . 25061 1 1540 . 1 1 122 122 LEU H H 1 7.930 0.030 . 1 . . . A 122 LEU H . 25061 1 1541 . 1 1 122 122 LEU HA H 1 4.133 0.030 . 1 . . . A 122 LEU HA . 25061 1 1542 . 1 1 122 122 LEU HB2 H 1 1.842 0.030 . 2 . . . A 122 LEU HB2 . 25061 1 1543 . 1 1 122 122 LEU HB3 H 1 1.607 0.030 . 2 . . . A 122 LEU HB3 . 25061 1 1544 . 1 1 122 122 LEU HG H 1 1.794 0.030 . 1 . . . A 122 LEU HG . 25061 1 1545 . 1 1 122 122 LEU HD11 H 1 0.794 0.030 . 2 . . . A 122 LEU HD11 . 25061 1 1546 . 1 1 122 122 LEU HD12 H 1 0.794 0.030 . 2 . . . A 122 LEU HD12 . 25061 1 1547 . 1 1 122 122 LEU HD13 H 1 0.794 0.030 . 2 . . . A 122 LEU HD13 . 25061 1 1548 . 1 1 122 122 LEU HD21 H 1 0.792 0.030 . 2 . . . A 122 LEU HD21 . 25061 1 1549 . 1 1 122 122 LEU HD22 H 1 0.792 0.030 . 2 . . . A 122 LEU HD22 . 25061 1 1550 . 1 1 122 122 LEU HD23 H 1 0.792 0.030 . 2 . . . A 122 LEU HD23 . 25061 1 1551 . 1 1 122 122 LEU C C 13 178.991 0.450 . 1 . . . A 122 LEU C . 25061 1 1552 . 1 1 122 122 LEU CA C 13 57.326 0.450 . 1 . . . A 122 LEU CA . 25061 1 1553 . 1 1 122 122 LEU CB C 13 41.679 0.450 . 1 . . . A 122 LEU CB . 25061 1 1554 . 1 1 122 122 LEU CG C 13 26.700 0.450 . 1 . . . A 122 LEU CG . 25061 1 1555 . 1 1 122 122 LEU CD1 C 13 24.328 0.450 . 1 . . . A 122 LEU CD1 . 25061 1 1556 . 1 1 122 122 LEU CD2 C 13 24.867 0.450 . 1 . . . A 122 LEU CD2 . 25061 1 1557 . 1 1 122 122 LEU N N 15 119.454 0.450 . 1 . . . A 122 LEU N . 25061 1 1558 . 1 1 123 123 LEU H H 1 8.095 0.030 . 1 . . . A 123 LEU H . 25061 1 1559 . 1 1 123 123 LEU HA H 1 4.067 0.030 . 1 . . . A 123 LEU HA . 25061 1 1560 . 1 1 123 123 LEU HB2 H 1 1.937 0.030 . 2 . . . A 123 LEU HB2 . 25061 1 1561 . 1 1 123 123 LEU HB3 H 1 1.520 0.030 . 2 . . . A 123 LEU HB3 . 25061 1 1562 . 1 1 123 123 LEU HG H 1 1.946 0.030 . 1 . . . A 123 LEU HG . 25061 1 1563 . 1 1 123 123 LEU HD11 H 1 0.921 0.030 . 2 . . . A 123 LEU HD11 . 25061 1 1564 . 1 1 123 123 LEU HD12 H 1 0.921 0.030 . 2 . . . A 123 LEU HD12 . 25061 1 1565 . 1 1 123 123 LEU HD13 H 1 0.921 0.030 . 2 . . . A 123 LEU HD13 . 25061 1 1566 . 1 1 123 123 LEU HD21 H 1 0.782 0.030 . 2 . . . A 123 LEU HD21 . 25061 1 1567 . 1 1 123 123 LEU HD22 H 1 0.782 0.030 . 2 . . . A 123 LEU HD22 . 25061 1 1568 . 1 1 123 123 LEU HD23 H 1 0.782 0.030 . 2 . . . A 123 LEU HD23 . 25061 1 1569 . 1 1 123 123 LEU C C 13 179.178 0.450 . 1 . . . A 123 LEU C . 25061 1 1570 . 1 1 123 123 LEU CA C 13 56.920 0.450 . 1 . . . A 123 LEU CA . 25061 1 1571 . 1 1 123 123 LEU CB C 13 41.210 0.450 . 1 . . . A 123 LEU CB . 25061 1 1572 . 1 1 123 123 LEU CG C 13 26.767 0.450 . 1 . . . A 123 LEU CG . 25061 1 1573 . 1 1 123 123 LEU CD1 C 13 26.786 0.450 . 1 . . . A 123 LEU CD1 . 25061 1 1574 . 1 1 123 123 LEU CD2 C 13 22.309 0.450 . 1 . . . A 123 LEU CD2 . 25061 1 1575 . 1 1 123 123 LEU N N 15 117.862 0.450 . 1 . . . A 123 LEU N . 25061 1 1576 . 1 1 124 124 GLU H H 1 7.930 0.030 . 1 . . . A 124 GLU H . 25061 1 1577 . 1 1 124 124 GLU HA H 1 4.129 0.030 . 1 . . . A 124 GLU HA . 25061 1 1578 . 1 1 124 124 GLU HB2 H 1 2.147 0.030 . 1 . . . A 124 GLU HB2 . 25061 1 1579 . 1 1 124 124 GLU HB3 H 1 2.147 0.030 . 1 . . . A 124 GLU HB3 . 25061 1 1580 . 1 1 124 124 GLU HG2 H 1 2.467 0.030 . 1 . . . A 124 GLU HG2 . 25061 1 1581 . 1 1 124 124 GLU HG3 H 1 2.467 0.030 . 1 . . . A 124 GLU HG3 . 25061 1 1582 . 1 1 124 124 GLU C C 13 177.777 0.450 . 1 . . . A 124 GLU C . 25061 1 1583 . 1 1 124 124 GLU CA C 13 58.087 0.450 . 1 . . . A 124 GLU CA . 25061 1 1584 . 1 1 124 124 GLU CB C 13 29.540 0.450 . 1 . . . A 124 GLU CB . 25061 1 1585 . 1 1 124 124 GLU CG C 13 36.411 0.450 . 1 . . . A 124 GLU CG . 25061 1 1586 . 1 1 124 124 GLU N N 15 118.975 0.450 . 1 . . . A 124 GLU N . 25061 1 1587 . 1 1 125 125 LYS H H 1 7.729 0.030 . 1 . . . A 125 LYS H . 25061 1 1588 . 1 1 125 125 LYS HA H 1 4.337 0.030 . 1 . . . A 125 LYS HA . 25061 1 1589 . 1 1 125 125 LYS HB2 H 1 1.917 0.030 . 1 . . . A 125 LYS HB2 . 25061 1 1590 . 1 1 125 125 LYS HB3 H 1 1.917 0.030 . 1 . . . A 125 LYS HB3 . 25061 1 1591 . 1 1 125 125 LYS HG2 H 1 1.530 0.030 . 2 . . . A 125 LYS HG2 . 25061 1 1592 . 1 1 125 125 LYS HG3 H 1 1.452 0.030 . 2 . . . A 125 LYS HG3 . 25061 1 1593 . 1 1 125 125 LYS HD2 H 1 1.657 0.030 . 1 . . . A 125 LYS HD2 . 25061 1 1594 . 1 1 125 125 LYS HD3 H 1 1.657 0.030 . 1 . . . A 125 LYS HD3 . 25061 1 1595 . 1 1 125 125 LYS HE2 H 1 2.976 0.030 . 1 . . . A 125 LYS HE2 . 25061 1 1596 . 1 1 125 125 LYS HE3 H 1 2.976 0.030 . 1 . . . A 125 LYS HE3 . 25061 1 1597 . 1 1 125 125 LYS C C 13 178.188 0.450 . 1 . . . A 125 LYS C . 25061 1 1598 . 1 1 125 125 LYS CA C 13 56.980 0.450 . 1 . . . A 125 LYS CA . 25061 1 1599 . 1 1 125 125 LYS CB C 13 32.608 0.450 . 1 . . . A 125 LYS CB . 25061 1 1600 . 1 1 125 125 LYS CG C 13 24.711 0.450 . 1 . . . A 125 LYS CG . 25061 1 1601 . 1 1 125 125 LYS CD C 13 28.913 0.450 . 1 . . . A 125 LYS CD . 25061 1 1602 . 1 1 125 125 LYS CE C 13 41.832 0.450 . 1 . . . A 125 LYS CE . 25061 1 1603 . 1 1 125 125 LYS N N 15 118.933 0.450 . 1 . . . A 125 LYS N . 25061 1 1604 . 1 1 126 126 VAL H H 1 8.044 0.030 . 1 . . . A 126 VAL H . 25061 1 1605 . 1 1 126 126 VAL HA H 1 4.022 0.030 . 1 . . . A 126 VAL HA . 25061 1 1606 . 1 1 126 126 VAL HB H 1 2.205 0.030 . 1 . . . A 126 VAL HB . 25061 1 1607 . 1 1 126 126 VAL HG11 H 1 0.954 0.030 . 1 . . . A 126 VAL HG11 . 25061 1 1608 . 1 1 126 126 VAL HG12 H 1 0.954 0.030 . 1 . . . A 126 VAL HG12 . 25061 1 1609 . 1 1 126 126 VAL HG13 H 1 0.954 0.030 . 1 . . . A 126 VAL HG13 . 25061 1 1610 . 1 1 126 126 VAL HG21 H 1 0.954 0.030 . 1 . . . A 126 VAL HG21 . 25061 1 1611 . 1 1 126 126 VAL HG22 H 1 0.954 0.030 . 1 . . . A 126 VAL HG22 . 25061 1 1612 . 1 1 126 126 VAL HG23 H 1 0.954 0.030 . 1 . . . A 126 VAL HG23 . 25061 1 1613 . 1 1 126 126 VAL C C 13 176.947 0.450 . 1 . . . A 126 VAL C . 25061 1 1614 . 1 1 126 126 VAL CA C 13 63.641 0.450 . 1 . . . A 126 VAL CA . 25061 1 1615 . 1 1 126 126 VAL CB C 13 31.859 0.450 . 1 . . . A 126 VAL CB . 25061 1 1616 . 1 1 126 126 VAL CG1 C 13 20.805 0.450 . 1 . . . A 126 VAL CG1 . 25061 1 1617 . 1 1 126 126 VAL CG2 C 13 20.805 0.450 . 1 . . . A 126 VAL CG2 . 25061 1 1618 . 1 1 126 126 VAL N N 15 117.933 0.450 . 1 . . . A 126 VAL N . 25061 1 1619 . 1 1 127 127 GLY H H 1 8.279 0.030 . 1 . . . A 127 GLY H . 25061 1 1620 . 1 1 127 127 GLY HA2 H 1 4.017 0.030 . 2 . . . A 127 GLY HA2 . 25061 1 1621 . 1 1 127 127 GLY HA3 H 1 3.942 0.030 . 2 . . . A 127 GLY HA3 . 25061 1 1622 . 1 1 127 127 GLY C C 13 174.264 0.450 . 1 . . . A 127 GLY C . 25061 1 1623 . 1 1 127 127 GLY CA C 13 45.279 0.450 . 1 . . . A 127 GLY CA . 25061 1 1624 . 1 1 127 127 GLY N N 15 109.813 0.450 . 1 . . . A 127 GLY N . 25061 1 1625 . 1 1 128 128 SER H H 1 8.048 0.030 . 1 . . . A 128 SER H . 25061 1 1626 . 1 1 128 128 SER HA H 1 4.462 0.030 . 1 . . . A 128 SER HA . 25061 1 1627 . 1 1 128 128 SER HB2 H 1 3.911 0.030 . 1 . . . A 128 SER HB2 . 25061 1 1628 . 1 1 128 128 SER HB3 H 1 3.911 0.030 . 1 . . . A 128 SER HB3 . 25061 1 1629 . 1 1 128 128 SER C C 13 174.775 0.450 . 1 . . . A 128 SER C . 25061 1 1630 . 1 1 128 128 SER CA C 13 58.739 0.450 . 1 . . . A 128 SER CA . 25061 1 1631 . 1 1 128 128 SER CB C 13 63.850 0.450 . 1 . . . A 128 SER CB . 25061 1 1632 . 1 1 128 128 SER N N 15 115.185 0.450 . 1 . . . A 128 SER N . 25061 1 1633 . 1 1 129 129 LEU H H 1 8.147 0.030 . 1 . . . A 129 LEU H . 25061 1 1634 . 1 1 129 129 LEU HA H 1 4.298 0.030 . 1 . . . A 129 LEU HA . 25061 1 1635 . 1 1 129 129 LEU HB2 H 1 1.671 0.030 . 2 . . . A 129 LEU HB2 . 25061 1 1636 . 1 1 129 129 LEU HB3 H 1 1.551 0.030 . 2 . . . A 129 LEU HB3 . 25061 1 1637 . 1 1 129 129 LEU HG H 1 1.678 0.030 . 1 . . . A 129 LEU HG . 25061 1 1638 . 1 1 129 129 LEU HD11 H 1 0.834 0.030 . 2 . . . A 129 LEU HD11 . 25061 1 1639 . 1 1 129 129 LEU HD12 H 1 0.834 0.030 . 2 . . . A 129 LEU HD12 . 25061 1 1640 . 1 1 129 129 LEU HD13 H 1 0.834 0.030 . 2 . . . A 129 LEU HD13 . 25061 1 1641 . 1 1 129 129 LEU HD21 H 1 0.859 0.030 . 2 . . . A 129 LEU HD21 . 25061 1 1642 . 1 1 129 129 LEU HD22 H 1 0.859 0.030 . 2 . . . A 129 LEU HD22 . 25061 1 1643 . 1 1 129 129 LEU HD23 H 1 0.859 0.030 . 2 . . . A 129 LEU HD23 . 25061 1 1644 . 1 1 129 129 LEU C C 13 177.313 0.450 . 1 . . . A 129 LEU C . 25061 1 1645 . 1 1 129 129 LEU CA C 13 55.158 0.450 . 1 . . . A 129 LEU CA . 25061 1 1646 . 1 1 129 129 LEU CB C 13 41.837 0.450 . 1 . . . A 129 LEU CB . 25061 1 1647 . 1 1 129 129 LEU CG C 13 26.700 0.450 . 1 . . . A 129 LEU CG . 25061 1 1648 . 1 1 129 129 LEU CD1 C 13 23.286 0.450 . 1 . . . A 129 LEU CD1 . 25061 1 1649 . 1 1 129 129 LEU CD2 C 13 23.557 0.450 . 1 . . . A 129 LEU CD2 . 25061 1 1650 . 1 1 129 129 LEU N N 15 123.060 0.450 . 1 . . . A 129 LEU N . 25061 1 1651 . 1 1 130 130 GLU H H 1 8.242 0.030 . 1 . . . A 130 GLU H . 25061 1 1652 . 1 1 130 130 GLU HA H 1 4.181 0.030 . 1 . . . A 130 GLU HA . 25061 1 1653 . 1 1 130 130 GLU HB2 H 1 1.919 0.030 . 2 . . . A 130 GLU HB2 . 25061 1 1654 . 1 1 130 130 GLU HB3 H 1 1.851 0.030 . 2 . . . A 130 GLU HB3 . 25061 1 1655 . 1 1 130 130 GLU HG2 H 1 2.136 0.030 . 1 . . . A 130 GLU HG2 . 25061 1 1656 . 1 1 130 130 GLU HG3 H 1 2.136 0.030 . 1 . . . A 130 GLU HG3 . 25061 1 1657 . 1 1 130 130 GLU C C 13 176.148 0.450 . 1 . . . A 130 GLU C . 25061 1 1658 . 1 1 130 130 GLU CA C 13 56.726 0.450 . 1 . . . A 130 GLU CA . 25061 1 1659 . 1 1 130 130 GLU CB C 13 30.026 0.450 . 1 . . . A 130 GLU CB . 25061 1 1660 . 1 1 130 130 GLU CG C 13 36.098 0.450 . 1 . . . A 130 GLU CG . 25061 1 1661 . 1 1 130 130 GLU N N 15 120.088 0.450 . 1 . . . A 130 GLU N . 25061 1 stop_ save_