data_15354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15354 _Entry.Title ; NMR Structure of protein Q60C73_METCA:Northeast Structural Genomics Consortium target McR1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'KIRAN KUMAR' SINGARAPU . . . 15354 2 YIBING WU . . . 15354 3 ALEX ELETSKY . . . 15354 4 DINESH SUKUMARAN . . . 15354 5 DAVID PARISH . . . 15354 6 CHEN CHEN . X. . 15354 7 CHIOMA NWOSU . . . 15354 8 MELISSA MAGLAQUI . . . 15354 9 RONG XIAO . . . 15354 10 JINFENG LIU . . . 15354 11 MICHEAL BARAN . C. . 15354 12 SWAPNA G.V.T. . . . 15354 13 THOMAS ACTON . B. . 15354 14 BURKHARD ROST . . . 15354 15 MONTELIONE GAETANO . T. . 15354 16 THOMAS SZYPERSKI . . . 15354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 15354 '15N chemical shifts' 71 15354 '1H chemical shifts' 486 15354 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-26 2007-06-29 update BMRB 'update entity name' 15354 1 . . 2007-08-29 2007-06-29 original author 'original release' 15354 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15352 'rpt8 dimer' 15354 PDB 2JS5 'BMRB Entry Tracking System' 15354 stop_ save_ ############### # Citations # ############### save_NMR_Structure_of_Q60C73_METCA _Citation.Sf_category citations _Citation.Sf_framecode NMR_Structure_of_Q60C73_METCA _Citation.Entry_ID 15354 _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 'NMR Structure of protein Q60C73_METCA' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 'KIRAN KUMAR' SINGARAPU . . . 15354 1 2 YIBING WU . . . 15354 1 3 ALEX ELETSKY . . . 15354 1 4 DINESH SUKUMARAN . . . 15354 1 5 DAVID PARISH . . . 15354 1 6 CHEN CHEN . . . 15354 1 7 CHIOMA NWOSU . . . 15354 1 8 MELISSA MAGLAQUI . . . 15354 1 9 RONG XIAO . . . 15354 1 10 JINFENG LIU . . . 15354 1 11 MICHEAL BARAN . . . 15354 1 12 SWAPNA G.V.T. . . . 15354 1 13 THOMAS ACTON . . . 15354 1 14 BURKHARD ROST . . . 15354 1 15 MONTELIONE GAETANO . . . 15354 1 16 THOMAS SZYPERSKI . . . 15354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15354 _Assembly.ID 1 _Assembly.Name 'NMR Structure of protein Q60C73_METCA' _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 chain1 1 $entity A . yes native no no . . . 15354 1 2 chain2 1 $entity A . yes native no no . . . 15354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'protein Q60C73_METCA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSEGAEELKAKLKKLNAQAT ALKMDLHDLAEDLPTGWNRI MEVAEKTYEAYRQLDEFRKS TASLEHHHHHHMSEGAEELK AKLKKLNAQATALKMDLHDL AEDLPTGWNRIMEVAEKTYE AYRQLDEFRKSTASLEHHHH HH ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16520.779 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JS5 . "Nmr Structure Of Protein Q60c73_metca. Northeast Structural Genomics Consortium Target Mcr1" . . . . . 50.00 71 100.00 100.00 2.73e-41 . . . . 15354 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 . 15354 1 2 . SER . 15354 1 3 . GLU . 15354 1 4 . GLY . 15354 1 5 . ALA . 15354 1 6 . GLU . 15354 1 7 . GLU . 15354 1 8 . LEU . 15354 1 9 . LYS . 15354 1 10 . ALA . 15354 1 11 . LYS . 15354 1 12 . LEU . 15354 1 13 . LYS . 15354 1 14 . LYS . 15354 1 15 . LEU . 15354 1 16 . ASN . 15354 1 17 . ALA . 15354 1 18 . GLN . 15354 1 19 . ALA . 15354 1 20 . THR . 15354 1 21 . ALA . 15354 1 22 . LEU . 15354 1 23 . LYS . 15354 1 24 . MET . 15354 1 25 . ASP . 15354 1 26 . LEU . 15354 1 27 . HIS . 15354 1 28 . ASP . 15354 1 29 . LEU . 15354 1 30 . ALA . 15354 1 31 . GLU . 15354 1 32 . ASP . 15354 1 33 . LEU . 15354 1 34 . PRO . 15354 1 35 . THR . 15354 1 36 . GLY . 15354 1 37 . TRP . 15354 1 38 . ASN . 15354 1 39 . ARG . 15354 1 40 . ILE . 15354 1 41 . MET . 15354 1 42 . GLU . 15354 1 43 . VAL . 15354 1 44 . ALA . 15354 1 45 . GLU . 15354 1 46 . LYS . 15354 1 47 . THR . 15354 1 48 . TYR . 15354 1 49 . GLU . 15354 1 50 . ALA . 15354 1 51 . TYR . 15354 1 52 . ARG . 15354 1 53 . GLN . 15354 1 54 . LEU . 15354 1 55 . ASP . 15354 1 56 . GLU . 15354 1 57 . PHE . 15354 1 58 . ARG . 15354 1 59 . LYS . 15354 1 60 . SER . 15354 1 61 . THR . 15354 1 62 . ALA . 15354 1 63 . SER . 15354 1 64 . LEU . 15354 1 65 . GLU . 15354 1 66 . HIS . 15354 1 67 . HIS . 15354 1 68 . HIS . 15354 1 69 . HIS . 15354 1 70 . HIS . 15354 1 71 . HIS . 15354 1 72 . MET . 15354 1 73 . SER . 15354 1 74 . GLU . 15354 1 75 . GLY . 15354 1 76 . ALA . 15354 1 77 . GLU . 15354 1 78 . GLU . 15354 1 79 . LEU . 15354 1 80 . LYS . 15354 1 81 . ALA . 15354 1 82 . LYS . 15354 1 83 . LEU . 15354 1 84 . LYS . 15354 1 85 . LYS . 15354 1 86 . LEU . 15354 1 87 . ASN . 15354 1 88 . ALA . 15354 1 89 . GLN . 15354 1 90 . ALA . 15354 1 91 . THR . 15354 1 92 . ALA . 15354 1 93 . LEU . 15354 1 94 . LYS . 15354 1 95 . MET . 15354 1 96 . ASP . 15354 1 97 . LEU . 15354 1 98 . HIS . 15354 1 99 . ASP . 15354 1 100 . LEU . 15354 1 101 . ALA . 15354 1 102 . GLU . 15354 1 103 . ASP . 15354 1 104 . LEU . 15354 1 105 . PRO . 15354 1 106 . THR . 15354 1 107 . GLY . 15354 1 108 . TRP . 15354 1 109 . ASN . 15354 1 110 . ARG . 15354 1 111 . ILE . 15354 1 112 . MET . 15354 1 113 . GLU . 15354 1 114 . VAL . 15354 1 115 . ALA . 15354 1 116 . GLU . 15354 1 117 . LYS . 15354 1 118 . THR . 15354 1 119 . TYR . 15354 1 120 . GLU . 15354 1 121 . ALA . 15354 1 122 . TYR . 15354 1 123 . ARG . 15354 1 124 . GLN . 15354 1 125 . LEU . 15354 1 126 . ASP . 15354 1 127 . GLU . 15354 1 128 . PHE . 15354 1 129 . ARG . 15354 1 130 . LYS . 15354 1 131 . SER . 15354 1 132 . THR . 15354 1 133 . ALA . 15354 1 134 . SER . 15354 1 135 . LEU . 15354 1 136 . GLU . 15354 1 137 . HIS . 15354 1 138 . HIS . 15354 1 139 . HIS . 15354 1 140 . HIS . 15354 1 141 . HIS . 15354 1 142 . HIS . 15354 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 15354 1 . SER 2 2 15354 1 . GLU 3 3 15354 1 . GLY 4 4 15354 1 . ALA 5 5 15354 1 . GLU 6 6 15354 1 . GLU 7 7 15354 1 . LEU 8 8 15354 1 . LYS 9 9 15354 1 . ALA 10 10 15354 1 . LYS 11 11 15354 1 . LEU 12 12 15354 1 . LYS 13 13 15354 1 . LYS 14 14 15354 1 . LEU 15 15 15354 1 . ASN 16 16 15354 1 . ALA 17 17 15354 1 . GLN 18 18 15354 1 . ALA 19 19 15354 1 . THR 20 20 15354 1 . ALA 21 21 15354 1 . LEU 22 22 15354 1 . LYS 23 23 15354 1 . MET 24 24 15354 1 . ASP 25 25 15354 1 . LEU 26 26 15354 1 . HIS 27 27 15354 1 . ASP 28 28 15354 1 . LEU 29 29 15354 1 . ALA 30 30 15354 1 . GLU 31 31 15354 1 . ASP 32 32 15354 1 . LEU 33 33 15354 1 . PRO 34 34 15354 1 . THR 35 35 15354 1 . GLY 36 36 15354 1 . TRP 37 37 15354 1 . ASN 38 38 15354 1 . ARG 39 39 15354 1 . ILE 40 40 15354 1 . MET 41 41 15354 1 . GLU 42 42 15354 1 . VAL 43 43 15354 1 . ALA 44 44 15354 1 . GLU 45 45 15354 1 . LYS 46 46 15354 1 . THR 47 47 15354 1 . TYR 48 48 15354 1 . GLU 49 49 15354 1 . ALA 50 50 15354 1 . TYR 51 51 15354 1 . ARG 52 52 15354 1 . GLN 53 53 15354 1 . LEU 54 54 15354 1 . ASP 55 55 15354 1 . GLU 56 56 15354 1 . PHE 57 57 15354 1 . ARG 58 58 15354 1 . LYS 59 59 15354 1 . SER 60 60 15354 1 . THR 61 61 15354 1 . ALA 62 62 15354 1 . SER 63 63 15354 1 . LEU 64 64 15354 1 . GLU 65 65 15354 1 . HIS 66 66 15354 1 . HIS 67 67 15354 1 . HIS 68 68 15354 1 . HIS 69 69 15354 1 . HIS 70 70 15354 1 . HIS 71 71 15354 1 . MET 72 72 15354 1 . SER 73 73 15354 1 . GLU 74 74 15354 1 . GLY 75 75 15354 1 . ALA 76 76 15354 1 . GLU 77 77 15354 1 . GLU 78 78 15354 1 . LEU 79 79 15354 1 . LYS 80 80 15354 1 . ALA 81 81 15354 1 . LYS 82 82 15354 1 . LEU 83 83 15354 1 . LYS 84 84 15354 1 . LYS 85 85 15354 1 . LEU 86 86 15354 1 . ASN 87 87 15354 1 . ALA 88 88 15354 1 . GLN 89 89 15354 1 . ALA 90 90 15354 1 . THR 91 91 15354 1 . ALA 92 92 15354 1 . LEU 93 93 15354 1 . LYS 94 94 15354 1 . MET 95 95 15354 1 . ASP 96 96 15354 1 . LEU 97 97 15354 1 . HIS 98 98 15354 1 . ASP 99 99 15354 1 . LEU 100 100 15354 1 . ALA 101 101 15354 1 . GLU 102 102 15354 1 . ASP 103 103 15354 1 . LEU 104 104 15354 1 . PRO 105 105 15354 1 . THR 106 106 15354 1 . GLY 107 107 15354 1 . TRP 108 108 15354 1 . ASN 109 109 15354 1 . ARG 110 110 15354 1 . ILE 111 111 15354 1 . MET 112 112 15354 1 . GLU 113 113 15354 1 . VAL 114 114 15354 1 . ALA 115 115 15354 1 . GLU 116 116 15354 1 . LYS 117 117 15354 1 . THR 118 118 15354 1 . TYR 119 119 15354 1 . GLU 120 120 15354 1 . ALA 121 121 15354 1 . TYR 122 122 15354 1 . ARG 123 123 15354 1 . GLN 124 124 15354 1 . LEU 125 125 15354 1 . ASP 126 126 15354 1 . GLU 127 127 15354 1 . PHE 128 128 15354 1 . ARG 129 129 15354 1 . LYS 130 130 15354 1 . SER 131 131 15354 1 . THR 132 132 15354 1 . ALA 133 133 15354 1 . SER 134 134 15354 1 . LEU 135 135 15354 1 . GLU 136 136 15354 1 . HIS 137 137 15354 1 . HIS 138 138 15354 1 . HIS 139 139 15354 1 . HIS 140 140 15354 1 . HIS 141 141 15354 1 . HIS 142 142 15354 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 15354 _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 $entity . 1076 plasmid . 'Methylococcus Capsulatus' . . . Bacteria . Methylococcus Capsulatus . . . . . . . . . . . . . . . . . . . . . 15354 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 15354 _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 $entity . 'recombinant technology' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pet22 . . . . . . 15354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.0 . . mM . . . . 15354 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15354 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-50% 13C; U-50% 15N]' . . 1 $entity . . 1.0 . . mM . . . . 15354 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 15354 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15354 1 pH 4.5 . pH 15354 1 pressure 1 . atm 15354 1 temperature 298 . K 15354 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15354 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15354 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15354 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15354 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15354 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15354 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15354 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15354 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15354 _Software.ID 4 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15354 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15354 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15354 _Software.ID 5 _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' . . 15354 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15354 5 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 15354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15354 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15354 _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 . 750 . . . 15354 1 2 spectrometer_2 Varian INOVA . 600 . . . 15354 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 15354 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 1 5 '3D HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 1 6 '4,3D GFT HABCABCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 1 7 '3D sim NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 1 8 '3D giltered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15354 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 15354 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15354 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15354 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15354 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 15354 _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' . . . 15354 1 2 '2D 1H-13C HSQC' . . . 15354 1 3 '3D HNCACB' . . . 15354 1 4 '3D CBCA(CO)NH' . . . 15354 1 5 '3D sim NOESY' . . . 15354 1 6 '4,3D GFT HABCABCONH' . . . 15354 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 SER H H 1 8.290 0.000 . 1 . . . . 2 SER H . 15354 1 2 . 1 1 2 2 SER HA H 1 4.200 0.000 . 1 . . . . 2 SER HA . 15354 1 3 . 1 1 2 2 SER HB2 H 1 4.012 0.000 . 2 . . . . 2 SER HB2 . 15354 1 4 . 1 1 2 2 SER HB3 H 1 4.013 0.000 . 2 . . . . 2 SER HB3 . 15354 1 5 . 1 1 2 2 SER CA C 13 57.317 0.000 . 1 . . . . 2 SER CA . 15354 1 6 . 1 1 2 2 SER CB C 13 63.022 0.000 . 1 . . . . 2 SER CB . 15354 1 7 . 1 1 2 2 SER N N 15 116.300 0.000 . 1 . . . . 2 SER N . 15354 1 8 . 1 1 3 3 GLU H H 1 8.952 0.000 . 1 . . . . 3 GLU H . 15354 1 9 . 1 1 3 3 GLU HA H 1 4.384 0.000 . 1 . . . . 3 GLU HA . 15354 1 10 . 1 1 3 3 GLU HB2 H 1 2.004 0.000 . 2 . . . . 3 GLU HB2 . 15354 1 11 . 1 1 3 3 GLU HB3 H 1 2.099 0.005 . 2 . . . . 3 GLU HB3 . 15354 1 12 . 1 1 3 3 GLU HG2 H 1 2.347 0.004 . 2 . . . . 3 GLU HG2 . 15354 1 13 . 1 1 3 3 GLU HG3 H 1 2.347 0.003 . 2 . . . . 3 GLU HG3 . 15354 1 14 . 1 1 3 3 GLU C C 13 176.595 0.000 . 1 . . . . 3 GLU C . 15354 1 15 . 1 1 3 3 GLU CA C 13 56.820 0.000 . 1 . . . . 3 GLU CA . 15354 1 16 . 1 1 3 3 GLU CB C 13 30.122 0.000 . 1 . . . . 3 GLU CB . 15354 1 17 . 1 1 3 3 GLU CG C 13 35.591 0.000 . 1 . . . . 3 GLU CG . 15354 1 18 . 1 1 3 3 GLU N N 15 121.842 0.000 . 1 . . . . 3 GLU N . 15354 1 19 . 1 1 4 4 GLY H H 1 8.690 0.000 . 1 . . . . 4 GLY H . 15354 1 20 . 1 1 4 4 GLY HA2 H 1 4.062 0.000 . 2 . . . . 4 GLY HA2 . 15354 1 21 . 1 1 4 4 GLY HA3 H 1 4.019 0.000 . 2 . . . . 4 GLY HA3 . 15354 1 22 . 1 1 4 4 GLY C C 13 174.573 0.000 . 1 . . . . 4 GLY C . 15354 1 23 . 1 1 4 4 GLY CA C 13 45.414 0.000 . 1 . . . . 4 GLY CA . 15354 1 24 . 1 1 4 4 GLY N N 15 110.421 0.000 . 1 . . . . 4 GLY N . 15354 1 25 . 1 1 5 5 ALA H H 1 8.415 0.000 . 1 . . . . 5 ALA H . 15354 1 26 . 1 1 5 5 ALA HA H 1 4.161 0.000 . 1 . . . . 5 ALA HA . 15354 1 27 . 1 1 5 5 ALA HB1 H 1 1.479 0.004 . 1 . . . . 5 ALA QB . 15354 1 28 . 1 1 5 5 ALA HB2 H 1 1.479 0.004 . 1 . . . . 5 ALA QB . 15354 1 29 . 1 1 5 5 ALA HB3 H 1 1.479 0.004 . 1 . . . . 5 ALA QB . 15354 1 30 . 1 1 5 5 ALA C C 13 179.973 0.000 . 1 . . . . 5 ALA C . 15354 1 31 . 1 1 5 5 ALA CA C 13 54.650 0.000 . 1 . . . . 5 ALA CA . 15354 1 32 . 1 1 5 5 ALA CB C 13 18.876 0.000 . 1 . . . . 5 ALA CB . 15354 1 33 . 1 1 5 5 ALA N N 15 123.558 0.000 . 1 . . . . 5 ALA N . 15354 1 34 . 1 1 6 6 GLU H H 1 8.656 0.000 . 1 . . . . 6 GLU H . 15354 1 35 . 1 1 6 6 GLU HA H 1 4.088 0.000 . 1 . . . . 6 GLU HA . 15354 1 36 . 1 1 6 6 GLU HB2 H 1 2.082 0.000 . 2 . . . . 6 GLU HB2 . 15354 1 37 . 1 1 6 6 GLU HB3 H 1 2.082 0.000 . 2 . . . . 6 GLU HB3 . 15354 1 38 . 1 1 6 6 GLU HG2 H 1 2.377 0.000 . 2 . . . . 6 GLU HG2 . 15354 1 39 . 1 1 6 6 GLU HG3 H 1 2.395 0.000 . 2 . . . . 6 GLU HG3 . 15354 1 40 . 1 1 6 6 GLU C C 13 178.956 0.000 . 1 . . . . 6 GLU C . 15354 1 41 . 1 1 6 6 GLU CA C 13 58.880 0.000 . 1 . . . . 6 GLU CA . 15354 1 42 . 1 1 6 6 GLU CB C 13 28.794 0.000 . 1 . . . . 6 GLU CB . 15354 1 43 . 1 1 6 6 GLU CG C 13 36.010 0.000 . 1 . . . . 6 GLU CG . 15354 1 44 . 1 1 6 6 GLU N N 15 118.172 0.000 . 1 . . . . 6 GLU N . 15354 1 45 . 1 1 7 7 GLU H H 1 8.323 0.000 . 1 . . . . 7 GLU H . 15354 1 46 . 1 1 7 7 GLU HA H 1 4.165 0.000 . 1 . . . . 7 GLU HA . 15354 1 47 . 1 1 7 7 GLU HB2 H 1 2.089 0.000 . 2 . . . . 7 GLU HB2 . 15354 1 48 . 1 1 7 7 GLU HB3 H 1 2.177 0.000 . 2 . . . . 7 GLU HB3 . 15354 1 49 . 1 1 7 7 GLU HG2 H 1 2.390 0.000 . 2 . . . . 7 GLU HG2 . 15354 1 50 . 1 1 7 7 GLU HG3 H 1 2.388 0.000 . 2 . . . . 7 GLU HG3 . 15354 1 51 . 1 1 7 7 GLU C C 13 179.073 0.000 . 1 . . . . 7 GLU C . 15354 1 52 . 1 1 7 7 GLU CA C 13 59.115 0.000 . 1 . . . . 7 GLU CA . 15354 1 53 . 1 1 7 7 GLU CB C 13 28.843 0.000 . 1 . . . . 7 GLU CB . 15354 1 54 . 1 1 7 7 GLU CG C 13 36.010 0.000 . 1 . . . . 7 GLU CG . 15354 1 55 . 1 1 7 7 GLU N N 15 121.446 0.000 . 1 . . . . 7 GLU N . 15354 1 56 . 1 1 8 8 LEU H H 1 8.045 0.000 . 1 . . . . 8 LEU H . 15354 1 57 . 1 1 8 8 LEU HA H 1 4.233 0.001 . 1 . . . . 8 LEU HA . 15354 1 58 . 1 1 8 8 LEU HB2 H 1 1.689 0.002 . 2 . . . . 8 LEU HB2 . 15354 1 59 . 1 1 8 8 LEU HB3 H 1 1.930 0.005 . 2 . . . . 8 LEU HB3 . 15354 1 60 . 1 1 8 8 LEU HD11 H 1 0.945 0.004 . 2 . . . . 8 LEU QD1 . 15354 1 61 . 1 1 8 8 LEU HD12 H 1 0.945 0.004 . 2 . . . . 8 LEU QD1 . 15354 1 62 . 1 1 8 8 LEU HD13 H 1 0.945 0.004 . 2 . . . . 8 LEU QD1 . 15354 1 63 . 1 1 8 8 LEU HD21 H 1 0.918 0.000 . 2 . . . . 8 LEU QD2 . 15354 1 64 . 1 1 8 8 LEU HD22 H 1 0.918 0.000 . 2 . . . . 8 LEU QD2 . 15354 1 65 . 1 1 8 8 LEU HD23 H 1 0.918 0.000 . 2 . . . . 8 LEU QD2 . 15354 1 66 . 1 1 8 8 LEU HG H 1 1.803 0.006 . 1 . . . . 8 LEU HG . 15354 1 67 . 1 1 8 8 LEU C C 13 179.073 0.000 . 1 . . . . 8 LEU C . 15354 1 68 . 1 1 8 8 LEU CA C 13 58.165 0.000 . 1 . . . . 8 LEU CA . 15354 1 69 . 1 1 8 8 LEU CB C 13 41.718 0.000 . 1 . . . . 8 LEU CB . 15354 1 70 . 1 1 8 8 LEU CD1 C 13 23.524 0.000 . 1 . . . . 8 LEU CD1 . 15354 1 71 . 1 1 8 8 LEU CD2 C 13 25.324 0.000 . 1 . . . . 8 LEU CD2 . 15354 1 72 . 1 1 8 8 LEU CG C 13 27.038 0.000 . 1 . . . . 8 LEU CG . 15354 1 73 . 1 1 8 8 LEU N N 15 121.230 0.000 . 1 . . . . 8 LEU N . 15354 1 74 . 1 1 9 9 LYS H H 1 8.005 0.000 . 1 . . . . 9 LYS H . 15354 1 75 . 1 1 9 9 LYS HA H 1 4.007 0.000 . 1 . . . . 9 LYS HA . 15354 1 76 . 1 1 9 9 LYS HB2 H 1 1.906 0.000 . 2 . . . . 9 LYS HB2 . 15354 1 77 . 1 1 9 9 LYS HB3 H 1 1.906 0.000 . 2 . . . . 9 LYS HB3 . 15354 1 78 . 1 1 9 9 LYS HD2 H 1 1.686 0.000 . 2 . . . . 9 LYS HD2 . 15354 1 79 . 1 1 9 9 LYS HD3 H 1 1.709 0.000 . 2 . . . . 9 LYS HD3 . 15354 1 80 . 1 1 9 9 LYS HE2 H 1 2.960 0.000 . 2 . . . . 9 LYS HE2 . 15354 1 81 . 1 1 9 9 LYS HE3 H 1 2.975 0.000 . 2 . . . . 9 LYS HE3 . 15354 1 82 . 1 1 9 9 LYS HG2 H 1 1.401 0.000 . 2 . . . . 9 LYS HG2 . 15354 1 83 . 1 1 9 9 LYS HG3 H 1 1.569 0.000 . 2 . . . . 9 LYS HG3 . 15354 1 84 . 1 1 9 9 LYS C C 13 179.249 0.000 . 1 . . . . 9 LYS C . 15354 1 85 . 1 1 9 9 LYS CA C 13 59.594 0.000 . 1 . . . . 9 LYS CA . 15354 1 86 . 1 1 9 9 LYS CB C 13 32.347 0.000 . 1 . . . . 9 LYS CB . 15354 1 87 . 1 1 9 9 LYS CD C 13 29.274 0.000 . 1 . . . . 9 LYS CD . 15354 1 88 . 1 1 9 9 LYS CE C 13 41.940 0.000 . 1 . . . . 9 LYS CE . 15354 1 89 . 1 1 9 9 LYS CG C 13 24.910 0.000 . 1 . . . . 9 LYS CG . 15354 1 90 . 1 1 9 9 LYS N N 15 119.039 0.000 . 1 . . . . 9 LYS N . 15354 1 91 . 1 1 10 10 ALA H H 1 7.934 0.000 . 1 . . . . 10 ALA H . 15354 1 92 . 1 1 10 10 ALA HA H 1 4.125 0.000 . 1 . . . . 10 ALA HA . 15354 1 93 . 1 1 10 10 ALA HB1 H 1 1.506 0.000 . 1 . . . . 10 ALA QB . 15354 1 94 . 1 1 10 10 ALA HB2 H 1 1.506 0.000 . 1 . . . . 10 ALA QB . 15354 1 95 . 1 1 10 10 ALA HB3 H 1 1.506 0.000 . 1 . . . . 10 ALA QB . 15354 1 96 . 1 1 10 10 ALA C C 13 180.488 0.000 . 1 . . . . 10 ALA C . 15354 1 97 . 1 1 10 10 ALA CA C 13 54.833 0.000 . 1 . . . . 10 ALA CA . 15354 1 98 . 1 1 10 10 ALA CB C 13 17.905 0.000 . 1 . . . . 10 ALA CB . 15354 1 99 . 1 1 10 10 ALA N N 15 121.994 0.000 . 1 . . . . 10 ALA N . 15354 1 100 . 1 1 11 11 LYS H H 1 8.022 0.000 . 1 . . . . 11 LYS H . 15354 1 101 . 1 1 11 11 LYS HA H 1 3.934 0.000 . 1 . . . . 11 LYS HA . 15354 1 102 . 1 1 11 11 LYS HB2 H 1 1.847 0.000 . 2 . . . . 11 LYS HB2 . 15354 1 103 . 1 1 11 11 LYS HB3 H 1 1.733 0.000 . 2 . . . . 11 LYS HB3 . 15354 1 104 . 1 1 11 11 LYS HD2 H 1 1.578 0.000 . 2 . . . . 11 LYS HD2 . 15354 1 105 . 1 1 11 11 LYS HD3 H 1 1.559 0.000 . 2 . . . . 11 LYS HD3 . 15354 1 106 . 1 1 11 11 LYS HE2 H 1 2.680 0.003 . 2 . . . . 11 LYS HE2 . 15354 1 107 . 1 1 11 11 LYS HE3 H 1 2.786 0.001 . 2 . . . . 11 LYS HE3 . 15354 1 108 . 1 1 11 11 LYS HG2 H 1 0.959 0.000 . 2 . . . . 11 LYS HG2 . 15354 1 109 . 1 1 11 11 LYS HG3 H 1 1.246 0.000 . 2 . . . . 11 LYS HG3 . 15354 1 110 . 1 1 11 11 LYS C C 13 178.185 0.000 . 1 . . . . 11 LYS C . 15354 1 111 . 1 1 11 11 LYS CA C 13 59.349 0.000 . 1 . . . . 11 LYS CA . 15354 1 112 . 1 1 11 11 LYS CB C 13 32.041 0.000 . 1 . . . . 11 LYS CB . 15354 1 113 . 1 1 11 11 LYS CD C 13 29.305 0.000 . 1 . . . . 11 LYS CD . 15354 1 114 . 1 1 11 11 LYS CE C 13 41.876 0.000 . 1 . . . . 11 LYS CE . 15354 1 115 . 1 1 11 11 LYS CG C 13 25.030 0.000 . 1 . . . . 11 LYS CG . 15354 1 116 . 1 1 11 11 LYS N N 15 120.945 0.000 . 1 . . . . 11 LYS N . 15354 1 117 . 1 1 12 12 LEU H H 1 8.122 0.000 . 1 . . . . 12 LEU H . 15354 1 118 . 1 1 12 12 LEU HA H 1 3.681 0.005 . 1 . . . . 12 LEU HA . 15354 1 119 . 1 1 12 12 LEU HB2 H 1 1.709 0.000 . 2 . . . . 12 LEU HB2 . 15354 1 120 . 1 1 12 12 LEU HB3 H 1 1.874 0.000 . 2 . . . . 12 LEU HB3 . 15354 1 121 . 1 1 12 12 LEU HD11 H 1 0.897 0.005 . 2 . . . . 12 LEU QD1 . 15354 1 122 . 1 1 12 12 LEU HD12 H 1 0.897 0.005 . 2 . . . . 12 LEU QD1 . 15354 1 123 . 1 1 12 12 LEU HD13 H 1 0.897 0.005 . 2 . . . . 12 LEU QD1 . 15354 1 124 . 1 1 12 12 LEU HD21 H 1 0.958 0.000 . 2 . . . . 12 LEU QD2 . 15354 1 125 . 1 1 12 12 LEU HD22 H 1 0.958 0.000 . 2 . . . . 12 LEU QD2 . 15354 1 126 . 1 1 12 12 LEU HD23 H 1 0.958 0.000 . 2 . . . . 12 LEU QD2 . 15354 1 127 . 1 1 12 12 LEU HG H 1 1.620 0.005 . 1 . . . . 12 LEU HG . 15354 1 128 . 1 1 12 12 LEU C C 13 178.512 0.000 . 1 . . . . 12 LEU C . 15354 1 129 . 1 1 12 12 LEU CA C 13 58.070 0.000 . 1 . . . . 12 LEU CA . 15354 1 130 . 1 1 12 12 LEU CB C 13 41.416 0.000 . 1 . . . . 12 LEU CB . 15354 1 131 . 1 1 12 12 LEU CD1 C 13 23.521 0.000 . 1 . . . . 12 LEU CD1 . 15354 1 132 . 1 1 12 12 LEU CD2 C 13 25.272 0.000 . 1 . . . . 12 LEU CD2 . 15354 1 133 . 1 1 12 12 LEU CG C 13 26.770 0.000 . 1 . . . . 12 LEU CG . 15354 1 134 . 1 1 12 12 LEU N N 15 120.126 0.000 . 1 . . . . 12 LEU N . 15354 1 135 . 1 1 13 13 LYS H H 1 7.871 0.000 . 1 . . . . 13 LYS H . 15354 1 136 . 1 1 13 13 LYS HA H 1 4.010 0.003 . 1 . . . . 13 LYS HA . 15354 1 137 . 1 1 13 13 LYS HB2 H 1 1.920 0.000 . 2 . . . . 13 LYS HB2 . 15354 1 138 . 1 1 13 13 LYS HB3 H 1 1.920 0.000 . 2 . . . . 13 LYS HB3 . 15354 1 139 . 1 1 13 13 LYS HD2 H 1 1.689 0.000 . 2 . . . . 13 LYS HD2 . 15354 1 140 . 1 1 13 13 LYS HD3 H 1 1.690 0.000 . 2 . . . . 13 LYS HD3 . 15354 1 141 . 1 1 13 13 LYS HE2 H 1 2.968 0.000 . 2 . . . . 13 LYS HE2 . 15354 1 142 . 1 1 13 13 LYS HE3 H 1 2.968 0.000 . 2 . . . . 13 LYS HE3 . 15354 1 143 . 1 1 13 13 LYS HG2 H 1 1.411 0.000 . 2 . . . . 13 LYS HG2 . 15354 1 144 . 1 1 13 13 LYS HG3 H 1 1.564 0.000 . 2 . . . . 13 LYS HG3 . 15354 1 145 . 1 1 13 13 LYS C C 13 179.564 0.000 . 1 . . . . 13 LYS C . 15354 1 146 . 1 1 13 13 LYS CA C 13 59.694 0.000 . 1 . . . . 13 LYS CA . 15354 1 147 . 1 1 13 13 LYS CB C 13 32.262 0.000 . 1 . . . . 13 LYS CB . 15354 1 148 . 1 1 13 13 LYS CD C 13 29.413 0.000 . 1 . . . . 13 LYS CD . 15354 1 149 . 1 1 13 13 LYS CE C 13 41.993 0.000 . 1 . . . . 13 LYS CE . 15354 1 150 . 1 1 13 13 LYS CG C 13 25.155 0.000 . 1 . . . . 13 LYS CG . 15354 1 151 . 1 1 13 13 LYS N N 15 118.718 0.000 . 1 . . . . 13 LYS N . 15354 1 152 . 1 1 14 14 LYS H H 1 7.686 0.000 . 1 . . . . 14 LYS H . 15354 1 153 . 1 1 14 14 LYS HA H 1 4.081 0.000 . 1 . . . . 14 LYS HA . 15354 1 154 . 1 1 14 14 LYS HB2 H 1 1.862 0.000 . 2 . . . . 14 LYS HB2 . 15354 1 155 . 1 1 14 14 LYS HB3 H 1 1.885 0.000 . 2 . . . . 14 LYS HB3 . 15354 1 156 . 1 1 14 14 LYS HD2 H 1 1.620 0.000 . 2 . . . . 14 LYS HD2 . 15354 1 157 . 1 1 14 14 LYS HD3 H 1 1.626 0.000 . 2 . . . . 14 LYS HD3 . 15354 1 158 . 1 1 14 14 LYS HE2 H 1 2.910 0.000 . 2 . . . . 14 LYS HE2 . 15354 1 159 . 1 1 14 14 LYS HE3 H 1 2.906 0.000 . 2 . . . . 14 LYS HE3 . 15354 1 160 . 1 1 14 14 LYS HG2 H 1 1.319 0.000 . 2 . . . . 14 LYS HG2 . 15354 1 161 . 1 1 14 14 LYS HG3 H 1 1.497 0.000 . 2 . . . . 14 LYS HG3 . 15354 1 162 . 1 1 14 14 LYS C C 13 179.097 0.000 . 1 . . . . 14 LYS C . 15354 1 163 . 1 1 14 14 LYS CA C 13 59.473 0.000 . 1 . . . . 14 LYS CA . 15354 1 164 . 1 1 14 14 LYS CB C 13 32.352 0.000 . 1 . . . . 14 LYS CB . 15354 1 165 . 1 1 14 14 LYS CD C 13 29.255 0.000 . 1 . . . . 14 LYS CD . 15354 1 166 . 1 1 14 14 LYS CE C 13 41.950 0.000 . 1 . . . . 14 LYS CE . 15354 1 167 . 1 1 14 14 LYS CG C 13 24.878 0.000 . 1 . . . . 14 LYS CG . 15354 1 168 . 1 1 14 14 LYS N N 15 120.691 0.000 . 1 . . . . 14 LYS N . 15354 1 169 . 1 1 15 15 LEU H H 1 8.435 0.000 . 1 . . . . 15 LEU H . 15354 1 170 . 1 1 15 15 LEU HA H 1 3.999 0.001 . 1 . . . . 15 LEU HA . 15354 1 171 . 1 1 15 15 LEU HB2 H 1 1.231 0.000 . 2 . . . . 15 LEU HB2 . 15354 1 172 . 1 1 15 15 LEU HB3 H 1 1.725 0.000 . 2 . . . . 15 LEU HB3 . 15354 1 173 . 1 1 15 15 LEU HD11 H 1 0.702 0.002 . 2 . . . . 15 LEU QD1 . 15354 1 174 . 1 1 15 15 LEU HD12 H 1 0.702 0.002 . 2 . . . . 15 LEU QD1 . 15354 1 175 . 1 1 15 15 LEU HD13 H 1 0.702 0.002 . 2 . . . . 15 LEU QD1 . 15354 1 176 . 1 1 15 15 LEU HD21 H 1 0.445 0.006 . 2 . . . . 15 LEU QD2 . 15354 1 177 . 1 1 15 15 LEU HD22 H 1 0.445 0.006 . 2 . . . . 15 LEU QD2 . 15354 1 178 . 1 1 15 15 LEU HD23 H 1 0.445 0.006 . 2 . . . . 15 LEU QD2 . 15354 1 179 . 1 1 15 15 LEU HG H 1 1.606 0.000 . 1 . . . . 15 LEU HG . 15354 1 180 . 1 1 15 15 LEU C C 13 180.967 0.000 . 1 . . . . 15 LEU C . 15354 1 181 . 1 1 15 15 LEU CA C 13 57.625 0.000 . 1 . . . . 15 LEU CA . 15354 1 182 . 1 1 15 15 LEU CB C 13 42.536 0.000 . 1 . . . . 15 LEU CB . 15354 1 183 . 1 1 15 15 LEU CD1 C 13 22.569 0.000 . 1 . . . . 15 LEU CD1 . 15354 1 184 . 1 1 15 15 LEU CD2 C 13 26.325 0.000 . 1 . . . . 15 LEU CD2 . 15354 1 185 . 1 1 15 15 LEU CG C 13 26.592 0.000 . 1 . . . . 15 LEU CG . 15354 1 186 . 1 1 15 15 LEU N N 15 119.779 0.000 . 1 . . . . 15 LEU N . 15354 1 187 . 1 1 16 16 ASN H H 1 8.802 0.000 . 1 . . . . 16 ASN H . 15354 1 188 . 1 1 16 16 ASN HA H 1 4.366 0.000 . 1 . . . . 16 ASN HA . 15354 1 189 . 1 1 16 16 ASN HB2 H 1 2.747 0.000 . 2 . . . . 16 ASN HB2 . 15354 1 190 . 1 1 16 16 ASN HB3 H 1 2.748 0.002 . 2 . . . . 16 ASN HB3 . 15354 1 191 . 1 1 16 16 ASN HD21 H 1 7.405 0.007 . 2 . . . . 16 ASN HD21 . 15354 1 192 . 1 1 16 16 ASN HD22 H 1 6.797 0.004 . 2 . . . . 16 ASN HD22 . 15354 1 193 . 1 1 16 16 ASN C C 13 177.682 0.000 . 1 . . . . 16 ASN C . 15354 1 194 . 1 1 16 16 ASN CA C 13 56.650 0.000 . 1 . . . . 16 ASN CA . 15354 1 195 . 1 1 16 16 ASN CB C 13 38.947 0.000 . 1 . . . . 16 ASN CB . 15354 1 196 . 1 1 16 16 ASN N N 15 119.412 0.000 . 1 . . . . 16 ASN N . 15354 1 197 . 1 1 16 16 ASN ND2 N 15 112.467 0.000 . 1 . . . . 16 ASN ND2 . 15354 1 198 . 1 1 17 17 ALA H H 1 8.275 0.000 . 1 . . . . 17 ALA H . 15354 1 199 . 1 1 17 17 ALA HA H 1 4.104 0.000 . 1 . . . . 17 ALA HA . 15354 1 200 . 1 1 17 17 ALA HB1 H 1 1.530 0.000 . 1 . . . . 17 ALA QB . 15354 1 201 . 1 1 17 17 ALA HB2 H 1 1.530 0.000 . 1 . . . . 17 ALA QB . 15354 1 202 . 1 1 17 17 ALA HB3 H 1 1.530 0.000 . 1 . . . . 17 ALA QB . 15354 1 203 . 1 1 17 17 ALA C C 13 180.803 0.000 . 1 . . . . 17 ALA C . 15354 1 204 . 1 1 17 17 ALA CA C 13 55.138 0.000 . 1 . . . . 17 ALA CA . 15354 1 205 . 1 1 17 17 ALA CB C 13 17.769 0.000 . 1 . . . . 17 ALA CB . 15354 1 206 . 1 1 17 17 ALA N N 15 124.300 0.000 . 1 . . . . 17 ALA N . 15354 1 207 . 1 1 18 18 GLN H H 1 8.162 0.000 . 1 . . . . 18 GLN H . 15354 1 208 . 1 1 18 18 GLN HA H 1 4.098 0.000 . 1 . . . . 18 GLN HA . 15354 1 209 . 1 1 18 18 GLN HB2 H 1 1.987 0.000 . 2 . . . . 18 GLN HB2 . 15354 1 210 . 1 1 18 18 GLN HB3 H 1 2.095 0.000 . 2 . . . . 18 GLN HB3 . 15354 1 211 . 1 1 18 18 GLN HE21 H 1 7.497 0.000 . 2 . . . . 18 GLN HE21 . 15354 1 212 . 1 1 18 18 GLN HE22 H 1 6.855 0.000 . 2 . . . . 18 GLN HE22 . 15354 1 213 . 1 1 18 18 GLN HG2 H 1 2.346 0.008 . 2 . . . . 18 GLN HG2 . 15354 1 214 . 1 1 18 18 GLN HG3 H 1 2.429 0.000 . 2 . . . . 18 GLN HG3 . 15354 1 215 . 1 1 18 18 GLN C C 13 178.068 0.000 . 1 . . . . 18 GLN C . 15354 1 216 . 1 1 18 18 GLN CA C 13 58.715 0.000 . 1 . . . . 18 GLN CA . 15354 1 217 . 1 1 18 18 GLN CB C 13 28.783 0.000 . 1 . . . . 18 GLN CB . 15354 1 218 . 1 1 18 18 GLN CG C 13 34.148 0.000 . 1 . . . . 18 GLN CG . 15354 1 219 . 1 1 18 18 GLN N N 15 118.639 0.000 . 1 . . . . 18 GLN N . 15354 1 220 . 1 1 18 18 GLN NE2 N 15 110.926 0.000 . 1 . . . . 18 GLN NE2 . 15354 1 221 . 1 1 19 19 ALA H H 1 7.641 0.000 . 1 . . . . 19 ALA H . 15354 1 222 . 1 1 19 19 ALA HA H 1 3.619 0.000 . 1 . . . . 19 ALA HA . 15354 1 223 . 1 1 19 19 ALA HB1 H 1 0.473 0.000 . 1 . . . . 19 ALA QB . 15354 1 224 . 1 1 19 19 ALA HB2 H 1 0.473 0.000 . 1 . . . . 19 ALA QB . 15354 1 225 . 1 1 19 19 ALA HB3 H 1 0.473 0.000 . 1 . . . . 19 ALA QB . 15354 1 226 . 1 1 19 19 ALA C C 13 177.752 0.000 . 1 . . . . 19 ALA C . 15354 1 227 . 1 1 19 19 ALA CA C 13 55.383 0.000 . 1 . . . . 19 ALA CA . 15354 1 228 . 1 1 19 19 ALA CB C 13 16.022 0.000 . 1 . . . . 19 ALA CB . 15354 1 229 . 1 1 19 19 ALA N N 15 121.007 0.000 . 1 . . . . 19 ALA N . 15354 1 230 . 1 1 20 20 THR H H 1 8.208 0.000 . 1 . . . . 20 THR H . 15354 1 231 . 1 1 20 20 THR HA H 1 3.862 0.002 . 1 . . . . 20 THR HA . 15354 1 232 . 1 1 20 20 THR HB H 1 4.195 0.000 . 1 . . . . 20 THR HB . 15354 1 233 . 1 1 20 20 THR HG21 H 1 1.259 0.000 . 1 . . . . 20 THR QG2 . 15354 1 234 . 1 1 20 20 THR HG22 H 1 1.259 0.000 . 1 . . . . 20 THR QG2 . 15354 1 235 . 1 1 20 20 THR HG23 H 1 1.259 0.000 . 1 . . . . 20 THR QG2 . 15354 1 236 . 1 1 20 20 THR C C 13 175.800 0.000 . 1 . . . . 20 THR C . 15354 1 237 . 1 1 20 20 THR CA C 13 66.631 0.000 . 1 . . . . 20 THR CA . 15354 1 238 . 1 1 20 20 THR CB C 13 68.846 0.000 . 1 . . . . 20 THR CB . 15354 1 239 . 1 1 20 20 THR CG2 C 13 21.727 0.000 . 1 . . . . 20 THR CG2 . 15354 1 240 . 1 1 20 20 THR N N 15 113.189 0.000 . 1 . . . . 20 THR N . 15354 1 241 . 1 1 21 21 ALA H H 1 7.808 0.000 . 1 . . . . 21 ALA H . 15354 1 242 . 1 1 21 21 ALA HA H 1 4.150 0.007 . 1 . . . . 21 ALA HA . 15354 1 243 . 1 1 21 21 ALA HB1 H 1 1.479 0.005 . 1 . . . . 21 ALA QB . 15354 1 244 . 1 1 21 21 ALA HB2 H 1 1.479 0.005 . 1 . . . . 21 ALA QB . 15354 1 245 . 1 1 21 21 ALA HB3 H 1 1.479 0.005 . 1 . . . . 21 ALA QB . 15354 1 246 . 1 1 21 21 ALA C C 13 180.464 0.000 . 1 . . . . 21 ALA C . 15354 1 247 . 1 1 21 21 ALA CA C 13 55.233 0.000 . 1 . . . . 21 ALA CA . 15354 1 248 . 1 1 21 21 ALA CB C 13 17.680 0.000 . 1 . . . . 21 ALA CB . 15354 1 249 . 1 1 21 21 ALA N N 15 123.546 0.000 . 1 . . . . 21 ALA N . 15354 1 250 . 1 1 22 22 LEU H H 1 7.539 0.000 . 1 . . . . 22 LEU H . 15354 1 251 . 1 1 22 22 LEU HA H 1 4.224 0.001 . 1 . . . . 22 LEU HA . 15354 1 252 . 1 1 22 22 LEU HB2 H 1 2.174 0.006 . 2 . . . . 22 LEU HB2 . 15354 1 253 . 1 1 22 22 LEU HB3 H 1 1.780 0.001 . 2 . . . . 22 LEU HB3 . 15354 1 254 . 1 1 22 22 LEU HD11 H 1 0.989 0.002 . 2 . . . . 22 LEU QD1 . 15354 1 255 . 1 1 22 22 LEU HD12 H 1 0.989 0.002 . 2 . . . . 22 LEU QD1 . 15354 1 256 . 1 1 22 22 LEU HD13 H 1 0.989 0.002 . 2 . . . . 22 LEU QD1 . 15354 1 257 . 1 1 22 22 LEU HD21 H 1 0.839 0.004 . 2 . . . . 22 LEU QD2 . 15354 1 258 . 1 1 22 22 LEU HD22 H 1 0.839 0.004 . 2 . . . . 22 LEU QD2 . 15354 1 259 . 1 1 22 22 LEU HD23 H 1 0.839 0.004 . 2 . . . . 22 LEU QD2 . 15354 1 260 . 1 1 22 22 LEU HG H 1 1.700 0.000 . 1 . . . . 22 LEU HG . 15354 1 261 . 1 1 22 22 LEU C C 13 178.197 0.000 . 1 . . . . 22 LEU C . 15354 1 262 . 1 1 22 22 LEU CA C 13 58.023 0.000 . 1 . . . . 22 LEU CA . 15354 1 263 . 1 1 22 22 LEU CB C 13 40.737 0.000 . 1 . . . . 22 LEU CB . 15354 1 264 . 1 1 22 22 LEU CD1 C 13 23.092 0.000 . 1 . . . . 22 LEU CD1 . 15354 1 265 . 1 1 22 22 LEU CD2 C 13 26.720 0.000 . 1 . . . . 22 LEU CD2 . 15354 1 266 . 1 1 22 22 LEU CG C 13 28.230 0.000 . 1 . . . . 22 LEU CG . 15354 1 267 . 1 1 22 22 LEU N N 15 120.853 0.000 . 1 . . . . 22 LEU N . 15354 1 268 . 1 1 23 23 LYS H H 1 8.843 0.003 . 1 . . . . 23 LYS H . 15354 1 269 . 1 1 23 23 LYS HA H 1 3.891 0.001 . 1 . . . . 23 LYS HA . 15354 1 270 . 1 1 23 23 LYS HB2 H 1 2.348 0.004 . 2 . . . . 23 LYS HB2 . 15354 1 271 . 1 1 23 23 LYS HB3 H 1 2.702 0.000 . 2 . . . . 23 LYS HB3 . 15354 1 272 . 1 1 23 23 LYS HD2 H 1 1.610 0.000 . 2 . . . . 23 LYS HD2 . 15354 1 273 . 1 1 23 23 LYS HD3 H 1 1.610 0.000 . 2 . . . . 23 LYS HD3 . 15354 1 274 . 1 1 23 23 LYS HE2 H 1 2.963 0.000 . 2 . . . . 23 LYS HE2 . 15354 1 275 . 1 1 23 23 LYS HE3 H 1 2.962 0.000 . 2 . . . . 23 LYS HE3 . 15354 1 276 . 1 1 23 23 LYS HG2 H 1 1.752 0.000 . 2 . . . . 23 LYS HG2 . 15354 1 277 . 1 1 23 23 LYS HG3 H 1 1.396 0.000 . 2 . . . . 23 LYS HG3 . 15354 1 278 . 1 1 23 23 LYS C C 13 178.536 0.000 . 1 . . . . 23 LYS C . 15354 1 279 . 1 1 23 23 LYS CA C 13 60.323 0.000 . 1 . . . . 23 LYS CA . 15354 1 280 . 1 1 23 23 LYS CB C 13 32.220 0.000 . 1 . . . . 23 LYS CB . 15354 1 281 . 1 1 23 23 LYS CD C 13 29.264 0.000 . 1 . . . . 23 LYS CD . 15354 1 282 . 1 1 23 23 LYS CE C 13 41.780 0.000 . 1 . . . . 23 LYS CE . 15354 1 283 . 1 1 23 23 LYS CG C 13 24.910 0.000 . 1 . . . . 23 LYS CG . 15354 1 284 . 1 1 23 23 LYS N N 15 123.031 0.000 . 1 . . . . 23 LYS N . 15354 1 285 . 1 1 24 24 MET H H 1 7.705 0.000 . 1 . . . . 24 MET H . 15354 1 286 . 1 1 24 24 MET HA H 1 4.310 0.003 . 1 . . . . 24 MET HA . 15354 1 287 . 1 1 24 24 MET HB2 H 1 2.250 0.000 . 2 . . . . 24 MET HB2 . 15354 1 288 . 1 1 24 24 MET HB3 H 1 2.277 0.000 . 2 . . . . 24 MET HB3 . 15354 1 289 . 1 1 24 24 MET HG2 H 1 2.768 0.000 . 2 . . . . 24 MET HG2 . 15354 1 290 . 1 1 24 24 MET HG3 H 1 2.698 0.000 . 2 . . . . 24 MET HG3 . 15354 1 291 . 1 1 24 24 MET C C 13 179.073 0.000 . 1 . . . . 24 MET C . 15354 1 292 . 1 1 24 24 MET CA C 13 57.738 0.000 . 1 . . . . 24 MET CA . 15354 1 293 . 1 1 24 24 MET CB C 13 30.593 0.000 . 1 . . . . 24 MET CB . 15354 1 294 . 1 1 24 24 MET CG C 13 31.737 0.000 . 1 . . . . 24 MET CG . 15354 1 295 . 1 1 24 24 MET N N 15 116.748 0.000 . 1 . . . . 24 MET N . 15354 1 296 . 1 1 25 25 ASP H H 1 8.064 0.000 . 1 . . . . 25 ASP H . 15354 1 297 . 1 1 25 25 ASP HA H 1 4.479 0.000 . 1 . . . . 25 ASP HA . 15354 1 298 . 1 1 25 25 ASP HB2 H 1 3.079 0.000 . 2 . . . . 25 ASP HB2 . 15354 1 299 . 1 1 25 25 ASP HB3 H 1 2.718 0.000 . 2 . . . . 25 ASP HB3 . 15354 1 300 . 1 1 25 25 ASP C C 13 179.295 0.000 . 1 . . . . 25 ASP C . 15354 1 301 . 1 1 25 25 ASP CA C 13 58.335 0.000 . 1 . . . . 25 ASP CA . 15354 1 302 . 1 1 25 25 ASP CB C 13 39.150 0.000 . 1 . . . . 25 ASP CB . 15354 1 303 . 1 1 25 25 ASP N N 15 121.088 0.000 . 1 . . . . 25 ASP N . 15354 1 304 . 1 1 26 26 LEU H H 1 9.092 0.000 . 1 . . . . 26 LEU H . 15354 1 305 . 1 1 26 26 LEU HA H 1 4.069 0.002 . 1 . . . . 26 LEU HA . 15354 1 306 . 1 1 26 26 LEU HB2 H 1 2.108 0.000 . 2 . . . . 26 LEU HB2 . 15354 1 307 . 1 1 26 26 LEU HB3 H 1 1.707 0.005 . 2 . . . . 26 LEU HB3 . 15354 1 308 . 1 1 26 26 LEU HD11 H 1 0.990 0.005 . 2 . . . . 26 LEU QD1 . 15354 1 309 . 1 1 26 26 LEU HD12 H 1 0.990 0.005 . 2 . . . . 26 LEU QD1 . 15354 1 310 . 1 1 26 26 LEU HD13 H 1 0.990 0.005 . 2 . . . . 26 LEU QD1 . 15354 1 311 . 1 1 26 26 LEU HD21 H 1 0.986 0.001 . 2 . . . . 26 LEU QD2 . 15354 1 312 . 1 1 26 26 LEU HD22 H 1 0.986 0.001 . 2 . . . . 26 LEU QD2 . 15354 1 313 . 1 1 26 26 LEU HD23 H 1 0.986 0.001 . 2 . . . . 26 LEU QD2 . 15354 1 314 . 1 1 26 26 LEU HG H 1 1.460 0.004 . 1 . . . . 26 LEU HG . 15354 1 315 . 1 1 26 26 LEU C C 13 177.554 0.000 . 1 . . . . 26 LEU C . 15354 1 316 . 1 1 26 26 LEU CA C 13 57.961 0.000 . 1 . . . . 26 LEU CA . 15354 1 317 . 1 1 26 26 LEU CB C 13 42.007 0.000 . 1 . . . . 26 LEU CB . 15354 1 318 . 1 1 26 26 LEU CD1 C 13 22.576 0.000 . 1 . . . . 26 LEU CD1 . 15354 1 319 . 1 1 26 26 LEU CD2 C 13 25.888 0.000 . 1 . . . . 26 LEU CD2 . 15354 1 320 . 1 1 26 26 LEU CG C 13 26.770 0.000 . 1 . . . . 26 LEU CG . 15354 1 321 . 1 1 26 26 LEU N N 15 123.129 0.000 . 1 . . . . 26 LEU N . 15354 1 322 . 1 1 27 27 HIS H H 1 8.806 0.001 . 1 . . . . 27 HIS H . 15354 1 323 . 1 1 27 27 HIS HA H 1 3.820 0.000 . 1 . . . . 27 HIS HA . 15354 1 324 . 1 1 27 27 HIS HB2 H 1 3.275 0.001 . 2 . . . . 27 HIS HB2 . 15354 1 325 . 1 1 27 27 HIS HB3 H 1 3.647 0.000 . 2 . . . . 27 HIS HB3 . 15354 1 326 . 1 1 27 27 HIS HD2 H 1 7.062 0.002 . 1 . . . . 27 HIS HD2 . 15354 1 327 . 1 1 27 27 HIS HE1 H 1 8.080 0.000 . 1 . . . . 27 HIS HE1 . 15354 1 328 . 1 1 27 27 HIS C C 13 176.326 0.000 . 1 . . . . 27 HIS C . 15354 1 329 . 1 1 27 27 HIS CA C 13 60.462 0.000 . 1 . . . . 27 HIS CA . 15354 1 330 . 1 1 27 27 HIS CB C 13 28.202 0.000 . 1 . . . . 27 HIS CB . 15354 1 331 . 1 1 27 27 HIS CD2 C 13 119.840 0.000 . 1 . . . . 27 HIS CD2 . 15354 1 332 . 1 1 27 27 HIS CE1 C 13 136.050 0.000 . 1 . . . . 27 HIS CE1 . 15354 1 333 . 1 1 27 27 HIS N N 15 118.581 0.000 . 1 . . . . 27 HIS N . 15354 1 334 . 1 1 28 28 ASP H H 1 9.024 0.000 . 1 . . . . 28 ASP H . 15354 1 335 . 1 1 28 28 ASP HA H 1 4.287 0.000 . 1 . . . . 28 ASP HA . 15354 1 336 . 1 1 28 28 ASP HB2 H 1 2.788 0.000 . 2 . . . . 28 ASP HB2 . 15354 1 337 . 1 1 28 28 ASP HB3 H 1 2.894 0.000 . 2 . . . . 28 ASP HB3 . 15354 1 338 . 1 1 28 28 ASP C C 13 177.928 0.000 . 1 . . . . 28 ASP C . 15354 1 339 . 1 1 28 28 ASP CA C 13 56.789 0.000 . 1 . . . . 28 ASP CA . 15354 1 340 . 1 1 28 28 ASP CB C 13 39.169 0.000 . 1 . . . . 28 ASP CB . 15354 1 341 . 1 1 28 28 ASP N N 15 120.187 0.000 . 1 . . . . 28 ASP N . 15354 1 342 . 1 1 29 29 LEU H H 1 8.147 0.000 . 1 . . . . 29 LEU H . 15354 1 343 . 1 1 29 29 LEU HA H 1 4.118 0.005 . 1 . . . . 29 LEU HA . 15354 1 344 . 1 1 29 29 LEU HB2 H 1 1.727 0.000 . 2 . . . . 29 LEU HB2 . 15354 1 345 . 1 1 29 29 LEU HB3 H 1 1.952 0.000 . 2 . . . . 29 LEU HB3 . 15354 1 346 . 1 1 29 29 LEU HD11 H 1 0.947 0.002 . 2 . . . . 29 LEU QD1 . 15354 1 347 . 1 1 29 29 LEU HD12 H 1 0.947 0.002 . 2 . . . . 29 LEU QD1 . 15354 1 348 . 1 1 29 29 LEU HD13 H 1 0.947 0.002 . 2 . . . . 29 LEU QD1 . 15354 1 349 . 1 1 29 29 LEU HD21 H 1 0.841 0.003 . 2 . . . . 29 LEU QD2 . 15354 1 350 . 1 1 29 29 LEU HD22 H 1 0.841 0.003 . 2 . . . . 29 LEU QD2 . 15354 1 351 . 1 1 29 29 LEU HD23 H 1 0.841 0.003 . 2 . . . . 29 LEU QD2 . 15354 1 352 . 1 1 29 29 LEU HG H 1 1.476 0.004 . 1 . . . . 29 LEU HG . 15354 1 353 . 1 1 29 29 LEU C C 13 179.237 0.000 . 1 . . . . 29 LEU C . 15354 1 354 . 1 1 29 29 LEU CA C 13 57.931 0.000 . 1 . . . . 29 LEU CA . 15354 1 355 . 1 1 29 29 LEU CB C 13 41.810 0.000 . 1 . . . . 29 LEU CB . 15354 1 356 . 1 1 29 29 LEU CD1 C 13 24.080 0.000 . 1 . . . . 29 LEU CD1 . 15354 1 357 . 1 1 29 29 LEU CD2 C 13 26.881 0.016 . 1 . . . . 29 LEU CD2 . 15354 1 358 . 1 1 29 29 LEU CG C 13 27.214 0.000 . 1 . . . . 29 LEU CG . 15354 1 359 . 1 1 29 29 LEU N N 15 121.454 0.000 . 1 . . . . 29 LEU N . 15354 1 360 . 1 1 30 30 ALA H H 1 8.347 0.000 . 1 . . . . 30 ALA H . 15354 1 361 . 1 1 30 30 ALA HA H 1 3.926 0.000 . 1 . . . . 30 ALA HA . 15354 1 362 . 1 1 30 30 ALA HB1 H 1 1.477 0.000 . 1 . . . . 30 ALA QB . 15354 1 363 . 1 1 30 30 ALA HB2 H 1 1.477 0.000 . 1 . . . . 30 ALA QB . 15354 1 364 . 1 1 30 30 ALA HB3 H 1 1.477 0.000 . 1 . . . . 30 ALA QB . 15354 1 365 . 1 1 30 30 ALA C C 13 178.921 0.000 . 1 . . . . 30 ALA C . 15354 1 366 . 1 1 30 30 ALA CA C 13 55.027 0.000 . 1 . . . . 30 ALA CA . 15354 1 367 . 1 1 30 30 ALA CB C 13 17.013 0.000 . 1 . . . . 30 ALA CB . 15354 1 368 . 1 1 30 30 ALA N N 15 118.598 0.000 . 1 . . . . 30 ALA N . 15354 1 369 . 1 1 31 31 GLU H H 1 7.746 0.000 . 1 . . . . 31 GLU H . 15354 1 370 . 1 1 31 31 GLU HA H 1 3.888 0.000 . 1 . . . . 31 GLU HA . 15354 1 371 . 1 1 31 31 GLU HB2 H 1 2.081 0.003 . 2 . . . . 31 GLU HB2 . 15354 1 372 . 1 1 31 31 GLU HB3 H 1 2.069 0.000 . 2 . . . . 31 GLU HB3 . 15354 1 373 . 1 1 31 31 GLU HG2 H 1 2.321 0.000 . 2 . . . . 31 GLU HG2 . 15354 1 374 . 1 1 31 31 GLU HG3 H 1 2.323 0.000 . 2 . . . . 31 GLU HG3 . 15354 1 375 . 1 1 31 31 GLU C C 13 177.109 0.000 . 1 . . . . 31 GLU C . 15354 1 376 . 1 1 31 31 GLU CA C 13 58.584 0.000 . 1 . . . . 31 GLU CA . 15354 1 377 . 1 1 31 31 GLU CB C 13 29.166 0.000 . 1 . . . . 31 GLU CB . 15354 1 378 . 1 1 31 31 GLU CG C 13 34.645 0.000 . 1 . . . . 31 GLU CG . 15354 1 379 . 1 1 31 31 GLU N N 15 114.050 0.000 . 1 . . . . 31 GLU N . 15354 1 380 . 1 1 32 32 ASP H H 1 7.376 0.003 . 1 . . . . 32 ASP H . 15354 1 381 . 1 1 32 32 ASP HA H 1 4.743 0.000 . 1 . . . . 32 ASP HA . 15354 1 382 . 1 1 32 32 ASP HB2 H 1 2.899 0.006 . 2 . . . . 32 ASP HB2 . 15354 1 383 . 1 1 32 32 ASP HB3 H 1 2.899 0.000 . 2 . . . . 32 ASP HB3 . 15354 1 384 . 1 1 32 32 ASP C C 13 176.548 0.000 . 1 . . . . 32 ASP C . 15354 1 385 . 1 1 32 32 ASP CA C 13 53.889 0.000 . 1 . . . . 32 ASP CA . 15354 1 386 . 1 1 32 32 ASP CB C 13 40.207 0.000 . 1 . . . . 32 ASP CB . 15354 1 387 . 1 1 32 32 ASP N N 15 116.424 0.000 . 1 . . . . 32 ASP N . 15354 1 388 . 1 1 33 33 LEU H H 1 7.234 0.000 . 1 . . . . 33 LEU H . 15354 1 389 . 1 1 33 33 LEU HA H 1 4.016 0.000 . 1 . . . . 33 LEU HA . 15354 1 390 . 1 1 33 33 LEU HB2 H 1 2.314 0.005 . 2 . . . . 33 LEU HB2 . 15354 1 391 . 1 1 33 33 LEU HB3 H 1 1.588 0.000 . 2 . . . . 33 LEU HB3 . 15354 1 392 . 1 1 33 33 LEU HD11 H 1 0.876 0.000 . 2 . . . . 33 LEU QD1 . 15354 1 393 . 1 1 33 33 LEU HD12 H 1 0.876 0.000 . 2 . . . . 33 LEU QD1 . 15354 1 394 . 1 1 33 33 LEU HD13 H 1 0.876 0.000 . 2 . . . . 33 LEU QD1 . 15354 1 395 . 1 1 33 33 LEU HD21 H 1 0.415 0.000 . 2 . . . . 33 LEU QD2 . 15354 1 396 . 1 1 33 33 LEU HD22 H 1 0.415 0.000 . 2 . . . . 33 LEU QD2 . 15354 1 397 . 1 1 33 33 LEU HD23 H 1 0.415 0.000 . 2 . . . . 33 LEU QD2 . 15354 1 398 . 1 1 33 33 LEU HG H 1 1.468 0.000 . 1 . . . . 33 LEU HG . 15354 1 399 . 1 1 33 33 LEU CA C 13 54.702 0.000 . 1 . . . . 33 LEU CA . 15354 1 400 . 1 1 33 33 LEU CB C 13 39.255 0.000 . 1 . . . . 33 LEU CB . 15354 1 401 . 1 1 33 33 LEU CD1 C 13 25.466 0.000 . 1 . . . . 33 LEU CD1 . 15354 1 402 . 1 1 33 33 LEU CD2 C 13 22.215 0.000 . 1 . . . . 33 LEU CD2 . 15354 1 403 . 1 1 33 33 LEU CG C 13 26.770 0.000 . 1 . . . . 33 LEU CG . 15354 1 404 . 1 1 33 33 LEU N N 15 119.935 0.000 . 1 . . . . 33 LEU N . 15354 1 405 . 1 1 34 34 PRO HA H 1 3.692 0.004 . 1 . . . . 34 PRO HA . 15354 1 406 . 1 1 34 34 PRO HB2 H 1 2.529 0.000 . 2 . . . . 34 PRO HB2 . 15354 1 407 . 1 1 34 34 PRO HB3 H 1 2.469 0.000 . 2 . . . . 34 PRO HB3 . 15354 1 408 . 1 1 34 34 PRO HD2 H 1 3.782 0.000 . 2 . . . . 34 PRO HD2 . 15354 1 409 . 1 1 34 34 PRO HD3 H 1 3.624 0.000 . 2 . . . . 34 PRO HD3 . 15354 1 410 . 1 1 34 34 PRO HG2 H 1 1.978 0.000 . 2 . . . . 34 PRO HG2 . 15354 1 411 . 1 1 34 34 PRO HG3 H 1 2.134 0.000 . 2 . . . . 34 PRO HG3 . 15354 1 412 . 1 1 34 34 PRO C C 13 176.174 0.000 . 1 . . . . 34 PRO C . 15354 1 413 . 1 1 34 34 PRO CA C 13 63.493 0.000 . 1 . . . . 34 PRO CA . 15354 1 414 . 1 1 34 34 PRO CB C 13 35.779 0.000 . 1 . . . . 34 PRO CB . 15354 1 415 . 1 1 34 34 PRO CD C 13 50.965 0.000 . 1 . . . . 34 PRO CD . 15354 1 416 . 1 1 34 34 PRO CG C 13 24.568 0.000 . 1 . . . . 34 PRO CG . 15354 1 417 . 1 1 35 35 THR H H 1 8.479 0.003 . 1 . . . . 35 THR H . 15354 1 418 . 1 1 35 35 THR HA H 1 4.049 0.000 . 1 . . . . 35 THR HA . 15354 1 419 . 1 1 35 35 THR HB H 1 4.064 0.000 . 1 . . . . 35 THR HB . 15354 1 420 . 1 1 35 35 THR HG21 H 1 1.209 0.000 . 1 . . . . 35 THR QG2 . 15354 1 421 . 1 1 35 35 THR HG22 H 1 1.209 0.000 . 1 . . . . 35 THR QG2 . 15354 1 422 . 1 1 35 35 THR HG23 H 1 1.209 0.000 . 1 . . . . 35 THR QG2 . 15354 1 423 . 1 1 35 35 THR C C 13 175.368 0.000 . 1 . . . . 35 THR C . 15354 1 424 . 1 1 35 35 THR CA C 13 65.524 0.000 . 1 . . . . 35 THR CA . 15354 1 425 . 1 1 35 35 THR CB C 13 68.108 0.000 . 1 . . . . 35 THR CB . 15354 1 426 . 1 1 35 35 THR CG2 C 13 21.783 0.000 . 1 . . . . 35 THR CG2 . 15354 1 427 . 1 1 35 35 THR N N 15 124.322 0.000 . 1 . . . . 35 THR N . 15354 1 428 . 1 1 36 36 GLY H H 1 9.021 0.007 . 1 . . . . 36 GLY H . 15354 1 429 . 1 1 36 36 GLY HA2 H 1 4.001 0.005 . 2 . . . . 36 GLY HA2 . 15354 1 430 . 1 1 36 36 GLY HA3 H 1 3.631 0.008 . 2 . . . . 36 GLY HA3 . 15354 1 431 . 1 1 36 36 GLY C C 13 176.373 0.000 . 1 . . . . 36 GLY C . 15354 1 432 . 1 1 36 36 GLY CA C 13 45.757 0.000 . 1 . . . . 36 GLY CA . 15354 1 433 . 1 1 36 36 GLY N N 15 113.291 0.000 . 1 . . . . 36 GLY N . 15354 1 434 . 1 1 37 37 TRP H H 1 7.833 0.000 . 1 . . . . 37 TRP H . 15354 1 435 . 1 1 37 37 TRP HA H 1 3.934 0.002 . 1 . . . . 37 TRP HA . 15354 1 436 . 1 1 37 37 TRP HB2 H 1 3.197 0.002 . 2 . . . . 37 TRP HB2 . 15354 1 437 . 1 1 37 37 TRP HB3 H 1 2.895 0.000 . 2 . . . . 37 TRP HB3 . 15354 1 438 . 1 1 37 37 TRP HD1 H 1 7.894 0.000 . 1 . . . . 37 TRP HD1 . 15354 1 439 . 1 1 37 37 TRP HE1 H 1 10.239 0.000 . 1 . . . . 37 TRP HE1 . 15354 1 440 . 1 1 37 37 TRP HE3 H 1 7.172 0.000 . 1 . . . . 37 TRP HE3 . 15354 1 441 . 1 1 37 37 TRP HH2 H 1 7.270 0.000 . 1 . . . . 37 TRP HH2 . 15354 1 442 . 1 1 37 37 TRP HZ2 H 1 7.420 0.000 . 1 . . . . 37 TRP HZ2 . 15354 1 443 . 1 1 37 37 TRP HZ3 H 1 6.680 0.000 . 1 . . . . 37 TRP HZ3 . 15354 1 444 . 1 1 37 37 TRP C C 13 176.502 0.000 . 1 . . . . 37 TRP C . 15354 1 445 . 1 1 37 37 TRP CA C 13 58.848 0.000 . 1 . . . . 37 TRP CA . 15354 1 446 . 1 1 37 37 TRP CB C 13 27.224 0.000 . 1 . . . . 37 TRP CB . 15354 1 447 . 1 1 37 37 TRP CD1 C 13 128.131 0.000 . 1 . . . . 37 TRP CD1 . 15354 1 448 . 1 1 37 37 TRP CE3 C 13 120.380 0.000 . 1 . . . . 37 TRP CE3 . 15354 1 449 . 1 1 37 37 TRP CH2 C 13 131.243 0.000 . 1 . . . . 37 TRP CH2 . 15354 1 450 . 1 1 37 37 TRP CZ2 C 13 114.190 0.000 . 1 . . . . 37 TRP CZ2 . 15354 1 451 . 1 1 37 37 TRP CZ3 C 13 121.570 0.000 . 1 . . . . 37 TRP CZ3 . 15354 1 452 . 1 1 37 37 TRP N N 15 118.718 0.000 . 1 . . . . 37 TRP N . 15354 1 453 . 1 1 38 38 ASN H H 1 7.334 0.000 . 1 . . . . 38 ASN H . 15354 1 454 . 1 1 38 38 ASN HA H 1 3.907 0.000 . 1 . . . . 38 ASN HA . 15354 1 455 . 1 1 38 38 ASN HB2 H 1 1.513 0.004 . 2 . . . . 38 ASN HB2 . 15354 1 456 . 1 1 38 38 ASN HB3 H 1 2.317 0.006 . 2 . . . . 38 ASN HB3 . 15354 1 457 . 1 1 38 38 ASN HD21 H 1 7.243 0.000 . 2 . . . . 38 ASN HD21 . 15354 1 458 . 1 1 38 38 ASN HD22 H 1 6.434 0.000 . 2 . . . . 38 ASN HD22 . 15354 1 459 . 1 1 38 38 ASN C C 13 176.280 0.000 . 1 . . . . 38 ASN C . 15354 1 460 . 1 1 38 38 ASN CA C 13 54.925 0.000 . 1 . . . . 38 ASN CA . 15354 1 461 . 1 1 38 38 ASN CB C 13 36.509 0.000 . 1 . . . . 38 ASN CB . 15354 1 462 . 1 1 38 38 ASN N N 15 115.668 0.000 . 1 . . . . 38 ASN N . 15354 1 463 . 1 1 38 38 ASN ND2 N 15 112.723 0.000 . 1 . . . . 38 ASN ND2 . 15354 1 464 . 1 1 39 39 ARG H H 1 8.184 0.000 . 1 . . . . 39 ARG H . 15354 1 465 . 1 1 39 39 ARG HA H 1 4.529 0.000 . 1 . . . . 39 ARG HA . 15354 1 466 . 1 1 39 39 ARG HB2 H 1 1.998 0.000 . 2 . . . . 39 ARG HB2 . 15354 1 467 . 1 1 39 39 ARG HB3 H 1 1.836 0.009 . 2 . . . . 39 ARG HB3 . 15354 1 468 . 1 1 39 39 ARG HD2 H 1 3.122 0.000 . 2 . . . . 39 ARG HD2 . 15354 1 469 . 1 1 39 39 ARG HD3 H 1 3.176 0.004 . 2 . . . . 39 ARG HD3 . 15354 1 470 . 1 1 39 39 ARG HG2 H 1 1.502 0.000 . 2 . . . . 39 ARG HG2 . 15354 1 471 . 1 1 39 39 ARG HG3 H 1 1.491 0.000 . 2 . . . . 39 ARG HG3 . 15354 1 472 . 1 1 39 39 ARG C C 13 176.361 0.000 . 1 . . . . 39 ARG C . 15354 1 473 . 1 1 39 39 ARG CA C 13 55.914 0.000 . 1 . . . . 39 ARG CA . 15354 1 474 . 1 1 39 39 ARG CB C 13 30.952 0.000 . 1 . . . . 39 ARG CB . 15354 1 475 . 1 1 39 39 ARG CD C 13 43.323 0.000 . 1 . . . . 39 ARG CD . 15354 1 476 . 1 1 39 39 ARG CG C 13 27.632 0.000 . 1 . . . . 39 ARG CG . 15354 1 477 . 1 1 39 39 ARG N N 15 118.718 0.000 . 1 . . . . 39 ARG N . 15354 1 478 . 1 1 40 40 ILE H H 1 7.631 0.001 . 1 . . . . 40 ILE H . 15354 1 479 . 1 1 40 40 ILE HA H 1 3.488 0.002 . 1 . . . . 40 ILE HA . 15354 1 480 . 1 1 40 40 ILE HB H 1 1.881 0.000 . 1 . . . . 40 ILE HB . 15354 1 481 . 1 1 40 40 ILE HD11 H 1 1.328 0.000 . 1 . . . . 40 ILE QD1 . 15354 1 482 . 1 1 40 40 ILE HD12 H 1 1.328 0.000 . 1 . . . . 40 ILE QD1 . 15354 1 483 . 1 1 40 40 ILE HD13 H 1 1.328 0.000 . 1 . . . . 40 ILE QD1 . 15354 1 484 . 1 1 40 40 ILE HG12 H 1 2.177 0.004 . 2 . . . . 40 ILE HG12 . 15354 1 485 . 1 1 40 40 ILE HG13 H 1 2.175 0.000 . 2 . . . . 40 ILE HG13 . 15354 1 486 . 1 1 40 40 ILE HG21 H 1 1.077 0.000 . 1 . . . . 40 ILE QG2 . 15354 1 487 . 1 1 40 40 ILE HG22 H 1 1.077 0.000 . 1 . . . . 40 ILE QG2 . 15354 1 488 . 1 1 40 40 ILE HG23 H 1 1.077 0.000 . 1 . . . . 40 ILE QG2 . 15354 1 489 . 1 1 40 40 ILE C C 13 176.876 0.000 . 1 . . . . 40 ILE C . 15354 1 490 . 1 1 40 40 ILE CA C 13 66.260 0.000 . 1 . . . . 40 ILE CA . 15354 1 491 . 1 1 40 40 ILE CB C 13 40.072 0.000 . 1 . . . . 40 ILE CB . 15354 1 492 . 1 1 40 40 ILE CD1 C 13 14.860 0.000 . 1 . . . . 40 ILE CD1 . 15354 1 493 . 1 1 40 40 ILE CG1 C 13 30.799 0.000 . 1 . . . . 40 ILE CG1 . 15354 1 494 . 1 1 40 40 ILE CG2 C 13 18.499 0.000 . 1 . . . . 40 ILE CG2 . 15354 1 495 . 1 1 40 40 ILE N N 15 117.612 0.000 . 1 . . . . 40 ILE N . 15354 1 496 . 1 1 41 41 MET H H 1 7.958 0.000 . 1 . . . . 41 MET H . 15354 1 497 . 1 1 41 41 MET HA H 1 4.377 0.000 . 1 . . . . 41 MET HA . 15354 1 498 . 1 1 41 41 MET HB2 H 1 2.325 0.002 . 2 . . . . 41 MET HB2 . 15354 1 499 . 1 1 41 41 MET HB3 H 1 1.671 0.001 . 2 . . . . 41 MET HB3 . 15354 1 500 . 1 1 41 41 MET HE1 H 1 1.939 0.000 . 1 . . . . 41 MET QE . 15354 1 501 . 1 1 41 41 MET HE2 H 1 1.939 0.000 . 1 . . . . 41 MET QE . 15354 1 502 . 1 1 41 41 MET HE3 H 1 1.939 0.000 . 1 . . . . 41 MET QE . 15354 1 503 . 1 1 41 41 MET HG2 H 1 2.070 0.000 . 2 . . . . 41 MET HG2 . 15354 1 504 . 1 1 41 41 MET HG3 H 1 1.917 0.000 . 2 . . . . 41 MET HG3 . 15354 1 505 . 1 1 41 41 MET C C 13 179.097 0.000 . 1 . . . . 41 MET C . 15354 1 506 . 1 1 41 41 MET CA C 13 56.267 0.000 . 1 . . . . 41 MET CA . 15354 1 507 . 1 1 41 41 MET CB C 13 30.631 0.000 . 1 . . . . 41 MET CB . 15354 1 508 . 1 1 41 41 MET CE C 13 15.270 0.000 . 1 . . . . 41 MET CE . 15354 1 509 . 1 1 41 41 MET CG C 13 30.090 0.000 . 1 . . . . 41 MET CG . 15354 1 510 . 1 1 41 41 MET N N 15 112.427 0.000 . 1 . . . . 41 MET N . 15354 1 511 . 1 1 42 42 GLU H H 1 7.879 0.000 . 1 . . . . 42 GLU H . 15354 1 512 . 1 1 42 42 GLU HA H 1 4.087 0.000 . 1 . . . . 42 GLU HA . 15354 1 513 . 1 1 42 42 GLU HB2 H 1 2.060 0.000 . 2 . . . . 42 GLU HB2 . 15354 1 514 . 1 1 42 42 GLU HB3 H 1 2.151 0.002 . 2 . . . . 42 GLU HB3 . 15354 1 515 . 1 1 42 42 GLU HG2 H 1 2.225 0.000 . 2 . . . . 42 GLU HG2 . 15354 1 516 . 1 1 42 42 GLU HG3 H 1 2.388 0.002 . 2 . . . . 42 GLU HG3 . 15354 1 517 . 1 1 42 42 GLU C C 13 178.886 0.000 . 1 . . . . 42 GLU C . 15354 1 518 . 1 1 42 42 GLU CA C 13 59.214 0.000 . 1 . . . . 42 GLU CA . 15354 1 519 . 1 1 42 42 GLU CB C 13 29.070 0.000 . 1 . . . . 42 GLU CB . 15354 1 520 . 1 1 42 42 GLU CG C 13 35.318 0.000 . 1 . . . . 42 GLU CG . 15354 1 521 . 1 1 42 42 GLU N N 15 121.679 0.000 . 1 . . . . 42 GLU N . 15354 1 522 . 1 1 43 43 VAL H H 1 7.824 0.000 . 1 . . . . 43 VAL H . 15354 1 523 . 1 1 43 43 VAL HA H 1 3.685 0.000 . 1 . . . . 43 VAL HA . 15354 1 524 . 1 1 43 43 VAL HB H 1 1.874 0.000 . 1 . . . . 43 VAL HB . 15354 1 525 . 1 1 43 43 VAL HG11 H 1 1.074 0.001 . 2 . . . . 43 VAL QG1 . 15354 1 526 . 1 1 43 43 VAL HG12 H 1 1.074 0.001 . 2 . . . . 43 VAL QG1 . 15354 1 527 . 1 1 43 43 VAL HG13 H 1 1.074 0.001 . 2 . . . . 43 VAL QG1 . 15354 1 528 . 1 1 43 43 VAL HG21 H 1 0.884 0.005 . 2 . . . . 43 VAL QG2 . 15354 1 529 . 1 1 43 43 VAL HG22 H 1 0.884 0.005 . 2 . . . . 43 VAL QG2 . 15354 1 530 . 1 1 43 43 VAL HG23 H 1 0.884 0.005 . 2 . . . . 43 VAL QG2 . 15354 1 531 . 1 1 43 43 VAL C C 13 179.588 0.000 . 1 . . . . 43 VAL C . 15354 1 532 . 1 1 43 43 VAL CA C 13 66.091 0.000 . 1 . . . . 43 VAL CA . 15354 1 533 . 1 1 43 43 VAL CB C 13 32.103 0.000 . 1 . . . . 43 VAL CB . 15354 1 534 . 1 1 43 43 VAL CG1 C 13 22.936 0.000 . 1 . . . . 43 VAL CG1 . 15354 1 535 . 1 1 43 43 VAL CG2 C 13 20.896 0.000 . 1 . . . . 43 VAL CG2 . 15354 1 536 . 1 1 43 43 VAL N N 15 118.465 0.000 . 1 . . . . 43 VAL N . 15354 1 537 . 1 1 44 44 ALA H H 1 9.084 0.003 . 1 . . . . 44 ALA H . 15354 1 538 . 1 1 44 44 ALA HA H 1 3.916 0.001 . 1 . . . . 44 ALA HA . 15354 1 539 . 1 1 44 44 ALA HB1 H 1 1.461 0.001 . 1 . . . . 44 ALA QB . 15354 1 540 . 1 1 44 44 ALA HB2 H 1 1.461 0.001 . 1 . . . . 44 ALA QB . 15354 1 541 . 1 1 44 44 ALA HB3 H 1 1.461 0.001 . 1 . . . . 44 ALA QB . 15354 1 542 . 1 1 44 44 ALA C C 13 178.150 0.000 . 1 . . . . 44 ALA C . 15354 1 543 . 1 1 44 44 ALA CA C 13 56.370 0.000 . 1 . . . . 44 ALA CA . 15354 1 544 . 1 1 44 44 ALA CB C 13 18.910 0.014 . 1 . . . . 44 ALA CB . 15354 1 545 . 1 1 44 44 ALA N N 15 124.158 0.000 . 1 . . . . 44 ALA N . 15354 1 546 . 1 1 45 45 GLU H H 1 8.565 0.000 . 1 . . . . 45 GLU H . 15354 1 547 . 1 1 45 45 GLU HA H 1 4.525 0.000 . 1 . . . . 45 GLU HA . 15354 1 548 . 1 1 45 45 GLU HB2 H 1 2.175 0.000 . 2 . . . . 45 GLU HB2 . 15354 1 549 . 1 1 45 45 GLU HB3 H 1 2.269 0.000 . 2 . . . . 45 GLU HB3 . 15354 1 550 . 1 1 45 45 GLU HG2 H 1 2.576 0.000 . 2 . . . . 45 GLU HG2 . 15354 1 551 . 1 1 45 45 GLU HG3 H 1 2.576 0.000 . 2 . . . . 45 GLU HG3 . 15354 1 552 . 1 1 45 45 GLU C C 13 179.062 0.000 . 1 . . . . 45 GLU C . 15354 1 553 . 1 1 45 45 GLU CA C 13 59.904 0.000 . 1 . . . . 45 GLU CA . 15354 1 554 . 1 1 45 45 GLU CB C 13 28.230 0.000 . 1 . . . . 45 GLU CB . 15354 1 555 . 1 1 45 45 GLU CG C 13 34.297 0.000 . 1 . . . . 45 GLU CG . 15354 1 556 . 1 1 45 45 GLU N N 15 117.461 0.000 . 1 . . . . 45 GLU N . 15354 1 557 . 1 1 46 46 LYS H H 1 7.497 0.000 . 1 . . . . 46 LYS H . 15354 1 558 . 1 1 46 46 LYS HA H 1 4.090 0.002 . 1 . . . . 46 LYS HA . 15354 1 559 . 1 1 46 46 LYS HB2 H 1 1.972 0.003 . 2 . . . . 46 LYS HB2 . 15354 1 560 . 1 1 46 46 LYS HB3 H 1 1.993 0.000 . 2 . . . . 46 LYS HB3 . 15354 1 561 . 1 1 46 46 LYS HD2 H 1 1.725 0.000 . 2 . . . . 46 LYS HD2 . 15354 1 562 . 1 1 46 46 LYS HD3 H 1 1.716 0.000 . 2 . . . . 46 LYS HD3 . 15354 1 563 . 1 1 46 46 LYS HE2 H 1 2.974 0.000 . 2 . . . . 46 LYS HE2 . 15354 1 564 . 1 1 46 46 LYS HE3 H 1 2.978 0.004 . 2 . . . . 46 LYS HE3 . 15354 1 565 . 1 1 46 46 LYS HG2 H 1 1.587 0.000 . 2 . . . . 46 LYS HG2 . 15354 1 566 . 1 1 46 46 LYS HG3 H 1 1.835 0.000 . 2 . . . . 46 LYS HG3 . 15354 1 567 . 1 1 46 46 LYS C C 13 179.705 0.000 . 1 . . . . 46 LYS C . 15354 1 568 . 1 1 46 46 LYS CA C 13 59.705 0.000 . 1 . . . . 46 LYS CA . 15354 1 569 . 1 1 46 46 LYS CB C 13 32.848 0.000 . 1 . . . . 46 LYS CB . 15354 1 570 . 1 1 46 46 LYS CD C 13 29.377 0.000 . 1 . . . . 46 LYS CD . 15354 1 571 . 1 1 46 46 LYS CE C 13 41.972 0.000 . 1 . . . . 46 LYS CE . 15354 1 572 . 1 1 46 46 LYS CG C 13 25.720 0.000 . 1 . . . . 46 LYS CG . 15354 1 573 . 1 1 46 46 LYS N N 15 117.666 0.000 . 1 . . . . 46 LYS N . 15354 1 574 . 1 1 47 47 THR H H 1 8.376 0.000 . 1 . . . . 47 THR H . 15354 1 575 . 1 1 47 47 THR HA H 1 3.977 0.002 . 1 . . . . 47 THR HA . 15354 1 576 . 1 1 47 47 THR HB H 1 4.463 0.008 . 1 . . . . 47 THR HB . 15354 1 577 . 1 1 47 47 THR HG21 H 1 1.396 0.004 . 1 . . . . 47 THR QG2 . 15354 1 578 . 1 1 47 47 THR HG22 H 1 1.396 0.004 . 1 . . . . 47 THR QG2 . 15354 1 579 . 1 1 47 47 THR HG23 H 1 1.396 0.004 . 1 . . . . 47 THR QG2 . 15354 1 580 . 1 1 47 47 THR C C 13 175.531 0.000 . 1 . . . . 47 THR C . 15354 1 581 . 1 1 47 47 THR CA C 13 68.209 0.000 . 1 . . . . 47 THR CA . 15354 1 582 . 1 1 47 47 THR CB C 13 68.188 0.000 . 1 . . . . 47 THR CB . 15354 1 583 . 1 1 47 47 THR CG2 C 13 21.567 0.000 . 1 . . . . 47 THR CG2 . 15354 1 584 . 1 1 47 47 THR N N 15 118.570 0.000 . 1 . . . . 47 THR N . 15354 1 585 . 1 1 48 48 TYR H H 1 9.357 0.000 . 1 . . . . 48 TYR H . 15354 1 586 . 1 1 48 48 TYR HA H 1 4.388 0.000 . 1 . . . . 48 TYR HA . 15354 1 587 . 1 1 48 48 TYR HB2 H 1 3.366 0.000 . 2 . . . . 48 TYR HB2 . 15354 1 588 . 1 1 48 48 TYR HB3 H 1 3.105 0.000 . 2 . . . . 48 TYR HB3 . 15354 1 589 . 1 1 48 48 TYR HD1 H 1 7.516 0.002 . 1 . . . . 48 TYR HD1 . 15354 1 590 . 1 1 48 48 TYR HD2 H 1 7.516 0.002 . 1 . . . . 48 TYR HD2 . 15354 1 591 . 1 1 48 48 TYR HE1 H 1 7.016 0.003 . 1 . . . . 48 TYR HE1 . 15354 1 592 . 1 1 48 48 TYR HE2 H 1 7.016 0.003 . 1 . . . . 48 TYR HE2 . 15354 1 593 . 1 1 48 48 TYR C C 13 176.490 0.000 . 1 . . . . 48 TYR C . 15354 1 594 . 1 1 48 48 TYR CA C 13 62.368 0.000 . 1 . . . . 48 TYR CA . 15354 1 595 . 1 1 48 48 TYR CB C 13 38.788 0.000 . 1 . . . . 48 TYR CB . 15354 1 596 . 1 1 48 48 TYR CD1 C 13 133.457 0.000 . 1 . . . . 48 TYR CD1 . 15354 1 597 . 1 1 48 48 TYR CE1 C 13 118.343 0.000 . 1 . . . . 48 TYR CE1 . 15354 1 598 . 1 1 48 48 TYR N N 15 122.434 0.000 . 1 . . . . 48 TYR N . 15354 1 599 . 1 1 49 49 GLU H H 1 8.574 0.000 . 1 . . . . 49 GLU H . 15354 1 600 . 1 1 49 49 GLU HA H 1 3.965 0.000 . 1 . . . . 49 GLU HA . 15354 1 601 . 1 1 49 49 GLU HB2 H 1 2.204 0.004 . 2 . . . . 49 GLU HB2 . 15354 1 602 . 1 1 49 49 GLU HB3 H 1 2.062 0.000 . 2 . . . . 49 GLU HB3 . 15354 1 603 . 1 1 49 49 GLU HG2 H 1 2.567 0.000 . 2 . . . . 49 GLU HG2 . 15354 1 604 . 1 1 49 49 GLU HG3 H 1 2.569 0.000 . 2 . . . . 49 GLU HG3 . 15354 1 605 . 1 1 49 49 GLU C C 13 178.454 0.000 . 1 . . . . 49 GLU C . 15354 1 606 . 1 1 49 49 GLU CA C 13 58.584 0.000 . 1 . . . . 49 GLU CA . 15354 1 607 . 1 1 49 49 GLU CB C 13 28.573 0.000 . 1 . . . . 49 GLU CB . 15354 1 608 . 1 1 49 49 GLU CG C 13 35.045 0.000 . 1 . . . . 49 GLU CG . 15354 1 609 . 1 1 49 49 GLU N N 15 117.597 0.000 . 1 . . . . 49 GLU N . 15354 1 610 . 1 1 50 50 ALA H H 1 7.882 0.000 . 1 . . . . 50 ALA H . 15354 1 611 . 1 1 50 50 ALA HA H 1 3.995 0.000 . 1 . . . . 50 ALA HA . 15354 1 612 . 1 1 50 50 ALA HB1 H 1 1.348 0.006 . 1 . . . . 50 ALA QB . 15354 1 613 . 1 1 50 50 ALA HB2 H 1 1.348 0.006 . 1 . . . . 50 ALA QB . 15354 1 614 . 1 1 50 50 ALA HB3 H 1 1.348 0.006 . 1 . . . . 50 ALA QB . 15354 1 615 . 1 1 50 50 ALA C C 13 181.481 0.000 . 1 . . . . 50 ALA C . 15354 1 616 . 1 1 50 50 ALA CA C 13 55.084 0.000 . 1 . . . . 50 ALA CA . 15354 1 617 . 1 1 50 50 ALA CB C 13 18.230 0.000 . 1 . . . . 50 ALA CB . 15354 1 618 . 1 1 50 50 ALA N N 15 121.232 0.000 . 1 . . . . 50 ALA N . 15354 1 619 . 1 1 51 51 TYR H H 1 8.052 0.000 . 1 . . . . 51 TYR H . 15354 1 620 . 1 1 51 51 TYR HA H 1 3.683 0.000 . 1 . . . . 51 TYR HA . 15354 1 621 . 1 1 51 51 TYR HB2 H 1 2.643 0.001 . 2 . . . . 51 TYR HB2 . 15354 1 622 . 1 1 51 51 TYR HB3 H 1 2.289 0.000 . 2 . . . . 51 TYR HB3 . 15354 1 623 . 1 1 51 51 TYR HD1 H 1 7.316 0.001 . 1 . . . . 51 TYR HD1 . 15354 1 624 . 1 1 51 51 TYR HD2 H 1 7.316 0.001 . 1 . . . . 51 TYR HD2 . 15354 1 625 . 1 1 51 51 TYR HE1 H 1 6.610 0.005 . 1 . . . . 51 TYR HE1 . 15354 1 626 . 1 1 51 51 TYR HE2 H 1 6.610 0.005 . 1 . . . . 51 TYR HE2 . 15354 1 627 . 1 1 51 51 TYR C C 13 177.752 0.000 . 1 . . . . 51 TYR C . 15354 1 628 . 1 1 51 51 TYR CA C 13 63.994 0.000 . 1 . . . . 51 TYR CA . 15354 1 629 . 1 1 51 51 TYR CB C 13 37.535 0.000 . 1 . . . . 51 TYR CB . 15354 1 630 . 1 1 51 51 TYR CD1 C 13 132.301 0.000 . 1 . . . . 51 TYR CD1 . 15354 1 631 . 1 1 51 51 TYR CE1 C 13 118.257 0.000 . 1 . . . . 51 TYR CE1 . 15354 1 632 . 1 1 51 51 TYR N N 15 118.554 0.000 . 1 . . . . 51 TYR N . 15354 1 633 . 1 1 52 52 ARG H H 1 8.850 0.001 . 1 . . . . 52 ARG H . 15354 1 634 . 1 1 52 52 ARG HA H 1 3.106 0.000 . 1 . . . . 52 ARG HA . 15354 1 635 . 1 1 52 52 ARG HB2 H 1 1.747 0.000 . 2 . . . . 52 ARG HB2 . 15354 1 636 . 1 1 52 52 ARG HB3 H 1 1.490 0.001 . 2 . . . . 52 ARG HB3 . 15354 1 637 . 1 1 52 52 ARG HD2 H 1 3.085 0.000 . 2 . . . . 52 ARG HD2 . 15354 1 638 . 1 1 52 52 ARG HD3 H 1 3.436 0.000 . 2 . . . . 52 ARG HD3 . 15354 1 639 . 1 1 52 52 ARG HG2 H 1 1.736 0.000 . 2 . . . . 52 ARG HG2 . 15354 1 640 . 1 1 52 52 ARG HG3 H 1 1.302 0.000 . 2 . . . . 52 ARG HG3 . 15354 1 641 . 1 1 52 52 ARG C C 13 178.758 0.000 . 1 . . . . 52 ARG C . 15354 1 642 . 1 1 52 52 ARG CA C 13 59.176 0.000 . 1 . . . . 52 ARG CA . 15354 1 643 . 1 1 52 52 ARG CB C 13 26.428 0.000 . 1 . . . . 52 ARG CB . 15354 1 644 . 1 1 52 52 ARG CD C 13 43.237 0.000 . 1 . . . . 52 ARG CD . 15354 1 645 . 1 1 52 52 ARG CG C 13 29.565 0.000 . 1 . . . . 52 ARG CG . 15354 1 646 . 1 1 52 52 ARG N N 15 125.456 0.000 . 1 . . . . 52 ARG N . 15354 1 647 . 1 1 53 53 GLN H H 1 8.273 0.000 . 1 . . . . 53 GLN H . 15354 1 648 . 1 1 53 53 GLN HA H 1 3.892 0.000 . 1 . . . . 53 GLN HA . 15354 1 649 . 1 1 53 53 GLN HB2 H 1 1.974 0.002 . 2 . . . . 53 GLN HB2 . 15354 1 650 . 1 1 53 53 GLN HB3 H 1 2.063 0.004 . 2 . . . . 53 GLN HB3 . 15354 1 651 . 1 1 53 53 GLN HE21 H 1 7.596 0.002 . 2 . . . . 53 GLN HE21 . 15354 1 652 . 1 1 53 53 GLN HE22 H 1 6.777 0.004 . 2 . . . . 53 GLN HE22 . 15354 1 653 . 1 1 53 53 GLN HG2 H 1 2.319 0.003 . 2 . . . . 53 GLN HG2 . 15354 1 654 . 1 1 53 53 GLN HG3 H 1 2.557 0.003 . 2 . . . . 53 GLN HG3 . 15354 1 655 . 1 1 53 53 GLN C C 13 179.424 0.000 . 1 . . . . 53 GLN C . 15354 1 656 . 1 1 53 53 GLN CA C 13 58.987 0.000 . 1 . . . . 53 GLN CA . 15354 1 657 . 1 1 53 53 GLN CB C 13 28.356 0.000 . 1 . . . . 53 GLN CB . 15354 1 658 . 1 1 53 53 GLN CG C 13 34.459 0.000 . 1 . . . . 53 GLN CG . 15354 1 659 . 1 1 53 53 GLN N N 15 118.049 0.000 . 1 . . . . 53 GLN N . 15354 1 660 . 1 1 53 53 GLN NE2 N 15 111.696 0.000 . 1 . . . . 53 GLN NE2 . 15354 1 661 . 1 1 54 54 LEU H H 1 7.353 0.002 . 1 . . . . 54 LEU H . 15354 1 662 . 1 1 54 54 LEU HA H 1 3.998 0.004 . 1 . . . . 54 LEU HA . 15354 1 663 . 1 1 54 54 LEU HB2 H 1 1.256 0.004 . 2 . . . . 54 LEU HB2 . 15354 1 664 . 1 1 54 54 LEU HB3 H 1 1.727 0.001 . 2 . . . . 54 LEU HB3 . 15354 1 665 . 1 1 54 54 LEU HD11 H 1 0.770 0.006 . 2 . . . . 54 LEU QD1 . 15354 1 666 . 1 1 54 54 LEU HD12 H 1 0.770 0.006 . 2 . . . . 54 LEU QD1 . 15354 1 667 . 1 1 54 54 LEU HD13 H 1 0.770 0.006 . 2 . . . . 54 LEU QD1 . 15354 1 668 . 1 1 54 54 LEU HD21 H 1 0.767 0.002 . 2 . . . . 54 LEU QD2 . 15354 1 669 . 1 1 54 54 LEU HD22 H 1 0.767 0.002 . 2 . . . . 54 LEU QD2 . 15354 1 670 . 1 1 54 54 LEU HD23 H 1 0.767 0.002 . 2 . . . . 54 LEU QD2 . 15354 1 671 . 1 1 54 54 LEU HG H 1 1.469 0.007 . 1 . . . . 54 LEU HG . 15354 1 672 . 1 1 54 54 LEU C C 13 177.098 0.000 . 1 . . . . 54 LEU C . 15354 1 673 . 1 1 54 54 LEU CA C 13 58.178 0.000 . 1 . . . . 54 LEU CA . 15354 1 674 . 1 1 54 54 LEU CB C 13 42.426 0.000 . 1 . . . . 54 LEU CB . 15354 1 675 . 1 1 54 54 LEU CD1 C 13 25.941 0.000 . 1 . . . . 54 LEU CD1 . 15354 1 676 . 1 1 54 54 LEU CD2 C 13 23.773 0.000 . 1 . . . . 54 LEU CD2 . 15354 1 677 . 1 1 54 54 LEU CG C 13 27.008 0.000 . 1 . . . . 54 LEU CG . 15354 1 678 . 1 1 54 54 LEU N N 15 120.745 0.000 . 1 . . . . 54 LEU N . 15354 1 679 . 1 1 55 55 ASP H H 1 7.703 0.000 . 1 . . . . 55 ASP H . 15354 1 680 . 1 1 55 55 ASP HA H 1 4.303 0.003 . 1 . . . . 55 ASP HA . 15354 1 681 . 1 1 55 55 ASP HB2 H 1 2.376 0.000 . 2 . . . . 55 ASP HB2 . 15354 1 682 . 1 1 55 55 ASP HB3 H 1 2.583 0.005 . 2 . . . . 55 ASP HB3 . 15354 1 683 . 1 1 55 55 ASP C C 13 178.126 0.000 . 1 . . . . 55 ASP C . 15354 1 684 . 1 1 55 55 ASP CA C 13 57.969 0.000 . 1 . . . . 55 ASP CA . 15354 1 685 . 1 1 55 55 ASP CB C 13 43.078 0.000 . 1 . . . . 55 ASP CB . 15354 1 686 . 1 1 55 55 ASP N N 15 119.665 0.000 . 1 . . . . 55 ASP N . 15354 1 687 . 1 1 56 56 GLU H H 1 8.415 0.000 . 1 . . . . 56 GLU H . 15354 1 688 . 1 1 56 56 GLU HA H 1 3.955 0.000 . 1 . . . . 56 GLU HA . 15354 1 689 . 1 1 56 56 GLU HB2 H 1 2.095 0.000 . 2 . . . . 56 GLU HB2 . 15354 1 690 . 1 1 56 56 GLU HB3 H 1 2.099 0.000 . 2 . . . . 56 GLU HB3 . 15354 1 691 . 1 1 56 56 GLU HG2 H 1 2.374 0.000 . 2 . . . . 56 GLU HG2 . 15354 1 692 . 1 1 56 56 GLU HG3 H 1 2.472 0.000 . 2 . . . . 56 GLU HG3 . 15354 1 693 . 1 1 56 56 GLU C C 13 179.307 0.000 . 1 . . . . 56 GLU C . 15354 1 694 . 1 1 56 56 GLU CA C 13 59.029 0.000 . 1 . . . . 56 GLU CA . 15354 1 695 . 1 1 56 56 GLU CB C 13 29.136 0.000 . 1 . . . . 56 GLU CB . 15354 1 696 . 1 1 56 56 GLU CG C 13 35.830 0.000 . 1 . . . . 56 GLU CG . 15354 1 697 . 1 1 56 56 GLU N N 15 117.018 0.000 . 1 . . . . 56 GLU N . 15354 1 698 . 1 1 57 57 PHE H H 1 8.231 0.001 . 1 . . . . 57 PHE H . 15354 1 699 . 1 1 57 57 PHE HA H 1 4.266 0.000 . 1 . . . . 57 PHE HA . 15354 1 700 . 1 1 57 57 PHE HB2 H 1 3.055 0.001 . 2 . . . . 57 PHE HB2 . 15354 1 701 . 1 1 57 57 PHE HB3 H 1 3.193 0.000 . 2 . . . . 57 PHE HB3 . 15354 1 702 . 1 1 57 57 PHE HD1 H 1 7.114 0.009 . 1 . . . . 57 PHE HD1 . 15354 1 703 . 1 1 57 57 PHE HD2 H 1 7.114 0.009 . 1 . . . . 57 PHE HD2 . 15354 1 704 . 1 1 57 57 PHE HE1 H 1 7.300 0.008 . 1 . . . . 57 PHE HE1 . 15354 1 705 . 1 1 57 57 PHE HE2 H 1 7.300 0.008 . 1 . . . . 57 PHE HE2 . 15354 1 706 . 1 1 57 57 PHE HZ H 1 7.324 0.002 . 1 . . . . 57 PHE HZ . 15354 1 707 . 1 1 57 57 PHE C C 13 178.769 0.000 . 1 . . . . 57 PHE C . 15354 1 708 . 1 1 57 57 PHE CA C 13 61.249 0.000 . 1 . . . . 57 PHE CA . 15354 1 709 . 1 1 57 57 PHE CB C 13 39.449 0.000 . 1 . . . . 57 PHE CB . 15354 1 710 . 1 1 57 57 PHE CD1 C 13 131.262 0.000 . 1 . . . . 57 PHE CD1 . 15354 1 711 . 1 1 57 57 PHE CE1 C 13 131.200 0.000 . 1 . . . . 57 PHE CE1 . 15354 1 712 . 1 1 57 57 PHE CZ C 13 130.012 0.000 . 1 . . . . 57 PHE CZ . 15354 1 713 . 1 1 57 57 PHE N N 15 120.833 0.000 . 1 . . . . 57 PHE N . 15354 1 714 . 1 1 58 58 ARG H H 1 8.540 0.000 . 1 . . . . 58 ARG H . 15354 1 715 . 1 1 58 58 ARG HA H 1 3.823 0.000 . 1 . . . . 58 ARG HA . 15354 1 716 . 1 1 58 58 ARG HB2 H 1 2.064 0.000 . 2 . . . . 58 ARG HB2 . 15354 1 717 . 1 1 58 58 ARG HB3 H 1 1.964 0.000 . 2 . . . . 58 ARG HB3 . 15354 1 718 . 1 1 58 58 ARG HD2 H 1 3.260 0.000 . 2 . . . . 58 ARG HD2 . 15354 1 719 . 1 1 58 58 ARG HD3 H 1 3.259 0.000 . 2 . . . . 58 ARG HD3 . 15354 1 720 . 1 1 58 58 ARG HG2 H 1 1.655 0.000 . 2 . . . . 58 ARG HG2 . 15354 1 721 . 1 1 58 58 ARG HG3 H 1 1.945 0.000 . 2 . . . . 58 ARG HG3 . 15354 1 722 . 1 1 58 58 ARG C C 13 179.108 0.000 . 1 . . . . 58 ARG C . 15354 1 723 . 1 1 58 58 ARG CA C 13 59.764 0.000 . 1 . . . . 58 ARG CA . 15354 1 724 . 1 1 58 58 ARG CB C 13 29.758 0.000 . 1 . . . . 58 ARG CB . 15354 1 725 . 1 1 58 58 ARG CD C 13 43.420 0.000 . 1 . . . . 58 ARG CD . 15354 1 726 . 1 1 58 58 ARG CG C 13 28.007 0.000 . 1 . . . . 58 ARG CG . 15354 1 727 . 1 1 58 58 ARG N N 15 121.088 0.000 . 1 . . . . 58 ARG N . 15354 1 728 . 1 1 59 59 LYS H H 1 8.144 0.000 . 1 . . . . 59 LYS H . 15354 1 729 . 1 1 59 59 LYS HA H 1 4.074 0.000 . 1 . . . . 59 LYS HA . 15354 1 730 . 1 1 59 59 LYS HB2 H 1 1.891 0.000 . 2 . . . . 59 LYS HB2 . 15354 1 731 . 1 1 59 59 LYS HB3 H 1 1.895 0.000 . 2 . . . . 59 LYS HB3 . 15354 1 732 . 1 1 59 59 LYS HD2 H 1 1.673 0.000 . 2 . . . . 59 LYS HD2 . 15354 1 733 . 1 1 59 59 LYS HD3 H 1 1.689 0.000 . 2 . . . . 59 LYS HD3 . 15354 1 734 . 1 1 59 59 LYS HE2 H 1 3.040 0.000 . 2 . . . . 59 LYS HE2 . 15354 1 735 . 1 1 59 59 LYS HE3 H 1 3.032 0.000 . 2 . . . . 59 LYS HE3 . 15354 1 736 . 1 1 59 59 LYS HG2 H 1 1.450 0.000 . 2 . . . . 59 LYS HG2 . 15354 1 737 . 1 1 59 59 LYS HG3 H 1 1.449 0.000 . 2 . . . . 59 LYS HG3 . 15354 1 738 . 1 1 59 59 LYS C C 13 178.933 0.000 . 1 . . . . 59 LYS C . 15354 1 739 . 1 1 59 59 LYS CA C 13 59.111 0.000 . 1 . . . . 59 LYS CA . 15354 1 740 . 1 1 59 59 LYS CB C 13 32.386 0.000 . 1 . . . . 59 LYS CB . 15354 1 741 . 1 1 59 59 LYS CD C 13 29.264 0.000 . 1 . . . . 59 LYS CD . 15354 1 742 . 1 1 59 59 LYS CE C 13 42.033 0.000 . 1 . . . . 59 LYS CE . 15354 1 743 . 1 1 59 59 LYS CG C 13 25.789 0.000 . 1 . . . . 59 LYS CG . 15354 1 744 . 1 1 59 59 LYS N N 15 118.681 0.000 . 1 . . . . 59 LYS N . 15354 1 745 . 1 1 60 60 SER H H 1 8.081 0.000 . 1 . . . . 60 SER H . 15354 1 746 . 1 1 60 60 SER HA H 1 4.317 0.000 . 1 . . . . 60 SER HA . 15354 1 747 . 1 1 60 60 SER HB2 H 1 3.917 0.000 . 2 . . . . 60 SER HB2 . 15354 1 748 . 1 1 60 60 SER HB3 H 1 3.916 0.004 . 2 . . . . 60 SER HB3 . 15354 1 749 . 1 1 60 60 SER C C 13 176.069 0.000 . 1 . . . . 60 SER C . 15354 1 750 . 1 1 60 60 SER CA C 13 60.412 0.000 . 1 . . . . 60 SER CA . 15354 1 751 . 1 1 60 60 SER CB C 13 63.303 0.000 . 1 . . . . 60 SER CB . 15354 1 752 . 1 1 60 60 SER N N 15 115.192 0.000 . 1 . . . . 60 SER N . 15354 1 753 . 1 1 61 61 THR H H 1 7.727 0.000 . 1 . . . . 61 THR H . 15354 1 754 . 1 1 61 61 THR HA H 1 4.092 0.000 . 1 . . . . 61 THR HA . 15354 1 755 . 1 1 61 61 THR HB H 1 4.119 0.000 . 1 . . . . 61 THR HB . 15354 1 756 . 1 1 61 61 THR HG21 H 1 0.915 0.004 . 1 . . . . 61 THR QG2 . 15354 1 757 . 1 1 61 61 THR HG22 H 1 0.915 0.004 . 1 . . . . 61 THR QG2 . 15354 1 758 . 1 1 61 61 THR HG23 H 1 0.915 0.004 . 1 . . . . 61 THR QG2 . 15354 1 759 . 1 1 61 61 THR C C 13 175.485 0.000 . 1 . . . . 61 THR C . 15354 1 760 . 1 1 61 61 THR CA C 13 63.354 0.000 . 1 . . . . 61 THR CA . 15354 1 761 . 1 1 61 61 THR CB C 13 69.070 0.000 . 1 . . . . 61 THR CB . 15354 1 762 . 1 1 61 61 THR CG2 C 13 21.644 0.000 . 1 . . . . 61 THR CG2 . 15354 1 763 . 1 1 61 61 THR N N 15 114.048 0.000 . 1 . . . . 61 THR N . 15354 1 764 . 1 1 62 62 ALA H H 1 7.724 0.000 . 1 . . . . 62 ALA H . 15354 1 765 . 1 1 62 62 ALA HA H 1 4.237 0.000 . 1 . . . . 62 ALA HA . 15354 1 766 . 1 1 62 62 ALA HB1 H 1 1.441 0.007 . 1 . . . . 62 ALA QB . 15354 1 767 . 1 1 62 62 ALA HB2 H 1 1.441 0.007 . 1 . . . . 62 ALA QB . 15354 1 768 . 1 1 62 62 ALA HB3 H 1 1.441 0.007 . 1 . . . . 62 ALA QB . 15354 1 769 . 1 1 62 62 ALA C C 13 178.805 0.000 . 1 . . . . 62 ALA C . 15354 1 770 . 1 1 62 62 ALA CA C 13 53.841 0.000 . 1 . . . . 62 ALA CA . 15354 1 771 . 1 1 62 62 ALA CB C 13 18.569 0.000 . 1 . . . . 62 ALA CB . 15354 1 772 . 1 1 62 62 ALA N N 15 125.138 0.000 . 1 . . . . 62 ALA N . 15354 1 773 . 1 1 63 63 SER H H 1 7.988 0.000 . 1 . . . . 63 SER H . 15354 1 774 . 1 1 63 63 SER HA H 1 4.330 0.000 . 1 . . . . 63 SER HA . 15354 1 775 . 1 1 63 63 SER HB2 H 1 3.913 0.001 . 2 . . . . 63 SER HB2 . 15354 1 776 . 1 1 63 63 SER HB3 H 1 3.920 0.000 . 2 . . . . 63 SER HB3 . 15354 1 777 . 1 1 63 63 SER C C 13 175.274 0.000 . 1 . . . . 63 SER C . 15354 1 778 . 1 1 63 63 SER CA C 13 59.288 0.000 . 1 . . . . 63 SER CA . 15354 1 779 . 1 1 63 63 SER CB C 13 63.366 0.018 . 1 . . . . 63 SER CB . 15354 1 780 . 1 1 63 63 SER N N 15 113.093 0.000 . 1 . . . . 63 SER N . 15354 1 781 . 1 1 64 64 LEU H H 1 7.970 0.000 . 1 . . . . 64 LEU H . 15354 1 782 . 1 1 64 64 LEU HA H 1 4.206 0.000 . 1 . . . . 64 LEU HA . 15354 1 783 . 1 1 64 64 LEU HB2 H 1 1.685 0.000 . 2 . . . . 64 LEU HB2 . 15354 1 784 . 1 1 64 64 LEU HB3 H 1 1.557 0.000 . 2 . . . . 64 LEU HB3 . 15354 1 785 . 1 1 64 64 LEU HD11 H 1 0.840 0.000 . 2 . . . . 64 LEU QD1 . 15354 1 786 . 1 1 64 64 LEU HD12 H 1 0.840 0.000 . 2 . . . . 64 LEU QD1 . 15354 1 787 . 1 1 64 64 LEU HD13 H 1 0.840 0.000 . 2 . . . . 64 LEU QD1 . 15354 1 788 . 1 1 64 64 LEU HD21 H 1 0.845 0.000 . 2 . . . . 64 LEU QD2 . 15354 1 789 . 1 1 64 64 LEU HD22 H 1 0.845 0.000 . 2 . . . . 64 LEU QD2 . 15354 1 790 . 1 1 64 64 LEU HD23 H 1 0.845 0.000 . 2 . . . . 64 LEU QD2 . 15354 1 791 . 1 1 64 64 LEU HG H 1 1.638 0.000 . 1 . . . . 64 LEU HG . 15354 1 792 . 1 1 64 64 LEU C C 13 177.811 0.000 . 1 . . . . 64 LEU C . 15354 1 793 . 1 1 64 64 LEU CA C 13 55.724 0.000 . 1 . . . . 64 LEU CA . 15354 1 794 . 1 1 64 64 LEU CB C 13 42.014 0.000 . 1 . . . . 64 LEU CB . 15354 1 795 . 1 1 64 64 LEU CD1 C 13 23.031 0.000 . 1 . . . . 64 LEU CD1 . 15354 1 796 . 1 1 64 64 LEU CD2 C 13 23.368 0.000 . 1 . . . . 64 LEU CD2 . 15354 1 797 . 1 1 64 64 LEU CG C 13 26.770 0.000 . 1 . . . . 64 LEU CG . 15354 1 798 . 1 1 64 64 LEU N N 15 123.014 0.000 . 1 . . . . 64 LEU N . 15354 1 799 . 1 1 65 65 GLU H H 1 7.979 0.000 . 1 . . . . 65 GLU H . 15354 1 800 . 1 1 65 65 GLU HA H 1 4.144 0.000 . 1 . . . . 65 GLU HA . 15354 1 801 . 1 1 65 65 GLU HB2 H 1 1.910 0.002 . 2 . . . . 65 GLU HB2 . 15354 1 802 . 1 1 65 65 GLU HB3 H 1 1.906 0.000 . 2 . . . . 65 GLU HB3 . 15354 1 803 . 1 1 65 65 GLU HG2 H 1 2.267 0.000 . 2 . . . . 65 GLU HG2 . 15354 1 804 . 1 1 65 65 GLU HG3 H 1 2.193 0.000 . 2 . . . . 65 GLU HG3 . 15354 1 805 . 1 1 65 65 GLU C C 13 176.572 0.000 . 1 . . . . 65 GLU C . 15354 1 806 . 1 1 65 65 GLU CA C 13 56.689 0.000 . 1 . . . . 65 GLU CA . 15354 1 807 . 1 1 65 65 GLU CB C 13 29.812 0.000 . 1 . . . . 65 GLU CB . 15354 1 808 . 1 1 65 65 GLU CG C 13 36.010 0.000 . 1 . . . . 65 GLU CG . 15354 1 809 . 1 1 65 65 GLU N N 15 119.773 0.000 . 1 . . . . 65 GLU N . 15354 1 810 . 1 1 66 66 HIS H H 1 8.298 0.000 . 1 . . . . 66 HIS H . 15354 1 811 . 1 1 66 66 HIS HA H 1 4.633 0.000 . 1 . . . . 66 HIS HA . 15354 1 812 . 1 1 66 66 HIS HB2 H 1 3.105 0.000 . 2 . . . . 66 HIS HB2 . 15354 1 813 . 1 1 66 66 HIS HB3 H 1 3.214 0.000 . 2 . . . . 66 HIS HB3 . 15354 1 814 . 1 1 66 66 HIS HD2 H 1 7.252 0.000 . 1 . . . . 66 HIS HD2 . 15354 1 815 . 1 1 66 66 HIS HE1 H 1 8.080 0.000 . 1 . . . . 66 HIS HE1 . 15354 1 816 . 1 1 66 66 HIS C C 13 174.620 0.000 . 1 . . . . 66 HIS C . 15354 1 817 . 1 1 66 66 HIS CA C 13 55.316 0.000 . 1 . . . . 66 HIS CA . 15354 1 818 . 1 1 66 66 HIS CB C 13 28.546 0.000 . 1 . . . . 66 HIS CB . 15354 1 819 . 1 1 66 66 HIS CD2 C 13 119.840 0.000 . 1 . . . . 66 HIS CD2 . 15354 1 820 . 1 1 66 66 HIS CE1 C 13 136.050 0.000 . 1 . . . . 66 HIS CE1 . 15354 1 821 . 1 1 66 66 HIS N N 15 118.204 0.000 . 1 . . . . 66 HIS N . 15354 1 822 . 1 1 67 67 HIS H H 1 8.422 0.000 . 1 . . . . 67 HIS H . 15354 1 823 . 1 1 67 67 HIS HA H 1 4.762 0.000 . 1 . . . . 67 HIS HA . 15354 1 824 . 1 1 67 67 HIS HB2 H 1 3.091 0.000 . 2 . . . . 67 HIS HB2 . 15354 1 825 . 1 1 67 67 HIS HB3 H 1 3.078 0.000 . 2 . . . . 67 HIS HB3 . 15354 1 826 . 1 1 67 67 HIS HD2 H 1 7.080 0.000 . 1 . . . . 67 HIS HD2 . 15354 1 827 . 1 1 67 67 HIS HE1 H 1 8.080 0.000 . 1 . . . . 67 HIS HE1 . 15354 1 828 . 1 1 67 67 HIS C C 13 174.339 0.000 . 1 . . . . 67 HIS C . 15354 1 829 . 1 1 67 67 HIS CA C 13 55.412 0.000 . 1 . . . . 67 HIS CA . 15354 1 830 . 1 1 67 67 HIS CB C 13 28.788 0.000 . 1 . . . . 67 HIS CB . 15354 1 831 . 1 1 67 67 HIS CD2 C 13 119.840 0.000 . 1 . . . . 67 HIS CD2 . 15354 1 832 . 1 1 67 67 HIS CE1 C 13 136.050 0.000 . 1 . . . . 67 HIS CE1 . 15354 1 833 . 1 1 67 67 HIS N N 15 118.585 0.000 . 1 . . . . 67 HIS N . 15354 1 834 . 1 1 68 68 HIS H H 1 8.566 0.000 . 1 . . . . 68 HIS H . 15354 1 835 . 1 1 68 68 HIS HA H 1 4.594 0.000 . 1 . . . . 68 HIS HA . 15354 1 836 . 1 1 68 68 HIS HB2 H 1 3.104 0.000 . 2 . . . . 68 HIS HB2 . 15354 1 837 . 1 1 68 68 HIS HB3 H 1 3.091 0.000 . 2 . . . . 68 HIS HB3 . 15354 1 838 . 1 1 68 68 HIS HD2 H 1 7.080 0.000 . 1 . . . . 68 HIS HD2 . 15354 1 839 . 1 1 68 68 HIS HE1 H 1 8.080 0.000 . 1 . . . . 68 HIS HE1 . 15354 1 840 . 1 1 68 68 HIS C C 13 174.035 0.000 . 1 . . . . 68 HIS C . 15354 1 841 . 1 1 68 68 HIS CA C 13 55.101 0.000 . 1 . . . . 68 HIS CA . 15354 1 842 . 1 1 68 68 HIS CB C 13 29.017 0.000 . 1 . . . . 68 HIS CB . 15354 1 843 . 1 1 68 68 HIS CD2 C 13 119.840 0.000 . 1 . . . . 68 HIS CD2 . 15354 1 844 . 1 1 68 68 HIS CE1 C 13 136.050 0.000 . 1 . . . . 68 HIS CE1 . 15354 1 845 . 1 1 68 68 HIS N N 15 119.359 0.000 . 1 . . . . 68 HIS N . 15354 1 846 . 1 1 69 69 HIS H H 1 8.563 0.000 . 1 . . . . 69 HIS H . 15354 1 847 . 1 1 69 69 HIS HA H 1 4.607 0.000 . 1 . . . . 69 HIS HA . 15354 1 848 . 1 1 69 69 HIS HB2 H 1 3.104 0.000 . 2 . . . . 69 HIS HB2 . 15354 1 849 . 1 1 69 69 HIS HB3 H 1 3.091 0.000 . 2 . . . . 69 HIS HB3 . 15354 1 850 . 1 1 69 69 HIS HD2 H 1 7.080 0.000 . 1 . . . . 69 HIS HD2 . 15354 1 851 . 1 1 69 69 HIS HE1 H 1 8.080 0.000 . 1 . . . . 69 HIS HE1 . 15354 1 852 . 1 1 69 69 HIS C C 13 174.246 0.000 . 1 . . . . 69 HIS C . 15354 1 853 . 1 1 69 69 HIS CA C 13 55.440 0.000 . 1 . . . . 69 HIS CA . 15354 1 854 . 1 1 69 69 HIS CB C 13 29.233 0.000 . 1 . . . . 69 HIS CB . 15354 1 855 . 1 1 69 69 HIS CD2 C 13 119.840 0.000 . 1 . . . . 69 HIS CD2 . 15354 1 856 . 1 1 69 69 HIS CE1 C 13 136.050 0.000 . 1 . . . . 69 HIS CE1 . 15354 1 857 . 1 1 69 69 HIS N N 15 120.532 0.000 . 1 . . . . 69 HIS N . 15354 1 858 . 1 1 70 70 HIS H H 1 8.646 0.000 . 1 . . . . 70 HIS H . 15354 1 stop_ save_