data_15776 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15776 _Entry.Title ; Pfu Rpp21 structure and assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-15 _Entry.Accession_date 2008-05-15 _Entry.Last_release_date 2008-11-14 _Entry.Original_release_date 2008-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Carlos Amero . D. . 15776 2 Mark Foster . P. . 15776 3 William Boomershine . P. . 15776 4 Yiren Xu . . . 15776 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Ohio State University' . 15776 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 15776 'Pfu Rpp21' . 15776 'RNase P' . 15776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 15776 '15N chemical shifts' 75 15776 '1H chemical shifts' 558 15776 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-11-14 2008-05-15 original author . 15776 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K3R 'BMRB Entry Tracking System' 15776 stop_ save_ ############### # Citations # ############### save_Pfu_Rpp21 _Citation.Sf_category citations _Citation.Sf_framecode Pfu_Rpp21 _Citation.Entry_ID 15776 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18922021 _Citation.Full_citation . _Citation.Title 'Solution structure of Pyrococcus furiosus RPP21, a component of the archaeal RNase P holoenzyme, and interactions with its RPP29 protein partner' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 45 _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 11704 _Citation.Page_last 11710 _Citation.Year 2008 _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 Carlos Amero . D. . 15776 1 2 William Boomershine . P. . 15776 1 3 Yiren Xu . . . 15776 1 4 Mark Foster . . . 15776 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 15776 1 'RNase P' 15776 1 Rpp21 15776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15776 _Assembly.ID 1 _Assembly.Name Rpp21-Zn _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 Rpp21 1 $Rpp21 A . yes native no no . . . 15776 1 2 Zn 2 $ZN B . no native no no . . . 15776 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 Rpp21 1 CYS 63 63 SG . 2 Zn 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 15776 1 2 coordination single . 1 Rpp21 1 CYS 66 66 SG . 2 Zn 2 ZN 1 1 ZN . . 65 CYS SG . . . . ZN 15776 1 3 coordination single . 1 Rpp21 1 CYS 92 92 SG . 2 Zn 2 ZN 1 1 ZN . . 91 CYS SG . . . . ZN 15776 1 4 coordination single . 1 Rpp21 1 CYS 95 95 SG . 2 Zn 2 ZN 1 1 ZN . . 94 CYS SG . . . . ZN 15776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpp21 _Entity.Sf_category entity _Entity.Sf_framecode Rpp21 _Entity.Entry_ID 15776 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rpp21 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKYNEKKEKKRIAKERIDI LFSLAERVFPYSPELAKRYV ELALLVQQKAKVKIPRKWKR RYCKKCHAFLVPGINARVRL RQKRMPHIVVKCLECGHIMR YPYIKEIKKRRKEKMEYGGL VPR ; _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2K3R . "Pfu Rpp21 Structure And Assignments" . . . . . 100.00 123 100.00 100.00 9.18e-80 . . . . 15776 1 2 no PDB 2KI7 . "The Solution Structure Of Rpp29-Rpp21 Complex From Pyrococcus Furiosus" . . . . . 100.00 123 100.00 100.00 9.18e-80 . . . . 15776 1 3 no GB AAL81737 . "hypothetical protein PF1613 [Pyrococcus furiosus DSM 3638]" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 1 4 no GB AFN05027 . "ribonuclease P protein component 4 [Pyrococcus furiosus COM1]" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 1 5 no REF WP_011012760 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 1 6 no SP Q8U0H6 . "RecName: Full=Ribonuclease P protein component 4; Short=RNase P component 4; AltName: Full=Rpp21" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 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 . 15776 1 2 . ALA . 15776 1 3 . LYS . 15776 1 4 . TYR . 15776 1 5 . ASN . 15776 1 6 . GLU . 15776 1 7 . LYS . 15776 1 8 . LYS . 15776 1 9 . GLU . 15776 1 10 . LYS . 15776 1 11 . LYS . 15776 1 12 . ARG . 15776 1 13 . ILE . 15776 1 14 . ALA . 15776 1 15 . LYS . 15776 1 16 . GLU . 15776 1 17 . ARG . 15776 1 18 . ILE . 15776 1 19 . ASP . 15776 1 20 . ILE . 15776 1 21 . LEU . 15776 1 22 . PHE . 15776 1 23 . SER . 15776 1 24 . LEU . 15776 1 25 . ALA . 15776 1 26 . GLU . 15776 1 27 . ARG . 15776 1 28 . VAL . 15776 1 29 . PHE . 15776 1 30 . PRO . 15776 1 31 . TYR . 15776 1 32 . SER . 15776 1 33 . PRO . 15776 1 34 . GLU . 15776 1 35 . LEU . 15776 1 36 . ALA . 15776 1 37 . LYS . 15776 1 38 . ARG . 15776 1 39 . TYR . 15776 1 40 . VAL . 15776 1 41 . GLU . 15776 1 42 . LEU . 15776 1 43 . ALA . 15776 1 44 . LEU . 15776 1 45 . LEU . 15776 1 46 . VAL . 15776 1 47 . GLN . 15776 1 48 . GLN . 15776 1 49 . LYS . 15776 1 50 . ALA . 15776 1 51 . LYS . 15776 1 52 . VAL . 15776 1 53 . LYS . 15776 1 54 . ILE . 15776 1 55 . PRO . 15776 1 56 . ARG . 15776 1 57 . LYS . 15776 1 58 . TRP . 15776 1 59 . LYS . 15776 1 60 . ARG . 15776 1 61 . ARG . 15776 1 62 . TYR . 15776 1 63 . CYS . 15776 1 64 . LYS . 15776 1 65 . LYS . 15776 1 66 . CYS . 15776 1 67 . HIS . 15776 1 68 . ALA . 15776 1 69 . PHE . 15776 1 70 . LEU . 15776 1 71 . VAL . 15776 1 72 . PRO . 15776 1 73 . GLY . 15776 1 74 . ILE . 15776 1 75 . ASN . 15776 1 76 . ALA . 15776 1 77 . ARG . 15776 1 78 . VAL . 15776 1 79 . ARG . 15776 1 80 . LEU . 15776 1 81 . ARG . 15776 1 82 . GLN . 15776 1 83 . LYS . 15776 1 84 . ARG . 15776 1 85 . MET . 15776 1 86 . PRO . 15776 1 87 . HIS . 15776 1 88 . ILE . 15776 1 89 . VAL . 15776 1 90 . VAL . 15776 1 91 . LYS . 15776 1 92 . CYS . 15776 1 93 . LEU . 15776 1 94 . GLU . 15776 1 95 . CYS . 15776 1 96 . GLY . 15776 1 97 . HIS . 15776 1 98 . ILE . 15776 1 99 . MET . 15776 1 100 . ARG . 15776 1 101 . TYR . 15776 1 102 . PRO . 15776 1 103 . TYR . 15776 1 104 . ILE . 15776 1 105 . LYS . 15776 1 106 . GLU . 15776 1 107 . ILE . 15776 1 108 . LYS . 15776 1 109 . LYS . 15776 1 110 . ARG . 15776 1 111 . ARG . 15776 1 112 . LYS . 15776 1 113 . GLU . 15776 1 114 . LYS . 15776 1 115 . MET . 15776 1 116 . GLU . 15776 1 117 . TYR . 15776 1 118 . GLY . 15776 1 119 . GLY . 15776 1 120 . LEU . 15776 1 121 . VAL . 15776 1 122 . PRO . 15776 1 123 . ARG . 15776 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 15776 1 . ALA 2 2 15776 1 . LYS 3 3 15776 1 . TYR 4 4 15776 1 . ASN 5 5 15776 1 . GLU 6 6 15776 1 . LYS 7 7 15776 1 . LYS 8 8 15776 1 . GLU 9 9 15776 1 . LYS 10 10 15776 1 . LYS 11 11 15776 1 . ARG 12 12 15776 1 . ILE 13 13 15776 1 . ALA 14 14 15776 1 . LYS 15 15 15776 1 . GLU 16 16 15776 1 . ARG 17 17 15776 1 . ILE 18 18 15776 1 . ASP 19 19 15776 1 . ILE 20 20 15776 1 . LEU 21 21 15776 1 . PHE 22 22 15776 1 . SER 23 23 15776 1 . LEU 24 24 15776 1 . ALA 25 25 15776 1 . GLU 26 26 15776 1 . ARG 27 27 15776 1 . VAL 28 28 15776 1 . PHE 29 29 15776 1 . PRO 30 30 15776 1 . TYR 31 31 15776 1 . SER 32 32 15776 1 . PRO 33 33 15776 1 . GLU 34 34 15776 1 . LEU 35 35 15776 1 . ALA 36 36 15776 1 . LYS 37 37 15776 1 . ARG 38 38 15776 1 . TYR 39 39 15776 1 . VAL 40 40 15776 1 . GLU 41 41 15776 1 . LEU 42 42 15776 1 . ALA 43 43 15776 1 . LEU 44 44 15776 1 . LEU 45 45 15776 1 . VAL 46 46 15776 1 . GLN 47 47 15776 1 . GLN 48 48 15776 1 . LYS 49 49 15776 1 . ALA 50 50 15776 1 . LYS 51 51 15776 1 . VAL 52 52 15776 1 . LYS 53 53 15776 1 . ILE 54 54 15776 1 . PRO 55 55 15776 1 . ARG 56 56 15776 1 . LYS 57 57 15776 1 . TRP 58 58 15776 1 . LYS 59 59 15776 1 . ARG 60 60 15776 1 . ARG 61 61 15776 1 . TYR 62 62 15776 1 . CYS 63 63 15776 1 . LYS 64 64 15776 1 . LYS 65 65 15776 1 . CYS 66 66 15776 1 . HIS 67 67 15776 1 . ALA 68 68 15776 1 . PHE 69 69 15776 1 . LEU 70 70 15776 1 . VAL 71 71 15776 1 . PRO 72 72 15776 1 . GLY 73 73 15776 1 . ILE 74 74 15776 1 . ASN 75 75 15776 1 . ALA 76 76 15776 1 . ARG 77 77 15776 1 . VAL 78 78 15776 1 . ARG 79 79 15776 1 . LEU 80 80 15776 1 . ARG 81 81 15776 1 . GLN 82 82 15776 1 . LYS 83 83 15776 1 . ARG 84 84 15776 1 . MET 85 85 15776 1 . PRO 86 86 15776 1 . HIS 87 87 15776 1 . ILE 88 88 15776 1 . VAL 89 89 15776 1 . VAL 90 90 15776 1 . LYS 91 91 15776 1 . CYS 92 92 15776 1 . LEU 93 93 15776 1 . GLU 94 94 15776 1 . CYS 95 95 15776 1 . GLY 96 96 15776 1 . HIS 97 97 15776 1 . ILE 98 98 15776 1 . MET 99 99 15776 1 . ARG 100 100 15776 1 . TYR 101 101 15776 1 . PRO 102 102 15776 1 . TYR 103 103 15776 1 . ILE 104 104 15776 1 . LYS 105 105 15776 1 . GLU 106 106 15776 1 . ILE 107 107 15776 1 . LYS 108 108 15776 1 . LYS 109 109 15776 1 . ARG 110 110 15776 1 . ARG 111 111 15776 1 . LYS 112 112 15776 1 . GLU 113 113 15776 1 . LYS 114 114 15776 1 . MET 115 115 15776 1 . GLU 116 116 15776 1 . TYR 117 117 15776 1 . GLY 118 118 15776 1 . GLY 119 119 15776 1 . LEU 120 120 15776 1 . VAL 121 121 15776 1 . PRO 122 122 15776 1 . ARG 123 123 15776 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15776 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 15776 2 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 15776 _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 $Rpp21 . 2261 plasmid . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 15776 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 15776 _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 $Rpp21 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-33b . . . . . . 15776 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15776 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code ZN _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.01 15776 ZN [Zn++] SMILES CACTVS 3.341 15776 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15776 ZN [Zn+2] SMILES ACDLabs 10.04 15776 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15776 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15776 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15776 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15776 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15776 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15776 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details Rpp21 _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 1 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 1 4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 15776 1 5 'ZINC chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 1 7 D2O . . . . . . . 10 . . % . . . . 15776 1 stop_ save_ save_sample_complex _Sample.Sf_category sample _Sample.Sf_framecode sample_complex _Sample.Entry_ID 15776 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Pfu Rpp21-Rpp29' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 2 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 2 4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 0.5 . . mM . . . . 15776 2 5 'ZINC chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 2 6 Rpp29 'natural abundance' . . . . . . 0.5 . . mM . . . . 15776 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 2 8 D2O . . . . . . . 10 . . % . . . . 15776 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15776 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details Rpp21 _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 3 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 3 4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 15776 3 5 'ZINC chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 3 7 D2O . . . . . . . 10 . . % . . . . 15776 3 stop_ save_ save_sample_cobalt _Sample.Sf_category sample _Sample.Sf_framecode sample_cobalt _Sample.Entry_ID 15776 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'cobalt-substituted Rpp21' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 4 2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 4 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 4 4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 15776 4 5 'cobalt chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 4 7 D2O . . . . . . . 10 . . % . . . . 15776 4 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 15776 _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' 10 . mM 15776 1 pH 6.7 . pH 15776 1 pressure 1 . atm 15776 1 temperature 323 . K 15776 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15776 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15776 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15776 1 refinement 15776 1 'structure solution' 15776 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15776 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15776 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15776 2 'structure solution' 15776 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15776 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15776 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15776 3 'data analysis' 15776 3 'structure solution' 15776 3 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 15776 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15776 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 15776 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 15776 1 2 spectrometer_2 Bruker DMX . 600 . . . 15776 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 15776 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1 14 '3D HNCO' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 15 '3D HNCA' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 16 '3D HNCACB' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 17 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1 19 '3D HNCO' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 20 '3D HNCA' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 21 '3D HNCACB' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1 22 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 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 15776 _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 internal indirect 0.25144952 . . . 1 $Pfu_Rpp21 . . 1 $Pfu_Rpp21 15776 1 H 1 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . 1 $Pfu_Rpp21 . . 1 $Pfu_Rpp21 15776 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . 1 $Pfu_Rpp21 . . 1 $Pfu_Rpp21 15776 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 15776 _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' . . . 15776 1 2 '3D HNCO' . . . 15776 1 3 '3D HNCA' . . . 15776 1 4 '3D HNCACB' . . . 15776 1 5 '3D CBCA(CO)NH' . . . 15776 1 6 '3D 1H-15N TOCSY' . . . 15776 1 10 '3D HBHA(CO)NH' . . . 15776 1 11 '3D HCCH-COSY' . . . 15776 1 12 '3D HCCH-TOCSY' . . . 15776 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 15776 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 18 18 ILE HA H 1 3.61 0.02 . 1 . . . . 18 ILE HA . 15776 1 2 . 1 1 18 18 ILE HB H 1 2.09 0.02 . 1 . . . . 18 ILE HB . 15776 1 3 . 1 1 18 18 ILE HD11 H 1 0.84 0.02 . 1 . . . . 18 ILE HD1 . 15776 1 4 . 1 1 18 18 ILE HD12 H 1 0.84 0.02 . 1 . . . . 18 ILE HD1 . 15776 1 5 . 1 1 18 18 ILE HD13 H 1 0.84 0.02 . 1 . . . . 18 ILE HD1 . 15776 1 6 . 1 1 18 18 ILE HG12 H 1 1.43 0.02 . 2 . . . . 18 ILE HG12 . 15776 1 7 . 1 1 18 18 ILE HG13 H 1 1.93 0.02 . 2 . . . . 18 ILE HG13 . 15776 1 8 . 1 1 18 18 ILE HG21 H 1 1.15 0.02 . 1 . . . . 18 ILE HG2 . 15776 1 9 . 1 1 18 18 ILE HG22 H 1 1.15 0.02 . 1 . . . . 18 ILE HG2 . 15776 1 10 . 1 1 18 18 ILE HG23 H 1 1.15 0.02 . 1 . . . . 18 ILE HG2 . 15776 1 11 . 1 1 18 18 ILE C C 13 176.8 0.3 . 1 . . . . 18 ILE C . 15776 1 12 . 1 1 18 18 ILE CA C 13 66.7 0.3 . 1 . . . . 18 ILE CA . 15776 1 13 . 1 1 18 18 ILE CB C 13 38.6 0.3 . 1 . . . . 18 ILE CB . 15776 1 14 . 1 1 18 18 ILE CD1 C 13 14.8 0.3 . 1 . . . . 18 ILE CD1 . 15776 1 15 . 1 1 18 18 ILE CG1 C 13 30.2 0.3 . 1 . . . . 18 ILE CG1 . 15776 1 16 . 1 1 18 18 ILE CG2 C 13 19.0 0.3 . 1 . . . . 18 ILE CG2 . 15776 1 17 . 1 1 19 19 ASP H H 1 8.05 0.02 . 1 . . . . 19 ASP H . 15776 1 18 . 1 1 19 19 ASP HA H 1 4.58 0.02 . 1 . . . . 19 ASP HA . 15776 1 19 . 1 1 19 19 ASP HB2 H 1 2.95 0.02 . 2 . . . . 19 ASP HB2 . 15776 1 20 . 1 1 19 19 ASP HB3 H 1 3.07 0.02 . 2 . . . . 19 ASP HB3 . 15776 1 21 . 1 1 19 19 ASP CA C 13 58.2 0.3 . 1 . . . . 19 ASP CA . 15776 1 22 . 1 1 19 19 ASP CB C 13 42.5 0.3 . 1 . . . . 19 ASP CB . 15776 1 23 . 1 1 19 19 ASP N N 15 119.1 0.3 . 1 . . . . 19 ASP N . 15776 1 24 . 1 1 20 20 ILE H H 1 8.24 0.02 . 1 . . . . 20 ILE H . 15776 1 25 . 1 1 20 20 ILE HA H 1 3.73 0.02 . 1 . . . . 20 ILE HA . 15776 1 26 . 1 1 20 20 ILE HB H 1 2.03 0.02 . 1 . . . . 20 ILE HB . 15776 1 27 . 1 1 20 20 ILE HD11 H 1 0.89 0.02 . 1 . . . . 20 ILE HD1 . 15776 1 28 . 1 1 20 20 ILE HD12 H 1 0.89 0.02 . 1 . . . . 20 ILE HD1 . 15776 1 29 . 1 1 20 20 ILE HD13 H 1 0.89 0.02 . 1 . . . . 20 ILE HD1 . 15776 1 30 . 1 1 20 20 ILE HG12 H 1 1.78 0.02 . 2 . . . . 20 ILE HG12 . 15776 1 31 . 1 1 20 20 ILE HG13 H 1 1.82 0.02 . 2 . . . . 20 ILE HG13 . 15776 1 32 . 1 1 20 20 ILE HG21 H 1 0.88 0.02 . 1 . . . . 20 ILE HG2 . 15776 1 33 . 1 1 20 20 ILE HG22 H 1 0.88 0.02 . 1 . . . . 20 ILE HG2 . 15776 1 34 . 1 1 20 20 ILE HG23 H 1 0.88 0.02 . 1 . . . . 20 ILE HG2 . 15776 1 35 . 1 1 20 20 ILE CA C 13 65.0 0.3 . 1 . . . . 20 ILE CA . 15776 1 36 . 1 1 20 20 ILE CB C 13 38.3 0.3 . 1 . . . . 20 ILE CB . 15776 1 37 . 1 1 20 20 ILE CD1 C 13 13.4 0.3 . 1 . . . . 20 ILE CD1 . 15776 1 38 . 1 1 20 20 ILE CG1 C 13 29.8 0.3 . 1 . . . . 20 ILE CG1 . 15776 1 39 . 1 1 20 20 ILE CG2 C 13 17.3 0.3 . 1 . . . . 20 ILE CG2 . 15776 1 40 . 1 1 20 20 ILE N N 15 120.4 0.3 . 1 . . . . 20 ILE N . 15776 1 41 . 1 1 21 21 LEU H H 1 7.87 0.02 . 1 . . . . 21 LEU H . 15776 1 42 . 1 1 21 21 LEU HA H 1 4.44 0.02 . 1 . . . . 21 LEU HA . 15776 1 43 . 1 1 21 21 LEU HB2 H 1 1.81 0.02 . 2 . . . . 21 LEU HB2 . 15776 1 44 . 1 1 21 21 LEU HB3 H 1 1.89 0.02 . 2 . . . . 21 LEU HB3 . 15776 1 45 . 1 1 21 21 LEU HD11 H 1 0.93 0.02 . 1 . . . . 21 LEU HD1 . 15776 1 46 . 1 1 21 21 LEU HD12 H 1 0.93 0.02 . 1 . . . . 21 LEU HD1 . 15776 1 47 . 1 1 21 21 LEU HD13 H 1 0.93 0.02 . 1 . . . . 21 LEU HD1 . 15776 1 48 . 1 1 21 21 LEU HG H 1 1.65 0.02 . 1 . . . . 21 LEU HG . 15776 1 49 . 1 1 21 21 LEU C C 13 178.7 0.3 . 1 . . . . 21 LEU C . 15776 1 50 . 1 1 21 21 LEU CA C 13 59.8 0.3 . 1 . . . . 21 LEU CA . 15776 1 51 . 1 1 21 21 LEU CB C 13 42.2 0.3 . 1 . . . . 21 LEU CB . 15776 1 52 . 1 1 21 21 LEU CD1 C 13 24.7 0.3 . 1 . . . . 21 LEU CD1 . 15776 1 53 . 1 1 21 21 LEU CG C 13 26.0 0.3 . 1 . . . . 21 LEU CG . 15776 1 54 . 1 1 21 21 LEU N N 15 121.1 0.3 . 1 . . . . 21 LEU N . 15776 1 55 . 1 1 22 22 PHE H H 1 7.82 0.02 . 1 . . . . 22 PHE H . 15776 1 56 . 1 1 22 22 PHE HA H 1 3.48 0.02 . 1 . . . . 22 PHE HA . 15776 1 57 . 1 1 22 22 PHE HB2 H 1 0.44 0.02 . 2 . . . . 22 PHE HB2 . 15776 1 58 . 1 1 22 22 PHE HB3 H 1 1.23 0.02 . 2 . . . . 22 PHE HB3 . 15776 1 59 . 1 1 22 22 PHE HD1 H 1 6.99 0.02 . 1 . . . . 22 PHE HD1 . 15776 1 60 . 1 1 22 22 PHE HD2 H 1 6.99 0.02 . 1 . . . . 22 PHE HD2 . 15776 1 61 . 1 1 22 22 PHE HE1 H 1 6.96 0.02 . 1 . . . . 22 PHE HE1 . 15776 1 62 . 1 1 22 22 PHE HE2 H 1 6.96 0.02 . 1 . . . . 22 PHE HE2 . 15776 1 63 . 1 1 22 22 PHE C C 13 177.3 0.3 . 1 . . . . 22 PHE C . 15776 1 64 . 1 1 22 22 PHE CA C 13 63.1 0.3 . 1 . . . . 22 PHE CA . 15776 1 65 . 1 1 22 22 PHE CB C 13 36.4 0.3 . 1 . . . . 22 PHE CB . 15776 1 66 . 1 1 22 22 PHE CD1 C 13 131.6 0.3 . 1 . . . . 22 PHE CD1 . 15776 1 67 . 1 1 22 22 PHE CD2 C 13 131.6 0.3 . 1 . . . . 22 PHE CD2 . 15776 1 68 . 1 1 22 22 PHE CE1 C 13 131.5 0.3 . 1 . . . . 22 PHE CE1 . 15776 1 69 . 1 1 22 22 PHE CE2 C 13 131.5 0.3 . 1 . . . . 22 PHE CE2 . 15776 1 70 . 1 1 22 22 PHE N N 15 116.9 0.3 . 1 . . . . 22 PHE N . 15776 1 71 . 1 1 23 23 SER H H 1 7.94 0.02 . 1 . . . . 23 SER H . 15776 1 72 . 1 1 23 23 SER HA H 1 4.52 0.02 . 1 . . . . 23 SER HA . 15776 1 73 . 1 1 23 23 SER HB2 H 1 3.76 0.02 . 2 . . . . 23 SER HB2 . 15776 1 74 . 1 1 23 23 SER HB3 H 1 4.25 0.02 . 2 . . . . 23 SER HB3 . 15776 1 75 . 1 1 23 23 SER C C 13 177.3 0.3 . 1 . . . . 23 SER C . 15776 1 76 . 1 1 23 23 SER CA C 13 63.5 0.3 . 1 . . . . 23 SER CA . 15776 1 77 . 1 1 23 23 SER CB C 13 62.9 0.3 . 1 . . . . 23 SER CB . 15776 1 78 . 1 1 23 23 SER N N 15 114.4 0.3 . 1 . . . . 23 SER N . 15776 1 79 . 1 1 24 24 LEU H H 1 8.05 0.02 . 1 . . . . 24 LEU H . 15776 1 80 . 1 1 24 24 LEU HA H 1 3.82 0.02 . 1 . . . . 24 LEU HA . 15776 1 81 . 1 1 24 24 LEU HB3 H 1 1.28 0.02 . 1 . . . . 24 LEU HB3 . 15776 1 82 . 1 1 24 24 LEU HD11 H 1 0.56 0.02 . 1 . . . . 24 LEU HD1 . 15776 1 83 . 1 1 24 24 LEU HD12 H 1 0.56 0.02 . 1 . . . . 24 LEU HD1 . 15776 1 84 . 1 1 24 24 LEU HD13 H 1 0.56 0.02 . 1 . . . . 24 LEU HD1 . 15776 1 85 . 1 1 24 24 LEU HD21 H 1 0.56 0.02 . 1 . . . . 24 LEU HD2 . 15776 1 86 . 1 1 24 24 LEU HD22 H 1 0.56 0.02 . 1 . . . . 24 LEU HD2 . 15776 1 87 . 1 1 24 24 LEU HD23 H 1 0.56 0.02 . 1 . . . . 24 LEU HD2 . 15776 1 88 . 1 1 24 24 LEU HG H 1 1.50 0.02 . 1 . . . . 24 LEU HG . 15776 1 89 . 1 1 24 24 LEU C C 13 178.2 0.3 . 1 . . . . 24 LEU C . 15776 1 90 . 1 1 24 24 LEU CA C 13 58.1 0.3 . 1 . . . . 24 LEU CA . 15776 1 91 . 1 1 24 24 LEU CB C 13 40.7 0.3 . 1 . . . . 24 LEU CB . 15776 1 92 . 1 1 24 24 LEU CD1 C 13 23.2 0.3 . 1 . . . . 24 LEU CD1 . 15776 1 93 . 1 1 24 24 LEU CD2 C 13 23.4 0.3 . 1 . . . . 24 LEU CD2 . 15776 1 94 . 1 1 24 24 LEU CG C 13 25.9 0.3 . 1 . . . . 24 LEU CG . 15776 1 95 . 1 1 24 24 LEU N N 15 124.7 0.3 . 1 . . . . 24 LEU N . 15776 1 96 . 1 1 25 25 ALA H H 1 7.59 0.02 . 1 . . . . 25 ALA H . 15776 1 97 . 1 1 25 25 ALA HA H 1 3.82 0.02 . 1 . . . . 25 ALA HA . 15776 1 98 . 1 1 25 25 ALA HB1 H 1 1.20 0.02 . 1 . . . . 25 ALA HB . 15776 1 99 . 1 1 25 25 ALA HB2 H 1 1.20 0.02 . 1 . . . . 25 ALA HB . 15776 1 100 . 1 1 25 25 ALA HB3 H 1 1.20 0.02 . 1 . . . . 25 ALA HB . 15776 1 101 . 1 1 25 25 ALA C C 13 177.7 0.3 . 1 . . . . 25 ALA C . 15776 1 102 . 1 1 25 25 ALA CA C 13 55.8 0.3 . 1 . . . . 25 ALA CA . 15776 1 103 . 1 1 25 25 ALA CB C 13 18.4 0.3 . 1 . . . . 25 ALA CB . 15776 1 104 . 1 1 25 25 ALA N N 15 122.4 0.3 . 1 . . . . 25 ALA N . 15776 1 105 . 1 1 26 26 GLU H H 1 7.69 0.02 . 1 . . . . 26 GLU H . 15776 1 106 . 1 1 26 26 GLU HA H 1 4.27 0.02 . 1 . . . . 26 GLU HA . 15776 1 107 . 1 1 26 26 GLU HB2 H 1 2.00 0.02 . 2 . . . . 26 GLU HB2 . 15776 1 108 . 1 1 26 26 GLU HB3 H 1 2.03 0.02 . 2 . . . . 26 GLU HB3 . 15776 1 109 . 1 1 26 26 GLU HG2 H 1 2.38 0.02 . 2 . . . . 26 GLU HG2 . 15776 1 110 . 1 1 26 26 GLU HG3 H 1 2.49 0.02 . 2 . . . . 26 GLU HG3 . 15776 1 111 . 1 1 26 26 GLU C C 13 178.6 0.3 . 1 . . . . 26 GLU C . 15776 1 112 . 1 1 26 26 GLU CA C 13 60.0 0.3 . 1 . . . . 26 GLU CA . 15776 1 113 . 1 1 26 26 GLU CB C 13 31.1 0.3 . 1 . . . . 26 GLU CB . 15776 1 114 . 1 1 26 26 GLU CG C 13 37.0 0.3 . 1 . . . . 26 GLU CG . 15776 1 115 . 1 1 26 26 GLU N N 15 116.0 0.3 . 1 . . . . 26 GLU N . 15776 1 116 . 1 1 27 27 ARG H H 1 7.67 0.02 . 1 . . . . 27 ARG H . 15776 1 117 . 1 1 27 27 ARG HA H 1 4.19 0.02 . 1 . . . . 27 ARG HA . 15776 1 118 . 1 1 27 27 ARG HB3 H 1 2.02 0.02 . 1 . . . . 27 ARG HB3 . 15776 1 119 . 1 1 27 27 ARG HD3 H 1 3.28 0.02 . 1 . . . . 27 ARG HD3 . 15776 1 120 . 1 1 27 27 ARG HG2 H 1 1.85 0.02 . 2 . . . . 27 ARG HG2 . 15776 1 121 . 1 1 27 27 ARG HG3 H 1 1.93 0.02 . 2 . . . . 27 ARG HG3 . 15776 1 122 . 1 1 27 27 ARG C C 13 178.4 0.3 . 1 . . . . 27 ARG C . 15776 1 123 . 1 1 27 27 ARG CA C 13 58.8 0.3 . 1 . . . . 27 ARG CA . 15776 1 124 . 1 1 27 27 ARG CB C 13 30.7 0.3 . 1 . . . . 27 ARG CB . 15776 1 125 . 1 1 27 27 ARG CD C 13 43.8 0.3 . 1 . . . . 27 ARG CD . 15776 1 126 . 1 1 27 27 ARG CG C 13 27.7 0.3 . 1 . . . . 27 ARG CG . 15776 1 127 . 1 1 27 27 ARG N N 15 116.7 0.3 . 1 . . . . 27 ARG N . 15776 1 128 . 1 1 28 28 VAL H H 1 8.23 0.02 . 1 . . . . 28 VAL H . 15776 1 129 . 1 1 28 28 VAL HA H 1 4.53 0.02 . 1 . . . . 28 VAL HA . 15776 1 130 . 1 1 28 28 VAL HB H 1 2.34 0.02 . 1 . . . . 28 VAL HB . 15776 1 131 . 1 1 28 28 VAL HG11 H 1 1.21 0.02 . 1 . . . . 28 VAL HG1 . 15776 1 132 . 1 1 28 28 VAL HG12 H 1 1.21 0.02 . 1 . . . . 28 VAL HG1 . 15776 1 133 . 1 1 28 28 VAL HG13 H 1 1.21 0.02 . 1 . . . . 28 VAL HG1 . 15776 1 134 . 1 1 28 28 VAL HG21 H 1 1.19 0.02 . 1 . . . . 28 VAL HG2 . 15776 1 135 . 1 1 28 28 VAL HG22 H 1 1.19 0.02 . 1 . . . . 28 VAL HG2 . 15776 1 136 . 1 1 28 28 VAL HG23 H 1 1.19 0.02 . 1 . . . . 28 VAL HG2 . 15776 1 137 . 1 1 28 28 VAL C C 13 176.5 0.3 . 1 . . . . 28 VAL C . 15776 1 138 . 1 1 28 28 VAL CA C 13 62.6 0.3 . 1 . . . . 28 VAL CA . 15776 1 139 . 1 1 28 28 VAL CB C 13 33.0 0.3 . 1 . . . . 28 VAL CB . 15776 1 140 . 1 1 28 28 VAL CG1 C 13 21.7 0.3 . 1 . . . . 28 VAL CG1 . 15776 1 141 . 1 1 28 28 VAL CG2 C 13 21.3 0.3 . 1 . . . . 28 VAL CG2 . 15776 1 142 . 1 1 28 28 VAL N N 15 112.6 0.3 . 1 . . . . 28 VAL N . 15776 1 143 . 1 1 29 29 PHE H H 1 8.02 0.02 . 1 . . . . 29 PHE H . 15776 1 144 . 1 1 29 29 PHE HA H 1 3.96 0.02 . 1 . . . . 29 PHE HA . 15776 1 145 . 1 1 29 29 PHE HB2 H 1 3.28 0.02 . 2 . . . . 29 PHE HB2 . 15776 1 146 . 1 1 29 29 PHE HB3 H 1 3.23 0.02 . 2 . . . . 29 PHE HB3 . 15776 1 147 . 1 1 29 29 PHE HD1 H 1 7.18 0.02 . 1 . . . . 29 PHE HD1 . 15776 1 148 . 1 1 29 29 PHE HD2 H 1 7.18 0.02 . 1 . . . . 29 PHE HD2 . 15776 1 149 . 1 1 29 29 PHE HE1 H 1 7.60 0.02 . 1 . . . . 29 PHE HE1 . 15776 1 150 . 1 1 29 29 PHE HE2 H 1 7.60 0.02 . 1 . . . . 29 PHE HE2 . 15776 1 151 . 1 1 29 29 PHE CA C 13 64.5 0.3 . 1 . . . . 29 PHE CA . 15776 1 152 . 1 1 29 29 PHE CB C 13 37.3 0.3 . 1 . . . . 29 PHE CB . 15776 1 153 . 1 1 29 29 PHE CD1 C 13 132.9 0.3 . 1 . . . . 29 PHE CD1 . 15776 1 154 . 1 1 29 29 PHE CD2 C 13 132.9 0.3 . 1 . . . . 29 PHE CD2 . 15776 1 155 . 1 1 29 29 PHE CE1 C 13 133.1 0.3 . 1 . . . . 29 PHE CE1 . 15776 1 156 . 1 1 29 29 PHE CE2 C 13 133.1 0.3 . 1 . . . . 29 PHE CE2 . 15776 1 157 . 1 1 29 29 PHE N N 15 124.6 0.3 . 1 . . . . 29 PHE N . 15776 1 158 . 1 1 30 30 PRO HA H 1 4.15 0.02 . 1 . . . . 30 PRO HA . 15776 1 159 . 1 1 30 30 PRO HB2 H 1 1.29 0.02 . 2 . . . . 30 PRO HB2 . 15776 1 160 . 1 1 30 30 PRO HB3 H 1 2.23 0.02 . 2 . . . . 30 PRO HB3 . 15776 1 161 . 1 1 30 30 PRO HD3 H 1 3.58 0.02 . 1 . . . . 30 PRO HD3 . 15776 1 162 . 1 1 30 30 PRO HG3 H 1 2.01 0.02 . 1 . . . . 30 PRO HG3 . 15776 1 163 . 1 1 30 30 PRO C C 13 176.6 0.3 . 1 . . . . 30 PRO C . 15776 1 164 . 1 1 30 30 PRO CA C 13 65.6 0.3 . 1 . . . . 30 PRO CA . 15776 1 165 . 1 1 30 30 PRO CB C 13 31.4 0.3 . 1 . . . . 30 PRO CB . 15776 1 166 . 1 1 30 30 PRO CD C 13 50.6 0.3 . 1 . . . . 30 PRO CD . 15776 1 167 . 1 1 30 30 PRO CG C 13 28.7 0.3 . 1 . . . . 30 PRO CG . 15776 1 168 . 1 1 31 31 TYR H H 1 7.54 0.02 . 1 . . . . 31 TYR H . 15776 1 169 . 1 1 31 31 TYR HA H 1 4.60 0.02 . 1 . . . . 31 TYR HA . 15776 1 170 . 1 1 31 31 TYR HB2 H 1 3.03 0.02 . 2 . . . . 31 TYR HB2 . 15776 1 171 . 1 1 31 31 TYR HB3 H 1 3.07 0.02 . 2 . . . . 31 TYR HB3 . 15776 1 172 . 1 1 31 31 TYR HD1 H 1 7.11 0.02 . 1 . . . . 31 TYR HD1 . 15776 1 173 . 1 1 31 31 TYR HD2 H 1 7.11 0.02 . 1 . . . . 31 TYR HD2 . 15776 1 174 . 1 1 31 31 TYR HE1 H 1 6.84 0.02 . 1 . . . . 31 TYR HE1 . 15776 1 175 . 1 1 31 31 TYR HE2 H 1 6.84 0.02 . 1 . . . . 31 TYR HE2 . 15776 1 176 . 1 1 31 31 TYR C C 13 176.5 0.3 . 1 . . . . 31 TYR C . 15776 1 177 . 1 1 31 31 TYR CA C 13 58.3 0.3 . 1 . . . . 31 TYR CA . 15776 1 178 . 1 1 31 31 TYR CB C 13 39.4 0.3 . 1 . . . . 31 TYR CB . 15776 1 179 . 1 1 31 31 TYR CD1 C 13 134.4 0.3 . 1 . . . . 31 TYR CD1 . 15776 1 180 . 1 1 31 31 TYR CD2 C 13 134.4 0.3 . 1 . . . . 31 TYR CD2 . 15776 1 181 . 1 1 31 31 TYR CE1 C 13 119.1 0.3 . 1 . . . . 31 TYR CE1 . 15776 1 182 . 1 1 31 31 TYR CE2 C 13 119.1 0.3 . 1 . . . . 31 TYR CE2 . 15776 1 183 . 1 1 31 31 TYR N N 15 113.5 0.3 . 1 . . . . 31 TYR N . 15776 1 184 . 1 1 32 32 SER H H 1 8.21 0.02 . 1 . . . . 32 SER H . 15776 1 185 . 1 1 32 32 SER HA H 1 4.77 0.02 . 1 . . . . 32 SER HA . 15776 1 186 . 1 1 32 32 SER HB2 H 1 3.70 0.02 . 2 . . . . 32 SER HB2 . 15776 1 187 . 1 1 32 32 SER HB3 H 1 3.87 0.02 . 2 . . . . 32 SER HB3 . 15776 1 188 . 1 1 32 32 SER CA C 13 55.7 0.3 . 1 . . . . 32 SER CA . 15776 1 189 . 1 1 32 32 SER CB C 13 63.2 0.3 . 1 . . . . 32 SER CB . 15776 1 190 . 1 1 32 32 SER N N 15 111.7 0.3 . 1 . . . . 32 SER N . 15776 1 191 . 1 1 33 33 PRO HA H 1 4.25 0.02 . 1 . . . . 33 PRO HA . 15776 1 192 . 1 1 33 33 PRO HB2 H 1 2.33 0.02 . 1 . . . . 33 PRO HB2 . 15776 1 193 . 1 1 33 33 PRO HD3 H 1 3.84 0.02 . 1 . . . . 33 PRO HD3 . 15776 1 194 . 1 1 33 33 PRO HG3 H 1 2.01 0.02 . 1 . . . . 33 PRO HG3 . 15776 1 195 . 1 1 33 33 PRO C C 13 179.0 0.3 . 1 . . . . 33 PRO C . 15776 1 196 . 1 1 33 33 PRO CA C 13 65.4 0.3 . 1 . . . . 33 PRO CA . 15776 1 197 . 1 1 33 33 PRO CB C 13 33.0 0.3 . 1 . . . . 33 PRO CB . 15776 1 198 . 1 1 33 33 PRO CD C 13 50.7 0.3 . 1 . . . . 33 PRO CD . 15776 1 199 . 1 1 33 33 PRO CG C 13 31.4 0.3 . 1 . . . . 33 PRO CG . 15776 1 200 . 1 1 34 34 GLU H H 1 8.39 0.02 . 1 . . . . 34 GLU H . 15776 1 201 . 1 1 34 34 GLU HA H 1 4.13 0.02 . 1 . . . . 34 GLU HA . 15776 1 202 . 1 1 34 34 GLU HB3 H 1 1.99 0.02 . 1 . . . . 34 GLU HB3 . 15776 1 203 . 1 1 34 34 GLU HG2 H 1 2.32 0.02 . 1 . . . . 34 GLU HG2 . 15776 1 204 . 1 1 34 34 GLU C C 13 178.7 0.3 . 1 . . . . 34 GLU C . 15776 1 205 . 1 1 34 34 GLU CA C 13 59.9 0.3 . 1 . . . . 34 GLU CA . 15776 1 206 . 1 1 34 34 GLU CB C 13 30.0 0.3 . 1 . . . . 34 GLU CB . 15776 1 207 . 1 1 34 34 GLU CG C 13 36.6 0.3 . 1 . . . . 34 GLU CG . 15776 1 208 . 1 1 34 34 GLU N N 15 118.5 0.3 . 1 . . . . 34 GLU N . 15776 1 209 . 1 1 35 35 LEU H H 1 7.97 0.02 . 1 . . . . 35 LEU H . 15776 1 210 . 1 1 35 35 LEU HA H 1 4.07 0.02 . 1 . . . . 35 LEU HA . 15776 1 211 . 1 1 35 35 LEU HB2 H 1 1.64 0.02 . 2 . . . . 35 LEU HB2 . 15776 1 212 . 1 1 35 35 LEU HB3 H 1 1.75 0.02 . 2 . . . . 35 LEU HB3 . 15776 1 213 . 1 1 35 35 LEU HD11 H 1 0.92 0.02 . 1 . . . . 35 LEU HD1 . 15776 1 214 . 1 1 35 35 LEU HD12 H 1 0.92 0.02 . 1 . . . . 35 LEU HD1 . 15776 1 215 . 1 1 35 35 LEU HD13 H 1 0.92 0.02 . 1 . . . . 35 LEU HD1 . 15776 1 216 . 1 1 35 35 LEU HG H 1 1.73 0.02 . 1 . . . . 35 LEU HG . 15776 1 217 . 1 1 35 35 LEU CA C 13 57.4 0.3 . 1 . . . . 35 LEU CA . 15776 1 218 . 1 1 35 35 LEU CB C 13 42.2 0.3 . 1 . . . . 35 LEU CB . 15776 1 219 . 1 1 35 35 LEU CD1 C 13 24.8 0.3 . 1 . . . . 35 LEU CD1 . 15776 1 220 . 1 1 35 35 LEU CG C 13 27.4 0.3 . 1 . . . . 35 LEU CG . 15776 1 221 . 1 1 35 35 LEU N N 15 122.0 0.3 . 1 . . . . 35 LEU N . 15776 1 222 . 1 1 36 36 ALA H H 1 7.86 0.02 . 1 . . . . 36 ALA H . 15776 1 223 . 1 1 36 36 ALA HA H 1 4.04 0.02 . 1 . . . . 36 ALA HA . 15776 1 224 . 1 1 36 36 ALA HB1 H 1 1.82 0.02 . 1 . . . . 36 ALA HB . 15776 1 225 . 1 1 36 36 ALA HB2 H 1 1.82 0.02 . 1 . . . . 36 ALA HB . 15776 1 226 . 1 1 36 36 ALA HB3 H 1 1.82 0.02 . 1 . . . . 36 ALA HB . 15776 1 227 . 1 1 36 36 ALA C C 13 178.6 0.3 . 1 . . . . 36 ALA C . 15776 1 228 . 1 1 36 36 ALA CA C 13 56.4 0.3 . 1 . . . . 36 ALA CA . 15776 1 229 . 1 1 36 36 ALA CB C 13 19.5 0.3 . 1 . . . . 36 ALA CB . 15776 1 230 . 1 1 36 36 ALA N N 15 121.0 0.3 . 1 . . . . 36 ALA N . 15776 1 231 . 1 1 37 37 LYS H H 1 7.91 0.02 . 1 . . . . 37 LYS H . 15776 1 232 . 1 1 37 37 LYS HA H 1 4.30 0.02 . 1 . . . . 37 LYS HA . 15776 1 233 . 1 1 37 37 LYS HB3 H 1 2.24 0.02 . 1 . . . . 37 LYS HB3 . 15776 1 234 . 1 1 37 37 LYS HD2 H 1 1.79 0.02 . 1 . . . . 37 LYS HD2 . 15776 1 235 . 1 1 37 37 LYS HE3 H 1 3.08 0.02 . 1 . . . . 37 LYS HE3 . 15776 1 236 . 1 1 37 37 LYS HG3 H 1 1.43 0.02 . 1 . . . . 37 LYS HG3 . 15776 1 237 . 1 1 37 37 LYS C C 13 177.8 0.3 . 1 . . . . 37 LYS C . 15776 1 238 . 1 1 37 37 LYS CA C 13 59.7 0.3 . 1 . . . . 37 LYS CA . 15776 1 239 . 1 1 37 37 LYS CB C 13 32.4 0.3 . 1 . . . . 37 LYS CB . 15776 1 240 . 1 1 37 37 LYS CD C 13 29.5 0.3 . 1 . . . . 37 LYS CD . 15776 1 241 . 1 1 37 37 LYS CE C 13 42.6 0.3 . 1 . . . . 37 LYS CE . 15776 1 242 . 1 1 37 37 LYS CG C 13 25.0 0.3 . 1 . . . . 37 LYS CG . 15776 1 243 . 1 1 37 37 LYS N N 15 117.7 0.3 . 1 . . . . 37 LYS N . 15776 1 244 . 1 1 38 38 ARG H H 1 7.64 0.02 . 1 . . . . 38 ARG H . 15776 1 245 . 1 1 38 38 ARG HA H 1 4.09 0.02 . 1 . . . . 38 ARG HA . 15776 1 246 . 1 1 38 38 ARG HB2 H 1 1.89 0.02 . 2 . . . . 38 ARG HB2 . 15776 1 247 . 1 1 38 38 ARG HB3 H 1 1.99 0.02 . 2 . . . . 38 ARG HB3 . 15776 1 248 . 1 1 38 38 ARG HD2 H 1 3.12 0.02 . 2 . . . . 38 ARG HD2 . 15776 1 249 . 1 1 38 38 ARG HD3 H 1 3.14 0.02 . 2 . . . . 38 ARG HD3 . 15776 1 250 . 1 1 38 38 ARG HG3 H 1 1.71 0.02 . 1 . . . . 38 ARG HG3 . 15776 1 251 . 1 1 38 38 ARG C C 13 179.6 0.3 . 1 . . . . 38 ARG C . 15776 1 252 . 1 1 38 38 ARG CA C 13 59.3 0.3 . 1 . . . . 38 ARG CA . 15776 1 253 . 1 1 38 38 ARG CB C 13 30.0 0.3 . 1 . . . . 38 ARG CB . 15776 1 254 . 1 1 38 38 ARG CD C 13 43.6 0.3 . 1 . . . . 38 ARG CD . 15776 1 255 . 1 1 38 38 ARG CG C 13 24.5 0.3 . 1 . . . . 38 ARG CG . 15776 1 256 . 1 1 38 38 ARG N N 15 118.2 0.3 . 1 . . . . 38 ARG N . 15776 1 257 . 1 1 39 39 TYR H H 1 7.86 0.02 . 1 . . . . 39 TYR H . 15776 1 258 . 1 1 39 39 TYR HA H 1 4.29 0.02 . 1 . . . . 39 TYR HA . 15776 1 259 . 1 1 39 39 TYR HB3 H 1 1.90 0.02 . 1 . . . . 39 TYR HB3 . 15776 1 260 . 1 1 39 39 TYR HD1 H 1 6.92 0.02 . 1 . . . . 39 TYR HD1 . 15776 1 261 . 1 1 39 39 TYR HD2 H 1 6.92 0.02 . 1 . . . . 39 TYR HD2 . 15776 1 262 . 1 1 39 39 TYR HE1 H 1 6.60 0.02 . 1 . . . . 39 TYR HE1 . 15776 1 263 . 1 1 39 39 TYR HE2 H 1 6.60 0.02 . 1 . . . . 39 TYR HE2 . 15776 1 264 . 1 1 39 39 TYR C C 13 177.8 0.3 . 1 . . . . 39 TYR C . 15776 1 265 . 1 1 39 39 TYR CA C 13 62.5 0.3 . 1 . . . . 39 TYR CA . 15776 1 266 . 1 1 39 39 TYR CB C 13 38.3 0.3 . 1 . . . . 39 TYR CB . 15776 1 267 . 1 1 39 39 TYR CD1 C 13 133.0 0.3 . 1 . . . . 39 TYR CD1 . 15776 1 268 . 1 1 39 39 TYR CD2 C 13 133.0 0.3 . 1 . . . . 39 TYR CD2 . 15776 1 269 . 1 1 39 39 TYR CE1 C 13 118.7 0.3 . 1 . . . . 39 TYR CE1 . 15776 1 270 . 1 1 39 39 TYR CE2 C 13 118.7 0.3 . 1 . . . . 39 TYR CE2 . 15776 1 271 . 1 1 39 39 TYR N N 15 119.2 0.3 . 1 . . . . 39 TYR N . 15776 1 272 . 1 1 40 40 VAL H H 1 7.96 0.02 . 1 . . . . 40 VAL H . 15776 1 273 . 1 1 40 40 VAL HA H 1 2.75 0.02 . 1 . . . . 40 VAL HA . 15776 1 274 . 1 1 40 40 VAL HB H 1 2.73 0.02 . 1 . . . . 40 VAL HB . 15776 1 275 . 1 1 40 40 VAL HG11 H 1 1.10 0.02 . 1 . . . . 40 VAL HG1 . 15776 1 276 . 1 1 40 40 VAL HG12 H 1 1.10 0.02 . 1 . . . . 40 VAL HG1 . 15776 1 277 . 1 1 40 40 VAL HG13 H 1 1.10 0.02 . 1 . . . . 40 VAL HG1 . 15776 1 278 . 1 1 40 40 VAL HG21 H 1 0.66 0.02 . 1 . . . . 40 VAL HG2 . 15776 1 279 . 1 1 40 40 VAL HG22 H 1 0.66 0.02 . 1 . . . . 40 VAL HG2 . 15776 1 280 . 1 1 40 40 VAL HG23 H 1 0.66 0.02 . 1 . . . . 40 VAL HG2 . 15776 1 281 . 1 1 40 40 VAL C C 13 177.8 0.3 . 1 . . . . 40 VAL C . 15776 1 282 . 1 1 40 40 VAL CA C 13 67.3 0.3 . 1 . . . . 40 VAL CA . 15776 1 283 . 1 1 40 40 VAL CB C 13 31.4 0.3 . 1 . . . . 40 VAL CB . 15776 1 284 . 1 1 40 40 VAL CG1 C 13 23.3 0.3 . 1 . . . . 40 VAL CG1 . 15776 1 285 . 1 1 40 40 VAL CG2 C 13 22.0 0.3 . 1 . . . . 40 VAL CG2 . 15776 1 286 . 1 1 40 40 VAL N N 15 120.8 0.3 . 1 . . . . 40 VAL N . 15776 1 287 . 1 1 41 41 GLU H H 1 8.66 0.02 . 1 . . . . 41 GLU H . 15776 1 288 . 1 1 41 41 GLU HA H 1 3.68 0.02 . 1 . . . . 41 GLU HA . 15776 1 289 . 1 1 41 41 GLU HB3 H 1 2.22 0.02 . 1 . . . . 41 GLU HB3 . 15776 1 290 . 1 1 41 41 GLU HG3 H 1 2.64 0.02 . 1 . . . . 41 GLU HG3 . 15776 1 291 . 1 1 41 41 GLU C C 13 179.9 0.3 . 1 . . . . 41 GLU C . 15776 1 292 . 1 1 41 41 GLU CA C 13 60.5 0.3 . 1 . . . . 41 GLU CA . 15776 1 293 . 1 1 41 41 GLU CB C 13 29.4 0.3 . 1 . . . . 41 GLU CB . 15776 1 294 . 1 1 41 41 GLU CG C 13 38.3 0.3 . 1 . . . . 41 GLU CG . 15776 1 295 . 1 1 41 41 GLU N N 15 117.0 0.3 . 1 . . . . 41 GLU N . 15776 1 296 . 1 1 42 42 LEU H H 1 7.96 0.02 . 1 . . . . 42 LEU H . 15776 1 297 . 1 1 42 42 LEU HA H 1 4.13 0.02 . 1 . . . . 42 LEU HA . 15776 1 298 . 1 1 42 42 LEU HB3 H 1 1.90 0.02 . 1 . . . . 42 LEU HB3 . 15776 1 299 . 1 1 42 42 LEU HD11 H 1 0.94 0.02 . 1 . . . . 42 LEU HD1 . 15776 1 300 . 1 1 42 42 LEU HD12 H 1 0.94 0.02 . 1 . . . . 42 LEU HD1 . 15776 1 301 . 1 1 42 42 LEU HD13 H 1 0.94 0.02 . 1 . . . . 42 LEU HD1 . 15776 1 302 . 1 1 42 42 LEU HD21 H 1 0.87 0.02 . 1 . . . . 42 LEU HD2 . 15776 1 303 . 1 1 42 42 LEU HD22 H 1 0.87 0.02 . 1 . . . . 42 LEU HD2 . 15776 1 304 . 1 1 42 42 LEU HD23 H 1 0.87 0.02 . 1 . . . . 42 LEU HD2 . 15776 1 305 . 1 1 42 42 LEU HG H 1 1.74 0.02 . 1 . . . . 42 LEU HG . 15776 1 306 . 1 1 42 42 LEU C C 13 178.3 0.3 . 1 . . . . 42 LEU C . 15776 1 307 . 1 1 42 42 LEU CA C 13 58.0 0.3 . 1 . . . . 42 LEU CA . 15776 1 308 . 1 1 42 42 LEU CB C 13 42.3 0.3 . 1 . . . . 42 LEU CB . 15776 1 309 . 1 1 42 42 LEU CD1 C 13 24.7 0.3 . 1 . . . . 42 LEU CD1 . 15776 1 310 . 1 1 42 42 LEU CD2 C 13 24.1 0.3 . 1 . . . . 42 LEU CD2 . 15776 1 311 . 1 1 42 42 LEU CG C 13 27.5 0.3 . 1 . . . . 42 LEU CG . 15776 1 312 . 1 1 42 42 LEU N N 15 120.3 0.3 . 1 . . . . 42 LEU N . 15776 1 313 . 1 1 43 43 ALA H H 1 8.04 0.02 . 1 . . . . 43 ALA H . 15776 1 314 . 1 1 43 43 ALA HA H 1 3.74 0.02 . 1 . . . . 43 ALA HA . 15776 1 315 . 1 1 43 43 ALA HB1 H 1 1.14 0.02 . 1 . . . . 43 ALA HB . 15776 1 316 . 1 1 43 43 ALA HB2 H 1 1.14 0.02 . 1 . . . . 43 ALA HB . 15776 1 317 . 1 1 43 43 ALA HB3 H 1 1.14 0.02 . 1 . . . . 43 ALA HB . 15776 1 318 . 1 1 43 43 ALA C C 13 179.4 0.3 . 1 . . . . 43 ALA C . 15776 1 319 . 1 1 43 43 ALA CA C 13 55.7 0.3 . 1 . . . . 43 ALA CA . 15776 1 320 . 1 1 43 43 ALA CB C 13 18.5 0.3 . 1 . . . . 43 ALA CB . 15776 1 321 . 1 1 43 43 ALA N N 15 123.6 0.3 . 1 . . . . 43 ALA N . 15776 1 322 . 1 1 44 44 LEU H H 1 8.34 0.02 . 1 . . . . 44 LEU H . 15776 1 323 . 1 1 44 44 LEU HA H 1 4.07 0.02 . 1 . . . . 44 LEU HA . 15776 1 324 . 1 1 44 44 LEU HB2 H 1 1.35 0.02 . 2 . . . . 44 LEU HB2 . 15776 1 325 . 1 1 44 44 LEU HB3 H 1 1.68 0.02 . 2 . . . . 44 LEU HB3 . 15776 1 326 . 1 1 44 44 LEU HD11 H 1 0.50 0.02 . 1 . . . . 44 LEU HD1 . 15776 1 327 . 1 1 44 44 LEU HD12 H 1 0.50 0.02 . 1 . . . . 44 LEU HD1 . 15776 1 328 . 1 1 44 44 LEU HD13 H 1 0.50 0.02 . 1 . . . . 44 LEU HD1 . 15776 1 329 . 1 1 44 44 LEU HD21 H 1 0.26 0.02 . 1 . . . . 44 LEU HD2 . 15776 1 330 . 1 1 44 44 LEU HD22 H 1 0.26 0.02 . 1 . . . . 44 LEU HD2 . 15776 1 331 . 1 1 44 44 LEU HD23 H 1 0.26 0.02 . 1 . . . . 44 LEU HD2 . 15776 1 332 . 1 1 44 44 LEU HG H 1 1.63 0.02 . 1 . . . . 44 LEU HG . 15776 1 333 . 1 1 44 44 LEU C C 13 180.0 0.3 . 1 . . . . 44 LEU C . 15776 1 334 . 1 1 44 44 LEU CA C 13 57.5 0.3 . 1 . . . . 44 LEU CA . 15776 1 335 . 1 1 44 44 LEU CB C 13 40.8 0.3 . 1 . . . . 44 LEU CB . 15776 1 336 . 1 1 44 44 LEU CD1 C 13 21.3 0.3 . 1 . . . . 44 LEU CD1 . 15776 1 337 . 1 1 44 44 LEU CD2 C 13 24.8 0.3 . 1 . . . . 44 LEU CD2 . 15776 1 338 . 1 1 44 44 LEU CG C 13 27.0 0.3 . 1 . . . . 44 LEU CG . 15776 1 339 . 1 1 44 44 LEU N N 15 116.8 0.3 . 1 . . . . 44 LEU N . 15776 1 340 . 1 1 45 45 LEU H H 1 7.86 0.02 . 1 . . . . 45 LEU H . 15776 1 341 . 1 1 45 45 LEU HA H 1 4.17 0.02 . 1 . . . . 45 LEU HA . 15776 1 342 . 1 1 45 45 LEU HB2 H 1 1.89 0.02 . 2 . . . . 45 LEU HB2 . 15776 1 343 . 1 1 45 45 LEU HB3 H 1 1.81 0.02 . 2 . . . . 45 LEU HB3 . 15776 1 344 . 1 1 45 45 LEU HD11 H 1 0.87 0.02 . 1 . . . . 45 LEU HD1 . 15776 1 345 . 1 1 45 45 LEU HD12 H 1 0.87 0.02 . 1 . . . . 45 LEU HD1 . 15776 1 346 . 1 1 45 45 LEU HD13 H 1 0.87 0.02 . 1 . . . . 45 LEU HD1 . 15776 1 347 . 1 1 45 45 LEU HD21 H 1 0.922 0.02 . 1 . . . . 45 LEU HD2 . 15776 1 348 . 1 1 45 45 LEU HD22 H 1 0.922 0.02 . 1 . . . . 45 LEU HD2 . 15776 1 349 . 1 1 45 45 LEU HD23 H 1 0.922 0.02 . 1 . . . . 45 LEU HD2 . 15776 1 350 . 1 1 45 45 LEU HG H 1 1.71 0.02 . 1 . . . . 45 LEU HG . 15776 1 351 . 1 1 45 45 LEU C C 13 179.6 0.3 . 1 . . . . 45 LEU C . 15776 1 352 . 1 1 45 45 LEU CA C 13 58.4 0.3 . 1 . . . . 45 LEU CA . 15776 1 353 . 1 1 45 45 LEU CB C 13 42.2 0.3 . 1 . . . . 45 LEU CB . 15776 1 354 . 1 1 45 45 LEU CD1 C 13 24.17 0.3 . 1 . . . . 45 LEU CD1 . 15776 1 355 . 1 1 45 45 LEU CD2 C 13 24.47 0.3 . 1 . . . . 45 LEU CD2 . 15776 1 356 . 1 1 45 45 LEU CG C 13 27.22 0.3 . 1 . . . . 45 LEU CG . 15776 1 357 . 1 1 45 45 LEU N N 15 122.6 0.3 . 1 . . . . 45 LEU N . 15776 1 358 . 1 1 46 46 VAL H H 1 8.07 0.02 . 1 . . . . 46 VAL H . 15776 1 359 . 1 1 46 46 VAL HA H 1 3.61 0.02 . 1 . . . . 46 VAL HA . 15776 1 360 . 1 1 46 46 VAL HB H 1 2.21 0.02 . 1 . . . . 46 VAL HB . 15776 1 361 . 1 1 46 46 VAL HG11 H 1 1.02 0.02 . 1 . . . . 46 VAL HG1 . 15776 1 362 . 1 1 46 46 VAL HG12 H 1 1.02 0.02 . 1 . . . . 46 VAL HG1 . 15776 1 363 . 1 1 46 46 VAL HG13 H 1 1.02 0.02 . 1 . . . . 46 VAL HG1 . 15776 1 364 . 1 1 46 46 VAL HG21 H 1 0.92 0.02 . 1 . . . . 46 VAL HG2 . 15776 1 365 . 1 1 46 46 VAL HG22 H 1 0.92 0.02 . 1 . . . . 46 VAL HG2 . 15776 1 366 . 1 1 46 46 VAL HG23 H 1 0.92 0.02 . 1 . . . . 46 VAL HG2 . 15776 1 367 . 1 1 46 46 VAL CA C 13 66.8 0.3 . 1 . . . . 46 VAL CA . 15776 1 368 . 1 1 46 46 VAL CB C 13 31.6 0.3 . 1 . . . . 46 VAL CB . 15776 1 369 . 1 1 46 46 VAL CG1 C 13 23.0 0.3 . 1 . . . . 46 VAL CG1 . 15776 1 370 . 1 1 46 46 VAL N N 15 120.1 0.3 . 1 . . . . 46 VAL N . 15776 1 371 . 1 1 47 47 GLN H H 1 8.36 0.02 . 1 . . . . 47 GLN H . 15776 1 372 . 1 1 47 47 GLN HA H 1 3.86 0.02 . 1 . . . . 47 GLN HA . 15776 1 373 . 1 1 47 47 GLN HB3 H 1 1.94 0.02 . 1 . . . . 47 GLN HB3 . 15776 1 374 . 1 1 47 47 GLN HE21 H 1 7.60 0.02 . 1 . . . . 47 GLN HE21 . 15776 1 375 . 1 1 47 47 GLN HE22 H 1 6.57 0.02 . 1 . . . . 47 GLN HE22 . 15776 1 376 . 1 1 47 47 GLN HG2 H 1 2.47 0.02 . 2 . . . . 47 GLN HG2 . 15776 1 377 . 1 1 47 47 GLN HG3 H 1 2.50 0.02 . 2 . . . . 47 GLN HG3 . 15776 1 378 . 1 1 47 47 GLN C C 13 178.0 0.3 . 1 . . . . 47 GLN C . 15776 1 379 . 1 1 47 47 GLN CA C 13 60.2 0.3 . 1 . . . . 47 GLN CA . 15776 1 380 . 1 1 47 47 GLN CB C 13 27.8 0.3 . 1 . . . . 47 GLN CB . 15776 1 381 . 1 1 47 47 GLN CG C 13 33.0 0.3 . 1 . . . . 47 GLN CG . 15776 1 382 . 1 1 47 47 GLN N N 15 120.0 0.3 . 1 . . . . 47 GLN N . 15776 1 383 . 1 1 47 47 GLN NE2 N 15 109.0 0.3 . 1 . . . . 47 GLN NE2 . 15776 1 384 . 1 1 48 48 GLN H H 1 8.11 0.02 . 1 . . . . 48 GLN H . 15776 1 385 . 1 1 48 48 GLN HA H 1 4.08 0.02 . 1 . . . . 48 GLN HA . 15776 1 386 . 1 1 48 48 GLN HB2 H 1 2.23 0.02 . 2 . . . . 48 GLN HB2 . 15776 1 387 . 1 1 48 48 GLN HB3 H 1 2.27 0.02 . 2 . . . . 48 GLN HB3 . 15776 1 388 . 1 1 48 48 GLN HE21 H 1 7.33 0.02 . 1 . . . . 48 GLN HE21 . 15776 1 389 . 1 1 48 48 GLN HE22 H 1 6.79 0.02 . 1 . . . . 48 GLN HE22 . 15776 1 390 . 1 1 48 48 GLN HG2 H 1 2.48 0.02 . 2 . . . . 48 GLN HG2 . 15776 1 391 . 1 1 48 48 GLN HG3 H 1 2.64 0.02 . 2 . . . . 48 GLN HG3 . 15776 1 392 . 1 1 48 48 GLN C C 13 178.5 0.3 . 1 . . . . 48 GLN C . 15776 1 393 . 1 1 48 48 GLN CA C 13 58.9 0.3 . 1 . . . . 48 GLN CA . 15776 1 394 . 1 1 48 48 GLN CB C 13 29.4 0.3 . 1 . . . . 48 GLN CB . 15776 1 395 . 1 1 48 48 GLN CG C 13 34.5 0.3 . 1 . . . . 48 GLN CG . 15776 1 396 . 1 1 48 48 GLN N N 15 117.6 0.3 . 1 . . . . 48 GLN N . 15776 1 397 . 1 1 48 48 GLN NE2 N 15 110.8 0.3 . 1 . . . . 48 GLN NE2 . 15776 1 398 . 1 1 49 49 LYS H H 1 8.11 0.02 . 1 . . . . 49 LYS H . 15776 1 399 . 1 1 49 49 LYS HA H 1 4.19 0.02 . 1 . . . . 49 LYS HA . 15776 1 400 . 1 1 49 49 LYS HB3 H 1 1.95 0.02 . 1 . . . . 49 LYS HB3 . 15776 1 401 . 1 1 49 49 LYS HD3 H 1 1.73 0.02 . 1 . . . . 49 LYS HD3 . 15776 1 402 . 1 1 49 49 LYS HE2 H 1 3.23 0.02 . 2 . . . . 49 LYS HE2 . 15776 1 403 . 1 1 49 49 LYS HE3 H 1 3.29 0.02 . 2 . . . . 49 LYS HE3 . 15776 1 404 . 1 1 49 49 LYS HG3 H 1 1.49 0.02 . 1 . . . . 49 LYS HG3 . 15776 1 405 . 1 1 49 49 LYS C C 13 177.8 0.3 . 1 . . . . 49 LYS C . 15776 1 406 . 1 1 49 49 LYS CA C 13 58.6 0.3 . 1 . . . . 49 LYS CA . 15776 1 407 . 1 1 49 49 LYS CB C 13 33.0 0.3 . 1 . . . . 49 LYS CB . 15776 1 408 . 1 1 49 49 LYS CD C 13 28.0 0.3 . 1 . . . . 49 LYS CD . 15776 1 409 . 1 1 49 49 LYS CE C 13 44.0 0.3 . 1 . . . . 49 LYS CE . 15776 1 410 . 1 1 49 49 LYS CG C 13 25.4 0.3 . 1 . . . . 49 LYS CG . 15776 1 411 . 1 1 49 49 LYS N N 15 118.1 0.3 . 1 . . . . 49 LYS N . 15776 1 412 . 1 1 50 50 ALA H H 1 8.24 0.02 . 1 . . . . 50 ALA H . 15776 1 413 . 1 1 50 50 ALA HA H 1 4.46 0.02 . 1 . . . . 50 ALA HA . 15776 1 414 . 1 1 50 50 ALA HB1 H 1 1.55 0.02 . 1 . . . . 50 ALA HB . 15776 1 415 . 1 1 50 50 ALA HB2 H 1 1.55 0.02 . 1 . . . . 50 ALA HB . 15776 1 416 . 1 1 50 50 ALA HB3 H 1 1.55 0.02 . 1 . . . . 50 ALA HB . 15776 1 417 . 1 1 50 50 ALA C C 13 176.7 0.3 . 1 . . . . 50 ALA C . 15776 1 418 . 1 1 50 50 ALA CA C 13 52.7 0.3 . 1 . . . . 50 ALA CA . 15776 1 419 . 1 1 50 50 ALA CB C 13 21.1 0.3 . 1 . . . . 50 ALA CB . 15776 1 420 . 1 1 50 50 ALA N N 15 119.0 0.3 . 1 . . . . 50 ALA N . 15776 1 421 . 1 1 51 51 LYS H H 1 8.00 0.02 . 1 . . . . 51 LYS H . 15776 1 422 . 1 1 51 51 LYS HA H 1 4.03 0.02 . 1 . . . . 51 LYS HA . 15776 1 423 . 1 1 51 51 LYS HB2 H 1 1.94 0.02 . 2 . . . . 51 LYS HB2 . 15776 1 424 . 1 1 51 51 LYS HB3 H 1 2.05 0.02 . 2 . . . . 51 LYS HB3 . 15776 1 425 . 1 1 51 51 LYS HD3 H 1 1.75 0.02 . 1 . . . . 51 LYS HD3 . 15776 1 426 . 1 1 51 51 LYS HE2 H 1 3.03 0.02 . 2 . . . . 51 LYS HE2 . 15776 1 427 . 1 1 51 51 LYS HE3 H 1 3.07 0.02 . 2 . . . . 51 LYS HE3 . 15776 1 428 . 1 1 51 51 LYS HG3 H 1 1.42 0.02 . 1 . . . . 51 LYS HG3 . 15776 1 429 . 1 1 51 51 LYS C C 13 175.8 0.3 . 1 . . . . 51 LYS C . 15776 1 430 . 1 1 51 51 LYS CA C 13 57.5 0.3 . 1 . . . . 51 LYS CA . 15776 1 431 . 1 1 51 51 LYS CB C 13 29.5 0.3 . 1 . . . . 51 LYS CB . 15776 1 432 . 1 1 51 51 LYS CD C 13 29.8 0.3 . 1 . . . . 51 LYS CD . 15776 1 433 . 1 1 51 51 LYS CE C 13 42.9 0.3 . 1 . . . . 51 LYS CE . 15776 1 434 . 1 1 51 51 LYS CG C 13 25.2 0.3 . 1 . . . . 51 LYS CG . 15776 1 435 . 1 1 51 51 LYS N N 15 114.5 0.3 . 1 . . . . 51 LYS N . 15776 1 436 . 1 1 52 52 VAL H H 1 7.00 0.02 . 1 . . . . 52 VAL H . 15776 1 437 . 1 1 52 52 VAL HA H 1 4.57 0.02 . 1 . . . . 52 VAL HA . 15776 1 438 . 1 1 52 52 VAL HB H 1 2.30 0.02 . 1 . . . . 52 VAL HB . 15776 1 439 . 1 1 52 52 VAL HG11 H 1 1.01 0.02 . 1 . . . . 52 VAL HG1 . 15776 1 440 . 1 1 52 52 VAL HG12 H 1 1.01 0.02 . 1 . . . . 52 VAL HG1 . 15776 1 441 . 1 1 52 52 VAL HG13 H 1 1.01 0.02 . 1 . . . . 52 VAL HG1 . 15776 1 442 . 1 1 52 52 VAL HG21 H 1 0.88 0.02 . 1 . . . . 52 VAL HG2 . 15776 1 443 . 1 1 52 52 VAL HG22 H 1 0.88 0.02 . 1 . . . . 52 VAL HG2 . 15776 1 444 . 1 1 52 52 VAL HG23 H 1 0.88 0.02 . 1 . . . . 52 VAL HG2 . 15776 1 445 . 1 1 52 52 VAL C C 13 175.0 0.3 . 1 . . . . 52 VAL C . 15776 1 446 . 1 1 52 52 VAL CA C 13 59.6 0.3 . 1 . . . . 52 VAL CA . 15776 1 447 . 1 1 52 52 VAL CB C 13 34.9 0.3 . 1 . . . . 52 VAL CB . 15776 1 448 . 1 1 52 52 VAL CG1 C 13 22.0 0.3 . 1 . . . . 52 VAL CG1 . 15776 1 449 . 1 1 52 52 VAL CG2 C 13 20.1 0.3 . 1 . . . . 52 VAL CG2 . 15776 1 450 . 1 1 52 52 VAL N N 15 111.6 0.3 . 1 . . . . 52 VAL N . 15776 1 451 . 1 1 53 53 LYS H H 1 8.15 0.02 . 1 . . . . 53 LYS H . 15776 1 452 . 1 1 53 53 LYS HA H 1 4.51 0.02 . 1 . . . . 53 LYS HA . 15776 1 453 . 1 1 53 53 LYS HB2 H 1 1.74 0.02 . 1 . . . . 53 LYS HB2 . 15776 1 454 . 1 1 53 53 LYS C C 13 176.8 0.3 . 1 . . . . 53 LYS C . 15776 1 455 . 1 1 53 53 LYS CA C 13 55.7 0.3 . 1 . . . . 53 LYS CA . 15776 1 456 . 1 1 53 53 LYS CB C 13 34.0 0.3 . 1 . . . . 53 LYS CB . 15776 1 457 . 1 1 53 53 LYS N N 15 120.8 0.3 . 1 . . . . 53 LYS N . 15776 1 458 . 1 1 54 54 ILE H H 1 8.37 0.02 . 1 . . . . 54 ILE H . 15776 1 459 . 1 1 54 54 ILE HA H 1 4.53 0.02 . 1 . . . . 54 ILE HA . 15776 1 460 . 1 1 54 54 ILE HB H 1 2.01 0.02 . 1 . . . . 54 ILE HB . 15776 1 461 . 1 1 54 54 ILE HD11 H 1 0.94 0.02 . 1 . . . . 54 ILE HD1 . 15776 1 462 . 1 1 54 54 ILE HD12 H 1 0.94 0.02 . 1 . . . . 54 ILE HD1 . 15776 1 463 . 1 1 54 54 ILE HD13 H 1 0.94 0.02 . 1 . . . . 54 ILE HD1 . 15776 1 464 . 1 1 54 54 ILE HG12 H 1 1.30 0.02 . 2 . . . . 54 ILE HG12 . 15776 1 465 . 1 1 54 54 ILE HG13 H 1 1.61 0.02 . 2 . . . . 54 ILE HG13 . 15776 1 466 . 1 1 54 54 ILE HG21 H 1 1.25 0.02 . 1 . . . . 54 ILE HG2 . 15776 1 467 . 1 1 54 54 ILE HG22 H 1 1.25 0.02 . 1 . . . . 54 ILE HG2 . 15776 1 468 . 1 1 54 54 ILE HG23 H 1 1.25 0.02 . 1 . . . . 54 ILE HG2 . 15776 1 469 . 1 1 54 54 ILE CA C 13 58.7 0.3 . 1 . . . . 54 ILE CA . 15776 1 470 . 1 1 54 54 ILE CB C 13 38.4 0.3 . 1 . . . . 54 ILE CB . 15776 1 471 . 1 1 54 54 ILE CD1 C 13 12.3 0.3 . 1 . . . . 54 ILE CD1 . 15776 1 472 . 1 1 54 54 ILE CG1 C 13 27.7 0.3 . 1 . . . . 54 ILE CG1 . 15776 1 473 . 1 1 54 54 ILE CG2 C 13 17.4 0.3 . 1 . . . . 54 ILE CG2 . 15776 1 474 . 1 1 54 54 ILE N N 15 122.5 0.3 . 1 . . . . 54 ILE N . 15776 1 475 . 1 1 57 57 LYS HA H 1 3.78 0.02 . 1 . . . . 57 LYS HA . 15776 1 476 . 1 1 57 57 LYS HB2 H 1 0.91 0.02 . 2 . . . . 57 LYS HB2 . 15776 1 477 . 1 1 57 57 LYS HB3 H 1 1.46 0.02 . 2 . . . . 57 LYS HB3 . 15776 1 478 . 1 1 57 57 LYS HD2 H 1 1.18 0.02 . 2 . . . . 57 LYS HD2 . 15776 1 479 . 1 1 57 57 LYS HD3 H 1 1.25 0.02 . 2 . . . . 57 LYS HD3 . 15776 1 480 . 1 1 57 57 LYS HE2 H 1 2.25 0.02 . 2 . . . . 57 LYS HE2 . 15776 1 481 . 1 1 57 57 LYS HE3 H 1 2.52 0.02 . 2 . . . . 57 LYS HE3 . 15776 1 482 . 1 1 57 57 LYS HG2 H 1 0.12 0.02 . 2 . . . . 57 LYS HG2 . 15776 1 483 . 1 1 57 57 LYS HG3 H 1 0.18 0.02 . 2 . . . . 57 LYS HG3 . 15776 1 484 . 1 1 57 57 LYS C C 13 176.3 0.3 . 1 . . . . 57 LYS C . 15776 1 485 . 1 1 57 57 LYS CA C 13 59.0 0.3 . 1 . . . . 57 LYS CA . 15776 1 486 . 1 1 57 57 LYS CB C 13 32.3 0.3 . 1 . . . . 57 LYS CB . 15776 1 487 . 1 1 57 57 LYS CD C 13 29.7 0.3 . 1 . . . . 57 LYS CD . 15776 1 488 . 1 1 57 57 LYS CE C 13 41.9 0.3 . 1 . . . . 57 LYS CE . 15776 1 489 . 1 1 57 57 LYS CG C 13 23.7 0.3 . 1 . . . . 57 LYS CG . 15776 1 490 . 1 1 58 58 TRP H H 1 7.25 0.02 . 1 . . . . 58 TRP H . 15776 1 491 . 1 1 58 58 TRP HA H 1 4.85 0.02 . 1 . . . . 58 TRP HA . 15776 1 492 . 1 1 58 58 TRP HB2 H 1 1.94 0.02 . 2 . . . . 58 TRP HB2 . 15776 1 493 . 1 1 58 58 TRP HB3 H 1 1.99 0.02 . 2 . . . . 58 TRP HB3 . 15776 1 494 . 1 1 58 58 TRP HD1 H 1 6.60 0.02 . 1 . . . . 58 TRP HD1 . 15776 1 495 . 1 1 58 58 TRP HE1 H 1 11.24 0.02 . 1 . . . . 58 TRP HE1 . 15776 1 496 . 1 1 58 58 TRP HE3 H 1 6.65 0.02 . 1 . . . . 58 TRP HE3 . 15776 1 497 . 1 1 58 58 TRP HH2 H 1 7.41 0.02 . 1 . . . . 58 TRP HH2 . 15776 1 498 . 1 1 58 58 TRP HZ2 H 1 7.59 0.02 . 1 . . . . 58 TRP HZ2 . 15776 1 499 . 1 1 58 58 TRP HZ3 H 1 7.27 0.02 . 1 . . . . 58 TRP HZ3 . 15776 1 500 . 1 1 58 58 TRP C C 13 176.8 0.3 . 1 . . . . 58 TRP C . 15776 1 501 . 1 1 58 58 TRP CA C 13 55.4 0.3 . 1 . . . . 58 TRP CA . 15776 1 502 . 1 1 58 58 TRP CB C 13 31.3 0.3 . 1 . . . . 58 TRP CB . 15776 1 503 . 1 1 58 58 TRP CD1 C 13 129.7 0.3 . 1 . . . . 58 TRP CD1 . 15776 1 504 . 1 1 58 58 TRP CE3 C 13 125.9 0.3 . 1 . . . . 58 TRP CE3 . 15776 1 505 . 1 1 58 58 TRP CH2 C 13 126.2 0.3 . 1 . . . . 58 TRP CH2 . 15776 1 506 . 1 1 58 58 TRP CZ2 C 13 116.5 0.3 . 1 . . . . 58 TRP CZ2 . 15776 1 507 . 1 1 58 58 TRP CZ3 C 13 119.1 0.3 . 1 . . . . 58 TRP CZ3 . 15776 1 508 . 1 1 58 58 TRP N N 15 116.3 0.3 . 1 . . . . 58 TRP N . 15776 1 509 . 1 1 58 58 TRP NE1 N 15 130.5 0.3 . 1 . . . . 58 TRP NE1 . 15776 1 510 . 1 1 59 59 LYS H H 1 7.31 0.02 . 1 . . . . 59 LYS H . 15776 1 511 . 1 1 59 59 LYS HA H 1 3.96 0.02 . 1 . . . . 59 LYS HA . 15776 1 512 . 1 1 59 59 LYS HB2 H 1 1.82 0.02 . 2 . . . . 59 LYS HB2 . 15776 1 513 . 1 1 59 59 LYS HB3 H 1 1.86 0.02 . 2 . . . . 59 LYS HB3 . 15776 1 514 . 1 1 59 59 LYS HD3 H 1 1.72 0.02 . 1 . . . . 59 LYS HD3 . 15776 1 515 . 1 1 59 59 LYS HE3 H 1 3.04 0.02 . 1 . . . . 59 LYS HE3 . 15776 1 516 . 1 1 59 59 LYS HG3 H 1 1.46 0.02 . 1 . . . . 59 LYS HG3 . 15776 1 517 . 1 1 59 59 LYS CA C 13 60.6 0.3 . 1 . . . . 59 LYS CA . 15776 1 518 . 1 1 59 59 LYS CB C 13 33.5 0.3 . 1 . . . . 59 LYS CB . 15776 1 519 . 1 1 59 59 LYS CD C 13 29.7 0.3 . 1 . . . . 59 LYS CD . 15776 1 520 . 1 1 59 59 LYS CE C 13 42.6 0.3 . 1 . . . . 59 LYS CE . 15776 1 521 . 1 1 59 59 LYS CG C 13 25.5 0.3 . 1 . . . . 59 LYS CG . 15776 1 522 . 1 1 59 59 LYS N N 15 118.6 0.3 . 1 . . . . 59 LYS N . 15776 1 523 . 1 1 60 60 ARG HA H 1 4.54 0.02 . 1 . . . . 60 ARG HA . 15776 1 524 . 1 1 60 60 ARG HB2 H 1 1.85 0.02 . 1 . . . . 60 ARG HB2 . 15776 1 525 . 1 1 60 60 ARG HD3 H 1 3.18 0.02 . 1 . . . . 60 ARG HD3 . 15776 1 526 . 1 1 60 60 ARG HG2 H 1 1.56 0.02 . 2 . . . . 60 ARG HG2 . 15776 1 527 . 1 1 60 60 ARG HG3 H 1 1.44 0.02 . 2 . . . . 60 ARG HG3 . 15776 1 528 . 1 1 60 60 ARG C C 13 177.2 0.3 . 1 . . . . 60 ARG C . 15776 1 529 . 1 1 60 60 ARG CA C 13 55.4 0.3 . 1 . . . . 60 ARG CA . 15776 1 530 . 1 1 60 60 ARG CB C 13 30.4 0.3 . 1 . . . . 60 ARG CB . 15776 1 531 . 1 1 60 60 ARG CD C 13 43.9 0.3 . 1 . . . . 60 ARG CD . 15776 1 532 . 1 1 60 60 ARG CG C 13 27.6 0.3 . 1 . . . . 60 ARG CG . 15776 1 533 . 1 1 61 61 ARG H H 1 7.62 0.02 . 1 . . . . 61 ARG H . 15776 1 534 . 1 1 61 61 ARG HA H 1 4.25 0.02 . 1 . . . . 61 ARG HA . 15776 1 535 . 1 1 61 61 ARG HB2 H 1 1.93 0.02 . 2 . . . . 61 ARG HB2 . 15776 1 536 . 1 1 61 61 ARG HB3 H 1 2.05 0.02 . 2 . . . . 61 ARG HB3 . 15776 1 537 . 1 1 61 61 ARG C C 13 172.3 0.3 . 1 . . . . 61 ARG C . 15776 1 538 . 1 1 61 61 ARG CA C 13 54.4 0.3 . 1 . . . . 61 ARG CA . 15776 1 539 . 1 1 61 61 ARG CB C 13 27.9 0.3 . 1 . . . . 61 ARG CB . 15776 1 540 . 1 1 61 61 ARG CD C 13 41.6 0.3 . 1 . . . . 61 ARG CD . 15776 1 541 . 1 1 61 61 ARG N N 15 116.0 0.3 . 1 . . . . 61 ARG N . 15776 1 542 . 1 1 62 62 TYR H H 1 6.98 0.02 . 1 . . . . 62 TYR H . 15776 1 543 . 1 1 62 62 TYR HA H 1 5.86 0.02 . 1 . . . . 62 TYR HA . 15776 1 544 . 1 1 62 62 TYR HB2 H 1 2.99 0.02 . 2 . . . . 62 TYR HB2 . 15776 1 545 . 1 1 62 62 TYR HB3 H 1 3.08 0.02 . 2 . . . . 62 TYR HB3 . 15776 1 546 . 1 1 62 62 TYR HD1 H 1 7.07 0.02 . 1 . . . . 62 TYR HD1 . 15776 1 547 . 1 1 62 62 TYR HD2 H 1 7.07 0.02 . 1 . . . . 62 TYR HD2 . 15776 1 548 . 1 1 62 62 TYR HE1 H 1 6.80 0.02 . 1 . . . . 62 TYR HE1 . 15776 1 549 . 1 1 62 62 TYR HE2 H 1 6.80 0.02 . 1 . . . . 62 TYR HE2 . 15776 1 550 . 1 1 62 62 TYR C C 13 173.1 0.3 . 1 . . . . 62 TYR C . 15776 1 551 . 1 1 62 62 TYR CA C 13 55.0 0.3 . 1 . . . . 62 TYR CA . 15776 1 552 . 1 1 62 62 TYR CB C 13 43.0 0.3 . 1 . . . . 62 TYR CB . 15776 1 553 . 1 1 62 62 TYR CD1 C 13 134.5 0.3 . 1 . . . . 62 TYR CD1 . 15776 1 554 . 1 1 62 62 TYR CD2 C 13 134.5 0.3 . 1 . . . . 62 TYR CD2 . 15776 1 555 . 1 1 62 62 TYR CE1 C 13 119.1 0.3 . 1 . . . . 62 TYR CE1 . 15776 1 556 . 1 1 62 62 TYR CE2 C 13 119.1 0.3 . 1 . . . . 62 TYR CE2 . 15776 1 557 . 1 1 62 62 TYR N N 15 112.3 0.3 . 1 . . . . 62 TYR N . 15776 1 558 . 1 1 63 63 CYS H H 1 9.22 0.02 . 1 . . . . 63 CYS H . 15776 1 559 . 1 1 63 63 CYS HA H 1 4.28 0.02 . 1 . . . . 63 CYS HA . 15776 1 560 . 1 1 63 63 CYS HB2 H 1 3.03 0.02 . 2 . . . . 63 CYS HB2 . 15776 1 561 . 1 1 63 63 CYS HB3 H 1 3.45 0.02 . 2 . . . . 63 CYS HB3 . 15776 1 562 . 1 1 63 63 CYS C C 13 178.0 0.3 . 1 . . . . 63 CYS C . 15776 1 563 . 1 1 63 63 CYS CA C 13 59.9 0.3 . 1 . . . . 63 CYS CA . 15776 1 564 . 1 1 63 63 CYS CB C 13 32.3 0.3 . 1 . . . . 63 CYS CB . 15776 1 565 . 1 1 63 63 CYS N N 15 124.1 0.3 . 1 . . . . 63 CYS N . 15776 1 566 . 1 1 64 64 LYS H H 1 7.82 0.02 . 1 . . . . 64 LYS H . 15776 1 567 . 1 1 64 64 LYS HA H 1 4.24 0.02 . 1 . . . . 64 LYS HA . 15776 1 568 . 1 1 64 64 LYS HB3 H 1 1.81 0.02 . 1 . . . . 64 LYS HB3 . 15776 1 569 . 1 1 64 64 LYS HE3 H 1 3.18 0.02 . 1 . . . . 64 LYS HE3 . 15776 1 570 . 1 1 64 64 LYS HG2 H 1 1.46 0.02 . 1 . . . . 64 LYS HG2 . 15776 1 571 . 1 1 64 64 LYS C C 13 175.4 0.3 . 1 . . . . 64 LYS C . 15776 1 572 . 1 1 64 64 LYS CA C 13 59.5 0.3 . 1 . . . . 64 LYS CA . 15776 1 573 . 1 1 64 64 LYS CB C 13 33.6 0.3 . 1 . . . . 64 LYS CB . 15776 1 574 . 1 1 64 64 LYS CD C 13 29.6 0.3 . 1 . . . . 64 LYS CD . 15776 1 575 . 1 1 64 64 LYS CE C 13 43.9 0.3 . 1 . . . . 64 LYS CE . 15776 1 576 . 1 1 64 64 LYS CG C 13 27.1 0.3 . 1 . . . . 64 LYS CG . 15776 1 577 . 1 1 64 64 LYS N N 15 129.3 0.3 . 1 . . . . 64 LYS N . 15776 1 578 . 1 1 65 65 LYS H H 1 9.27 0.02 . 1 . . . . 65 LYS H . 15776 1 579 . 1 1 65 65 LYS HA H 1 4.25 0.02 . 1 . . . . 65 LYS HA . 15776 1 580 . 1 1 65 65 LYS HB2 H 1 0.62 0.02 . 2 . . . . 65 LYS HB2 . 15776 1 581 . 1 1 65 65 LYS HB3 H 1 1.82 0.02 . 2 . . . . 65 LYS HB3 . 15776 1 582 . 1 1 65 65 LYS HD2 H 1 1.50 0.02 . 2 . . . . 65 LYS HD2 . 15776 1 583 . 1 1 65 65 LYS HD3 H 1 1.66 0.02 . 2 . . . . 65 LYS HD3 . 15776 1 584 . 1 1 65 65 LYS HE3 H 1 2.93 0.02 . 1 . . . . 65 LYS HE3 . 15776 1 585 . 1 1 65 65 LYS HG3 H 1 0.94 0.02 . 1 . . . . 65 LYS HG3 . 15776 1 586 . 1 1 65 65 LYS C C 13 176.3 0.3 . 1 . . . . 65 LYS C . 15776 1 587 . 1 1 65 65 LYS CA C 13 58.5 0.3 . 1 . . . . 65 LYS CA . 15776 1 588 . 1 1 65 65 LYS CB C 13 33.7 0.3 . 1 . . . . 65 LYS CB . 15776 1 589 . 1 1 65 65 LYS CD C 13 29.2 0.3 . 1 . . . . 65 LYS CD . 15776 1 590 . 1 1 65 65 LYS CE C 13 42.8 0.3 . 1 . . . . 65 LYS CE . 15776 1 591 . 1 1 65 65 LYS CG C 13 25.2 0.3 . 1 . . . . 65 LYS CG . 15776 1 592 . 1 1 65 65 LYS N N 15 122.5 0.3 . 1 . . . . 65 LYS N . 15776 1 593 . 1 1 66 66 CYS H H 1 9.19 0.02 . 1 . . . . 66 CYS H . 15776 1 594 . 1 1 66 66 CYS HA H 1 4.56 0.02 . 1 . . . . 66 CYS HA . 15776 1 595 . 1 1 66 66 CYS HB2 H 1 2.74 0.02 . 2 . . . . 66 CYS HB2 . 15776 1 596 . 1 1 66 66 CYS HB3 H 1 3.16 0.02 . 2 . . . . 66 CYS HB3 . 15776 1 597 . 1 1 66 66 CYS C C 13 176.2 0.3 . 1 . . . . 66 CYS C . 15776 1 598 . 1 1 66 66 CYS CA C 13 59.7 0.3 . 1 . . . . 66 CYS CA . 15776 1 599 . 1 1 66 66 CYS CB C 13 32.2 0.3 . 1 . . . . 66 CYS CB . 15776 1 600 . 1 1 66 66 CYS N N 15 121.2 0.3 . 1 . . . . 66 CYS N . 15776 1 601 . 1 1 67 67 HIS H H 1 7.70 0.02 . 1 . . . . 67 HIS H . 15776 1 602 . 1 1 67 67 HIS HA H 1 4.85 0.02 . 1 . . . . 67 HIS HA . 15776 1 603 . 1 1 67 67 HIS HB3 H 1 3.38 0.02 . 1 . . . . 67 HIS HB3 . 15776 1 604 . 1 1 67 67 HIS C C 13 171.0 0.3 . 1 . . . . 67 HIS C . 15776 1 605 . 1 1 67 67 HIS CA C 13 56.2 0.3 . 1 . . . . 67 HIS CA . 15776 1 606 . 1 1 67 67 HIS CB C 13 26.8 0.3 . 1 . . . . 67 HIS CB . 15776 1 607 . 1 1 67 67 HIS N N 15 114.2 0.3 . 1 . . . . 67 HIS N . 15776 1 608 . 1 1 68 68 ALA H H 1 8.72 0.02 . 1 . . . . 68 ALA H . 15776 1 609 . 1 1 68 68 ALA HA H 1 4.23 0.02 . 1 . . . . 68 ALA HA . 15776 1 610 . 1 1 68 68 ALA HB1 H 1 1.41 0.02 . 1 . . . . 68 ALA HB . 15776 1 611 . 1 1 68 68 ALA HB2 H 1 1.41 0.02 . 1 . . . . 68 ALA HB . 15776 1 612 . 1 1 68 68 ALA HB3 H 1 1.41 0.02 . 1 . . . . 68 ALA HB . 15776 1 613 . 1 1 68 68 ALA C C 13 177.8 0.3 . 1 . . . . 68 ALA C . 15776 1 614 . 1 1 68 68 ALA CA C 13 53.8 0.3 . 1 . . . . 68 ALA CA . 15776 1 615 . 1 1 68 68 ALA CB C 13 19.8 0.3 . 1 . . . . 68 ALA CB . 15776 1 616 . 1 1 68 68 ALA N N 15 119.6 0.3 . 1 . . . . 68 ALA N . 15776 1 617 . 1 1 69 69 PHE H H 1 8.50 0.02 . 1 . . . . 69 PHE H . 15776 1 618 . 1 1 69 69 PHE HA H 1 4.59 0.02 . 1 . . . . 69 PHE HA . 15776 1 619 . 1 1 69 69 PHE HB2 H 1 2.96 0.02 . 2 . . . . 69 PHE HB2 . 15776 1 620 . 1 1 69 69 PHE HB3 H 1 3.20 0.02 . 2 . . . . 69 PHE HB3 . 15776 1 621 . 1 1 69 69 PHE HD1 H 1 6.96 0.02 . 1 . . . . 69 PHE HD1 . 15776 1 622 . 1 1 69 69 PHE HD2 H 1 6.96 0.02 . 1 . . . . 69 PHE HD2 . 15776 1 623 . 1 1 69 69 PHE HE1 H 1 7.33 0.02 . 1 . . . . 69 PHE HE1 . 15776 1 624 . 1 1 69 69 PHE HE2 H 1 7.33 0.02 . 1 . . . . 69 PHE HE2 . 15776 1 625 . 1 1 69 69 PHE HZ H 1 7.45 0.02 . 1 . . . . 69 PHE HZ . 15776 1 626 . 1 1 69 69 PHE C C 13 174.2 0.3 . 1 . . . . 69 PHE C . 15776 1 627 . 1 1 69 69 PHE CA C 13 58.3 0.3 . 1 . . . . 69 PHE CA . 15776 1 628 . 1 1 69 69 PHE CB C 13 40.9 0.3 . 1 . . . . 69 PHE CB . 15776 1 629 . 1 1 69 69 PHE CD1 C 13 132.9 0.3 . 1 . . . . 69 PHE CD1 . 15776 1 630 . 1 1 69 69 PHE CD2 C 13 132.9 0.3 . 1 . . . . 69 PHE CD2 . 15776 1 631 . 1 1 69 69 PHE CE1 C 13 131.6 0.3 . 1 . . . . 69 PHE CE1 . 15776 1 632 . 1 1 69 69 PHE CE2 C 13 131.6 0.3 . 1 . . . . 69 PHE CE2 . 15776 1 633 . 1 1 69 69 PHE CZ C 13 130.0 0.3 . 1 . . . . 69 PHE CZ . 15776 1 634 . 1 1 69 69 PHE N N 15 122.2 0.3 . 1 . . . . 69 PHE N . 15776 1 635 . 1 1 70 70 LEU H H 1 7.55 0.02 . 1 . . . . 70 LEU H . 15776 1 636 . 1 1 70 70 LEU HA H 1 4.54 0.02 . 1 . . . . 70 LEU HA . 15776 1 637 . 1 1 70 70 LEU HB3 H 1 0.67 0.02 . 1 . . . . 70 LEU HB3 . 15776 1 638 . 1 1 70 70 LEU HD11 H 1 0.90 0.02 . 1 . . . . 70 LEU HD1 . 15776 1 639 . 1 1 70 70 LEU HD12 H 1 0.90 0.02 . 1 . . . . 70 LEU HD1 . 15776 1 640 . 1 1 70 70 LEU HD13 H 1 0.90 0.02 . 1 . . . . 70 LEU HD1 . 15776 1 641 . 1 1 70 70 LEU HD21 H 1 0.50 0.02 . 1 . . . . 70 LEU HD2 . 15776 1 642 . 1 1 70 70 LEU HD22 H 1 0.50 0.02 . 1 . . . . 70 LEU HD2 . 15776 1 643 . 1 1 70 70 LEU HD23 H 1 0.50 0.02 . 1 . . . . 70 LEU HD2 . 15776 1 644 . 1 1 70 70 LEU HG H 1 1.45 0.02 . 1 . . . . 70 LEU HG . 15776 1 645 . 1 1 70 70 LEU C C 13 176.0 0.3 . 1 . . . . 70 LEU C . 15776 1 646 . 1 1 70 70 LEU CA C 13 53.7 0.3 . 1 . . . . 70 LEU CA . 15776 1 647 . 1 1 70 70 LEU CB C 13 43.6 0.3 . 1 . . . . 70 LEU CB . 15776 1 648 . 1 1 70 70 LEU CD1 C 13 23.2 0.3 . 1 . . . . 70 LEU CD1 . 15776 1 649 . 1 1 70 70 LEU CD2 C 13 26.6 0.3 . 1 . . . . 70 LEU CD2 . 15776 1 650 . 1 1 70 70 LEU CG C 13 27.1 0.3 . 1 . . . . 70 LEU CG . 15776 1 651 . 1 1 70 70 LEU N N 15 124.7 0.3 . 1 . . . . 70 LEU N . 15776 1 652 . 1 1 71 71 VAL H H 1 9.70 0.02 . 1 . . . . 71 VAL H . 15776 1 653 . 1 1 71 71 VAL HA H 1 4.14 0.02 . 1 . . . . 71 VAL HA . 15776 1 654 . 1 1 71 71 VAL HB H 1 1.73 0.02 . 1 . . . . 71 VAL HB . 15776 1 655 . 1 1 71 71 VAL HG11 H 1 0.91 0.02 . 1 . . . . 71 VAL HG1 . 15776 1 656 . 1 1 71 71 VAL HG12 H 1 0.91 0.02 . 1 . . . . 71 VAL HG1 . 15776 1 657 . 1 1 71 71 VAL HG13 H 1 0.91 0.02 . 1 . . . . 71 VAL HG1 . 15776 1 658 . 1 1 71 71 VAL HG21 H 1 0.29 0.02 . 1 . . . . 71 VAL HG2 . 15776 1 659 . 1 1 71 71 VAL HG22 H 1 0.29 0.02 . 1 . . . . 71 VAL HG2 . 15776 1 660 . 1 1 71 71 VAL HG23 H 1 0.29 0.02 . 1 . . . . 71 VAL HG2 . 15776 1 661 . 1 1 71 71 VAL CA C 13 59.6 0.3 . 1 . . . . 71 VAL CA . 15776 1 662 . 1 1 71 71 VAL CB C 13 34.0 0.3 . 1 . . . . 71 VAL CB . 15776 1 663 . 1 1 71 71 VAL CG1 C 13 21.6 0.3 . 1 . . . . 71 VAL CG1 . 15776 1 664 . 1 1 71 71 VAL CG2 C 13 21.1 0.3 . 1 . . . . 71 VAL CG2 . 15776 1 665 . 1 1 71 71 VAL N N 15 125.8 0.3 . 1 . . . . 71 VAL N . 15776 1 666 . 1 1 72 72 PRO HA H 1 4.17 0.02 . 1 . . . . 72 PRO HA . 15776 1 667 . 1 1 72 72 PRO HB2 H 1 2.00 0.02 . 2 . . . . 72 PRO HB2 . 15776 1 668 . 1 1 72 72 PRO HB3 H 1 2.21 0.02 . 2 . . . . 72 PRO HB3 . 15776 1 669 . 1 1 72 72 PRO HD2 H 1 3.70 0.02 . 2 . . . . 72 PRO HD2 . 15776 1 670 . 1 1 72 72 PRO HD3 H 1 3.83 0.02 . 2 . . . . 72 PRO HD3 . 15776 1 671 . 1 1 72 72 PRO HG2 H 1 1.92 0.02 . 2 . . . . 72 PRO HG2 . 15776 1 672 . 1 1 72 72 PRO HG3 H 1 2.08 0.02 . 2 . . . . 72 PRO HG3 . 15776 1 673 . 1 1 72 72 PRO C C 13 176.2 0.3 . 1 . . . . 72 PRO C . 15776 1 674 . 1 1 72 72 PRO CA C 13 64.1 0.3 . 1 . . . . 72 PRO CA . 15776 1 675 . 1 1 72 72 PRO CB C 13 32.2 0.3 . 1 . . . . 72 PRO CB . 15776 1 676 . 1 1 72 72 PRO CD C 13 51.2 0.3 . 1 . . . . 72 PRO CD . 15776 1 677 . 1 1 72 72 PRO CG C 13 27.8 0.3 . 1 . . . . 72 PRO CG . 15776 1 678 . 1 1 73 73 GLY H H 1 8.50 0.02 . 1 . . . . 73 GLY H . 15776 1 679 . 1 1 73 73 GLY HA2 H 1 3.86 0.02 . 2 . . . . 73 GLY HA2 . 15776 1 680 . 1 1 73 73 GLY HA3 H 1 4.55 0.02 . 2 . . . . 73 GLY HA3 . 15776 1 681 . 1 1 73 73 GLY CA C 13 45.7 0.3 . 1 . . . . 73 GLY CA . 15776 1 682 . 1 1 73 73 GLY N N 15 112.2 0.3 . 1 . . . . 73 GLY N . 15776 1 683 . 1 1 74 74 ILE H H 1 8.36 0.02 . 1 . . . . 74 ILE H . 15776 1 684 . 1 1 74 74 ILE HA H 1 4.58 0.02 . 1 . . . . 74 ILE HA . 15776 1 685 . 1 1 74 74 ILE HB H 1 2.00 0.02 . 1 . . . . 74 ILE HB . 15776 1 686 . 1 1 74 74 ILE HD11 H 1 1.03 0.02 . 1 . . . . 74 ILE HD1 . 15776 1 687 . 1 1 74 74 ILE HD12 H 1 1.03 0.02 . 1 . . . . 74 ILE HD1 . 15776 1 688 . 1 1 74 74 ILE HD13 H 1 1.03 0.02 . 1 . . . . 74 ILE HD1 . 15776 1 689 . 1 1 74 74 ILE HG12 H 1 1.30 0.02 . 2 . . . . 74 ILE HG12 . 15776 1 690 . 1 1 74 74 ILE HG13 H 1 1.62 0.02 . 2 . . . . 74 ILE HG13 . 15776 1 691 . 1 1 74 74 ILE HG21 H 1 0.88 0.02 . 1 . . . . 74 ILE HG2 . 15776 1 692 . 1 1 74 74 ILE HG22 H 1 0.88 0.02 . 1 . . . . 74 ILE HG2 . 15776 1 693 . 1 1 74 74 ILE HG23 H 1 0.88 0.02 . 1 . . . . 74 ILE HG2 . 15776 1 694 . 1 1 74 74 ILE C C 13 175.7 0.3 . 1 . . . . 74 ILE C . 15776 1 695 . 1 1 74 74 ILE CA C 13 62.7 0.3 . 1 . . . . 74 ILE CA . 15776 1 696 . 1 1 74 74 ILE CB C 13 38.4 0.3 . 1 . . . . 74 ILE CB . 15776 1 697 . 1 1 74 74 ILE CD1 C 13 12.0 0.3 . 1 . . . . 74 ILE CD1 . 15776 1 698 . 1 1 74 74 ILE CG1 C 13 28.3 0.3 . 1 . . . . 74 ILE CG1 . 15776 1 699 . 1 1 74 74 ILE CG2 C 13 18.1 0.3 . 1 . . . . 74 ILE CG2 . 15776 1 700 . 1 1 74 74 ILE N N 15 120.2 0.3 . 1 . . . . 74 ILE N . 15776 1 701 . 1 1 75 75 ASN H H 1 8.47 0.02 . 1 . . . . 75 ASN H . 15776 1 702 . 1 1 75 75 ASN HA H 1 4.97 0.02 . 1 . . . . 75 ASN HA . 15776 1 703 . 1 1 75 75 ASN HB2 H 1 2.89 0.02 . 2 . . . . 75 ASN HB2 . 15776 1 704 . 1 1 75 75 ASN HB3 H 1 3.47 0.02 . 2 . . . . 75 ASN HB3 . 15776 1 705 . 1 1 75 75 ASN HD21 H 1 8.72 0.02 . 1 . . . . 75 ASN HD21 . 15776 1 706 . 1 1 75 75 ASN C C 13 172.9 0.3 . 1 . . . . 75 ASN C . 15776 1 707 . 1 1 75 75 ASN CA C 13 52.6 0.3 . 1 . . . . 75 ASN CA . 15776 1 708 . 1 1 75 75 ASN CB C 13 38.6 0.3 . 1 . . . . 75 ASN CB . 15776 1 709 . 1 1 75 75 ASN N N 15 116.4 0.3 . 1 . . . . 75 ASN N . 15776 1 710 . 1 1 75 75 ASN ND2 N 15 112.4 0.3 . 1 . . . . 75 ASN ND2 . 15776 1 711 . 1 1 76 76 ALA H H 1 7.25 0.02 . 1 . . . . 76 ALA H . 15776 1 712 . 1 1 76 76 ALA HA H 1 5.51 0.02 . 1 . . . . 76 ALA HA . 15776 1 713 . 1 1 76 76 ALA HB1 H 1 1.07 0.02 . 1 . . . . 76 ALA HB . 15776 1 714 . 1 1 76 76 ALA HB2 H 1 1.07 0.02 . 1 . . . . 76 ALA HB . 15776 1 715 . 1 1 76 76 ALA HB3 H 1 1.07 0.02 . 1 . . . . 76 ALA HB . 15776 1 716 . 1 1 76 76 ALA C C 13 176.2 0.3 . 1 . . . . 76 ALA C . 15776 1 717 . 1 1 76 76 ALA CA C 13 50.4 0.3 . 1 . . . . 76 ALA CA . 15776 1 718 . 1 1 76 76 ALA CB C 13 23.2 0.3 . 1 . . . . 76 ALA CB . 15776 1 719 . 1 1 76 76 ALA N N 15 117.4 0.3 . 1 . . . . 76 ALA N . 15776 1 720 . 1 1 77 77 ARG H H 1 8.85 0.02 . 1 . . . . 77 ARG H . 15776 1 721 . 1 1 77 77 ARG HA H 1 4.95 0.02 . 1 . . . . 77 ARG HA . 15776 1 722 . 1 1 77 77 ARG HB2 H 1 1.73 0.02 . 2 . . . . 77 ARG HB2 . 15776 1 723 . 1 1 77 77 ARG HB3 H 1 1.84 0.02 . 2 . . . . 77 ARG HB3 . 15776 1 724 . 1 1 77 77 ARG HD2 H 1 3.24 0.02 . 2 . . . . 77 ARG HD2 . 15776 1 725 . 1 1 77 77 ARG HD3 H 1 3.31 0.02 . 2 . . . . 77 ARG HD3 . 15776 1 726 . 1 1 77 77 ARG HG2 H 1 1.58 0.02 . 2 . . . . 77 ARG HG2 . 15776 1 727 . 1 1 77 77 ARG HG3 H 1 1.74 0.02 . 2 . . . . 77 ARG HG3 . 15776 1 728 . 1 1 77 77 ARG CA C 13 54.8 0.3 . 1 . . . . 77 ARG CA . 15776 1 729 . 1 1 77 77 ARG CB C 13 33.7 0.3 . 1 . . . . 77 ARG CB . 15776 1 730 . 1 1 77 77 ARG CD C 13 43.8 0.3 . 1 . . . . 77 ARG CD . 15776 1 731 . 1 1 77 77 ARG CG C 13 27.6 0.3 . 1 . . . . 77 ARG CG . 15776 1 732 . 1 1 77 77 ARG N N 15 123.0 0.3 . 1 . . . . 77 ARG N . 15776 1 733 . 1 1 78 78 VAL H H 1 8.92 0.02 . 1 . . . . 78 VAL H . 15776 1 734 . 1 1 78 78 VAL HA H 1 4.73 0.02 . 1 . . . . 78 VAL HA . 15776 1 735 . 1 1 78 78 VAL HB H 1 2.22 0.02 . 1 . . . . 78 VAL HB . 15776 1 736 . 1 1 78 78 VAL HG11 H 1 0.84 0.02 . 1 . . . . 78 VAL HG1 . 15776 1 737 . 1 1 78 78 VAL HG12 H 1 0.84 0.02 . 1 . . . . 78 VAL HG1 . 15776 1 738 . 1 1 78 78 VAL HG13 H 1 0.84 0.02 . 1 . . . . 78 VAL HG1 . 15776 1 739 . 1 1 78 78 VAL HG21 H 1 1.08 0.02 . 1 . . . . 78 VAL HG2 . 15776 1 740 . 1 1 78 78 VAL HG22 H 1 1.08 0.02 . 1 . . . . 78 VAL HG2 . 15776 1 741 . 1 1 78 78 VAL HG23 H 1 1.08 0.02 . 1 . . . . 78 VAL HG2 . 15776 1 742 . 1 1 78 78 VAL CA C 13 61.4 0.3 . 1 . . . . 78 VAL CA . 15776 1 743 . 1 1 78 78 VAL CB C 13 34.4 0.3 . 1 . . . . 78 VAL CB . 15776 1 744 . 1 1 78 78 VAL CG1 C 13 21.4 0.3 . 1 . . . . 78 VAL CG1 . 15776 1 745 . 1 1 78 78 VAL CG2 C 13 21.8 0.3 . 1 . . . . 78 VAL CG2 . 15776 1 746 . 1 1 78 78 VAL N N 15 127.4 0.3 . 1 . . . . 78 VAL N . 15776 1 747 . 1 1 79 79 ARG H H 1 9.00 0.02 . 1 . . . . 79 ARG H . 15776 1 748 . 1 1 79 79 ARG HA H 1 4.75 0.02 . 1 . . . . 79 ARG HA . 15776 1 749 . 1 1 79 79 ARG HB3 H 1 1.99 0.02 . 1 . . . . 79 ARG HB3 . 15776 1 750 . 1 1 79 79 ARG HD2 H 1 3.23 0.02 . 2 . . . . 79 ARG HD2 . 15776 1 751 . 1 1 79 79 ARG HD3 H 1 3.29 0.02 . 2 . . . . 79 ARG HD3 . 15776 1 752 . 1 1 79 79 ARG HG2 H 1 1.56 0.02 . 2 . . . . 79 ARG HG2 . 15776 1 753 . 1 1 79 79 ARG HG3 H 1 1.73 0.02 . 2 . . . . 79 ARG HG3 . 15776 1 754 . 1 1 79 79 ARG CA C 13 54.4 0.3 . 1 . . . . 79 ARG CA . 15776 1 755 . 1 1 79 79 ARG CB C 13 34.3 0.3 . 1 . . . . 79 ARG CB . 15776 1 756 . 1 1 79 79 ARG CD C 13 43.8 0.3 . 1 . . . . 79 ARG CD . 15776 1 757 . 1 1 79 79 ARG CG C 13 27.7 0.3 . 1 . . . . 79 ARG CG . 15776 1 758 . 1 1 79 79 ARG N N 15 126.4 0.3 . 1 . . . . 79 ARG N . 15776 1 759 . 1 1 80 80 LEU H H 1 8.48 0.02 . 1 . . . . 80 LEU H . 15776 1 760 . 1 1 80 80 LEU HA H 1 4.69 0.02 . 1 . . . . 80 LEU HA . 15776 1 761 . 1 1 80 80 LEU HB2 H 1 1.36 0.02 . 2 . . . . 80 LEU HB2 . 15776 1 762 . 1 1 80 80 LEU HB3 H 1 1.58 0.02 . 2 . . . . 80 LEU HB3 . 15776 1 763 . 1 1 80 80 LEU HD11 H 1 0.60 0.02 . 1 . . . . 80 LEU HD1 . 15776 1 764 . 1 1 80 80 LEU HD12 H 1 0.60 0.02 . 1 . . . . 80 LEU HD1 . 15776 1 765 . 1 1 80 80 LEU HD13 H 1 0.60 0.02 . 1 . . . . 80 LEU HD1 . 15776 1 766 . 1 1 80 80 LEU HD21 H 1 0.50 0.02 . 1 . . . . 80 LEU HD2 . 15776 1 767 . 1 1 80 80 LEU HD22 H 1 0.50 0.02 . 1 . . . . 80 LEU HD2 . 15776 1 768 . 1 1 80 80 LEU HD23 H 1 0.50 0.02 . 1 . . . . 80 LEU HD2 . 15776 1 769 . 1 1 80 80 LEU HG H 1 1.26 0.02 . 1 . . . . 80 LEU HG . 15776 1 770 . 1 1 80 80 LEU CA C 13 54.6 0.3 . 1 . . . . 80 LEU CA . 15776 1 771 . 1 1 80 80 LEU CB C 13 43.5 0.3 . 1 . . . . 80 LEU CB . 15776 1 772 . 1 1 80 80 LEU CD1 C 13 25.3 0.3 . 1 . . . . 80 LEU CD1 . 15776 1 773 . 1 1 80 80 LEU CD2 C 13 24.0 0.3 . 1 . . . . 80 LEU CD2 . 15776 1 774 . 1 1 80 80 LEU CG C 13 28.2 0.3 . 1 . . . . 80 LEU CG . 15776 1 775 . 1 1 80 80 LEU N N 15 124.7 0.3 . 1 . . . . 80 LEU N . 15776 1 776 . 1 1 81 81 ARG H H 1 8.80 0.02 . 1 . . . . 81 ARG H . 15776 1 777 . 1 1 81 81 ARG HA H 1 4.54 0.02 . 1 . . . . 81 ARG HA . 15776 1 778 . 1 1 81 81 ARG HB2 H 1 1.28 0.02 . 1 . . . . 81 ARG HB2 . 15776 1 779 . 1 1 81 81 ARG HD2 H 1 3.17 0.02 . 1 . . . . 81 ARG HD2 . 15776 1 780 . 1 1 81 81 ARG HG2 H 1 1.63 0.02 . 1 . . . . 81 ARG HG2 . 15776 1 781 . 1 1 81 81 ARG CA C 13 54.6 0.3 . 1 . . . . 81 ARG CA . 15776 1 782 . 1 1 81 81 ARG CB C 13 31.6 0.3 . 1 . . . . 81 ARG CB . 15776 1 783 . 1 1 81 81 ARG CD C 13 43.6 0.3 . 1 . . . . 81 ARG CD . 15776 1 784 . 1 1 81 81 ARG CG C 13 27.5 0.3 . 1 . . . . 81 ARG CG . 15776 1 785 . 1 1 81 81 ARG N N 15 126.1 0.3 . 1 . . . . 81 ARG N . 15776 1 786 . 1 1 86 86 PRO HA H 1 4.70 0.02 . 1 . . . . 86 PRO HA . 15776 1 787 . 1 1 86 86 PRO HB2 H 1 2.18 0.02 . 2 . . . . 86 PRO HB2 . 15776 1 788 . 1 1 86 86 PRO HB3 H 1 2.40 0.02 . 2 . . . . 86 PRO HB3 . 15776 1 789 . 1 1 86 86 PRO HD2 H 1 3.55 0.02 . 2 . . . . 86 PRO HD2 . 15776 1 790 . 1 1 86 86 PRO HD3 H 1 3.64 0.02 . 2 . . . . 86 PRO HD3 . 15776 1 791 . 1 1 86 86 PRO HG3 H 1 1.93 0.02 . 1 . . . . 86 PRO HG3 . 15776 1 792 . 1 1 86 86 PRO C C 13 176.4 0.3 . 1 . . . . 86 PRO C . 15776 1 793 . 1 1 86 86 PRO CA C 13 64.0 0.3 . 1 . . . . 86 PRO CA . 15776 1 794 . 1 1 86 86 PRO CB C 13 32.6 0.3 . 1 . . . . 86 PRO CB . 15776 1 795 . 1 1 86 86 PRO CD C 13 51.2 0.3 . 1 . . . . 86 PRO CD . 15776 1 796 . 1 1 87 87 HIS H H 1 8.56 0.02 . 1 . . . . 87 HIS H . 15776 1 797 . 1 1 87 87 HIS HA H 1 5.14 0.02 . 1 . . . . 87 HIS HA . 15776 1 798 . 1 1 87 87 HIS HB2 H 1 3.00 0.02 . 2 . . . . 87 HIS HB2 . 15776 1 799 . 1 1 87 87 HIS HB3 H 1 3.16 0.02 . 2 . . . . 87 HIS HB3 . 15776 1 800 . 1 1 87 87 HIS C C 13 172.6 0.3 . 1 . . . . 87 HIS C . 15776 1 801 . 1 1 87 87 HIS CA C 13 56.0 0.3 . 1 . . . . 87 HIS CA . 15776 1 802 . 1 1 87 87 HIS CB C 13 32.4 0.3 . 1 . . . . 87 HIS CB . 15776 1 803 . 1 1 87 87 HIS N N 15 118.7 0.3 . 1 . . . . 87 HIS N . 15776 1 804 . 1 1 88 88 ILE H H 1 9.25 0.02 . 1 . . . . 88 ILE H . 15776 1 805 . 1 1 88 88 ILE HA H 1 4.71 0.02 . 1 . . . . 88 ILE HA . 15776 1 806 . 1 1 88 88 ILE HB H 1 1.77 0.02 . 1 . . . . 88 ILE HB . 15776 1 807 . 1 1 88 88 ILE HD11 H 1 0.81 0.02 . 1 . . . . 88 ILE HD1 . 15776 1 808 . 1 1 88 88 ILE HD12 H 1 0.81 0.02 . 1 . . . . 88 ILE HD1 . 15776 1 809 . 1 1 88 88 ILE HD13 H 1 0.81 0.02 . 1 . . . . 88 ILE HD1 . 15776 1 810 . 1 1 88 88 ILE HG12 H 1 1.10 0.02 . 2 . . . . 88 ILE HG12 . 15776 1 811 . 1 1 88 88 ILE HG13 H 1 1.58 0.02 . 2 . . . . 88 ILE HG13 . 15776 1 812 . 1 1 88 88 ILE HG21 H 1 0.86 0.02 . 1 . . . . 88 ILE HG2 . 15776 1 813 . 1 1 88 88 ILE HG22 H 1 0.86 0.02 . 1 . . . . 88 ILE HG2 . 15776 1 814 . 1 1 88 88 ILE HG23 H 1 0.86 0.02 . 1 . . . . 88 ILE HG2 . 15776 1 815 . 1 1 88 88 ILE CA C 13 60.2 0.3 . 1 . . . . 88 ILE CA . 15776 1 816 . 1 1 88 88 ILE CB C 13 40.6 0.3 . 1 . . . . 88 ILE CB . 15776 1 817 . 1 1 88 88 ILE CD1 C 13 13.3 0.3 . 1 . . . . 88 ILE CD1 . 15776 1 818 . 1 1 88 88 ILE CG1 C 13 28.4 0.3 . 1 . . . . 88 ILE CG1 . 15776 1 819 . 1 1 88 88 ILE CG2 C 13 18.3 0.3 . 1 . . . . 88 ILE CG2 . 15776 1 820 . 1 1 88 88 ILE N N 15 120.6 0.3 . 1 . . . . 88 ILE N . 15776 1 821 . 1 1 89 89 VAL H H 1 9.05 0.02 . 1 . . . . 89 VAL H . 15776 1 822 . 1 1 89 89 VAL HA H 1 4.80 0.02 . 1 . . . . 89 VAL HA . 15776 1 823 . 1 1 89 89 VAL HB H 1 1.99 0.02 . 1 . . . . 89 VAL HB . 15776 1 824 . 1 1 89 89 VAL HG11 H 1 1.00 0.02 . 1 . . . . 89 VAL HG1 . 15776 1 825 . 1 1 89 89 VAL HG12 H 1 1.00 0.02 . 1 . . . . 89 VAL HG1 . 15776 1 826 . 1 1 89 89 VAL HG13 H 1 1.00 0.02 . 1 . . . . 89 VAL HG1 . 15776 1 827 . 1 1 89 89 VAL HG21 H 1 0.92 0.02 . 1 . . . . 89 VAL HG2 . 15776 1 828 . 1 1 89 89 VAL HG22 H 1 0.92 0.02 . 1 . . . . 89 VAL HG2 . 15776 1 829 . 1 1 89 89 VAL HG23 H 1 0.92 0.02 . 1 . . . . 89 VAL HG2 . 15776 1 830 . 1 1 89 89 VAL C C 13 175.0 0.3 . 1 . . . . 89 VAL C . 15776 1 831 . 1 1 89 89 VAL CA C 13 61.4 0.3 . 1 . . . . 89 VAL CA . 15776 1 832 . 1 1 89 89 VAL CB C 13 34.4 0.3 . 1 . . . . 89 VAL CB . 15776 1 833 . 1 1 89 89 VAL CG1 C 13 22.5 0.3 . 1 . . . . 89 VAL CG1 . 15776 1 834 . 1 1 89 89 VAL CG2 C 13 22.1 0.3 . 1 . . . . 89 VAL CG2 . 15776 1 835 . 1 1 90 90 VAL H H 1 9.34 0.02 . 1 . . . . 90 VAL H . 15776 1 836 . 1 1 90 90 VAL HA H 1 5.16 0.02 . 1 . . . . 90 VAL HA . 15776 1 837 . 1 1 90 90 VAL HB H 1 1.99 0.02 . 1 . . . . 90 VAL HB . 15776 1 838 . 1 1 90 90 VAL HG11 H 1 0.87 0.02 . 1 . . . . 90 VAL HG1 . 15776 1 839 . 1 1 90 90 VAL HG12 H 1 0.87 0.02 . 1 . . . . 90 VAL HG1 . 15776 1 840 . 1 1 90 90 VAL HG13 H 1 0.87 0.02 . 1 . . . . 90 VAL HG1 . 15776 1 841 . 1 1 90 90 VAL HG21 H 1 0.91 0.02 . 1 . . . . 90 VAL HG2 . 15776 1 842 . 1 1 90 90 VAL HG22 H 1 0.91 0.02 . 1 . . . . 90 VAL HG2 . 15776 1 843 . 1 1 90 90 VAL HG23 H 1 0.91 0.02 . 1 . . . . 90 VAL HG2 . 15776 1 844 . 1 1 90 90 VAL C C 13 173.6 0.3 . 1 . . . . 90 VAL C . 15776 1 845 . 1 1 90 90 VAL CA C 13 61.4 0.3 . 1 . . . . 90 VAL CA . 15776 1 846 . 1 1 90 90 VAL CB C 13 34.1 0.3 . 1 . . . . 90 VAL CB . 15776 1 847 . 1 1 90 90 VAL CG1 C 13 21.5 0.3 . 1 . . . . 90 VAL CG1 . 15776 1 848 . 1 1 90 90 VAL CG2 C 13 21.4 0.3 . 1 . . . . 90 VAL CG2 . 15776 1 849 . 1 1 90 90 VAL N N 15 128.0 0.3 . 1 . . . . 90 VAL N . 15776 1 850 . 1 1 91 91 LYS H H 1 9.03 0.02 . 1 . . . . 91 LYS H . 15776 1 851 . 1 1 91 91 LYS HA H 1 5.16 0.02 . 1 . . . . 91 LYS HA . 15776 1 852 . 1 1 91 91 LYS HB2 H 1 1.53 0.02 . 2 . . . . 91 LYS HB2 . 15776 1 853 . 1 1 91 91 LYS HB3 H 1 1.79 0.02 . 2 . . . . 91 LYS HB3 . 15776 1 854 . 1 1 91 91 LYS HD3 H 1 1.56 0.02 . 1 . . . . 91 LYS HD3 . 15776 1 855 . 1 1 91 91 LYS HE3 H 1 2.93 0.02 . 1 . . . . 91 LYS HE3 . 15776 1 856 . 1 1 91 91 LYS HG2 H 1 1.01 0.02 . 2 . . . . 91 LYS HG2 . 15776 1 857 . 1 1 91 91 LYS HG3 H 1 1.16 0.02 . 2 . . . . 91 LYS HG3 . 15776 1 858 . 1 1 91 91 LYS C C 13 175.3 0.3 . 1 . . . . 91 LYS C . 15776 1 859 . 1 1 91 91 LYS CA C 13 54.1 0.3 . 1 . . . . 91 LYS CA . 15776 1 860 . 1 1 91 91 LYS CB C 13 36.6 0.3 . 1 . . . . 91 LYS CB . 15776 1 861 . 1 1 91 91 LYS CD C 13 30.6 0.3 . 1 . . . . 91 LYS CD . 15776 1 862 . 1 1 91 91 LYS CE C 13 42.8 0.3 . 1 . . . . 91 LYS CE . 15776 1 863 . 1 1 91 91 LYS CG C 13 25.9 0.3 . 1 . . . . 91 LYS CG . 15776 1 864 . 1 1 91 91 LYS N N 15 128.1 0.3 . 1 . . . . 91 LYS N . 15776 1 865 . 1 1 92 92 CYS H H 1 9.05 0.02 . 1 . . . . 92 CYS H . 15776 1 866 . 1 1 92 92 CYS HA H 1 4.95 0.02 . 1 . . . . 92 CYS HA . 15776 1 867 . 1 1 92 92 CYS HB2 H 1 2.83 0.02 . 2 . . . . 92 CYS HB2 . 15776 1 868 . 1 1 92 92 CYS HB3 H 1 2.87 0.02 . 2 . . . . 92 CYS HB3 . 15776 1 869 . 1 1 92 92 CYS C C 13 177.3 0.3 . 1 . . . . 92 CYS C . 15776 1 870 . 1 1 92 92 CYS CA C 13 59.6 0.3 . 1 . . . . 92 CYS CA . 15776 1 871 . 1 1 92 92 CYS CB C 13 32.6 0.3 . 1 . . . . 92 CYS CB . 15776 1 872 . 1 1 92 92 CYS N N 15 129.9 0.3 . 1 . . . . 92 CYS N . 15776 1 873 . 1 1 93 93 LEU H H 1 8.91 0.02 . 1 . . . . 93 LEU H . 15776 1 874 . 1 1 93 93 LEU HA H 1 4.48 0.02 . 1 . . . . 93 LEU HA . 15776 1 875 . 1 1 93 93 LEU HB2 H 1 1.54 0.02 . 2 . . . . 93 LEU HB2 . 15776 1 876 . 1 1 93 93 LEU HB3 H 1 1.71 0.02 . 2 . . . . 93 LEU HB3 . 15776 1 877 . 1 1 93 93 LEU HD11 H 1 0.80 0.02 . 1 . . . . 93 LEU HD1 . 15776 1 878 . 1 1 93 93 LEU HD12 H 1 0.80 0.02 . 1 . . . . 93 LEU HD1 . 15776 1 879 . 1 1 93 93 LEU HD13 H 1 0.80 0.02 . 1 . . . . 93 LEU HD1 . 15776 1 880 . 1 1 93 93 LEU HD21 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15776 1 881 . 1 1 93 93 LEU HD22 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15776 1 882 . 1 1 93 93 LEU HD23 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15776 1 883 . 1 1 93 93 LEU HG H 1 1.43 0.02 . 1 . . . . 93 LEU HG . 15776 1 884 . 1 1 93 93 LEU C C 13 178.1 0.3 . 1 . . . . 93 LEU C . 15776 1 885 . 1 1 93 93 LEU CA C 13 55.3 0.3 . 1 . . . . 93 LEU CA . 15776 1 886 . 1 1 93 93 LEU CB C 13 40.5 0.3 . 1 . . . . 93 LEU CB . 15776 1 887 . 1 1 93 93 LEU CD1 C 13 25.4 0.3 . 1 . . . . 93 LEU CD1 . 15776 1 888 . 1 1 93 93 LEU CD2 C 13 22.0 0.3 . 1 . . . . 93 LEU CD2 . 15776 1 889 . 1 1 93 93 LEU CG C 13 27.5 0.3 . 1 . . . . 93 LEU CG . 15776 1 890 . 1 1 93 93 LEU N N 15 127.3 0.3 . 1 . . . . 93 LEU N . 15776 1 891 . 1 1 94 94 GLU H H 1 9.46 0.02 . 1 . . . . 94 GLU H . 15776 1 892 . 1 1 94 94 GLU HA H 1 4.42 0.02 . 1 . . . . 94 GLU HA . 15776 1 893 . 1 1 94 94 GLU HB2 H 1 1.88 0.02 . 2 . . . . 94 GLU HB2 . 15776 1 894 . 1 1 94 94 GLU HB3 H 1 2.14 0.02 . 2 . . . . 94 GLU HB3 . 15776 1 895 . 1 1 94 94 GLU HG2 H 1 2.34 0.02 . 2 . . . . 94 GLU HG2 . 15776 1 896 . 1 1 94 94 GLU HG3 H 1 2.47 0.02 . 2 . . . . 94 GLU HG3 . 15776 1 897 . 1 1 94 94 GLU C C 13 178.4 0.3 . 1 . . . . 94 GLU C . 15776 1 898 . 1 1 94 94 GLU CA C 13 59.7 0.3 . 1 . . . . 94 GLU CA . 15776 1 899 . 1 1 94 94 GLU CB C 13 29.9 0.3 . 1 . . . . 94 GLU CB . 15776 1 900 . 1 1 94 94 GLU CG C 13 36.8 0.3 . 1 . . . . 94 GLU CG . 15776 1 901 . 1 1 94 94 GLU N N 15 122.9 0.3 . 1 . . . . 94 GLU N . 15776 1 902 . 1 1 95 95 CYS H H 1 9.11 0.02 . 1 . . . . 95 CYS H . 15776 1 903 . 1 1 95 95 CYS HA H 1 5.14 0.02 . 1 . . . . 95 CYS HA . 15776 1 904 . 1 1 95 95 CYS HB2 H 1 2.58 0.02 . 2 . . . . 95 CYS HB2 . 15776 1 905 . 1 1 95 95 CYS HB3 H 1 3.28 0.02 . 2 . . . . 95 CYS HB3 . 15776 1 906 . 1 1 95 95 CYS C C 13 176.9 0.3 . 1 . . . . 95 CYS C . 15776 1 907 . 1 1 95 95 CYS CA C 13 58.9 0.3 . 1 . . . . 95 CYS CA . 15776 1 908 . 1 1 95 95 CYS CB C 13 33.6 0.3 . 1 . . . . 95 CYS CB . 15776 1 909 . 1 1 95 95 CYS N N 15 119.2 0.3 . 1 . . . . 95 CYS N . 15776 1 910 . 1 1 96 96 GLY H H 1 8.00 0.02 . 1 . . . . 96 GLY H . 15776 1 911 . 1 1 96 96 GLY HA2 H 1 3.85 0.02 . 1 . . . . 96 GLY HA2 . 15776 1 912 . 1 1 96 96 GLY C C 13 174.1 0.3 . 1 . . . . 96 GLY C . 15776 1 913 . 1 1 96 96 GLY CA C 13 46.5 0.3 . 1 . . . . 96 GLY CA . 15776 1 914 . 1 1 96 96 GLY N N 15 115.3 0.3 . 1 . . . . 96 GLY N . 15776 1 915 . 1 1 97 97 HIS H H 1 9.31 0.02 . 1 . . . . 97 HIS H . 15776 1 916 . 1 1 97 97 HIS HA H 1 4.50 0.02 . 1 . . . . 97 HIS HA . 15776 1 917 . 1 1 97 97 HIS HB2 H 1 3.13 0.02 . 2 . . . . 97 HIS HB2 . 15776 1 918 . 1 1 97 97 HIS HB3 H 1 3.33 0.02 . 2 . . . . 97 HIS HB3 . 15776 1 919 . 1 1 97 97 HIS C C 13 173.2 0.3 . 1 . . . . 97 HIS C . 15776 1 920 . 1 1 97 97 HIS CA C 13 58.6 0.3 . 1 . . . . 97 HIS CA . 15776 1 921 . 1 1 97 97 HIS CB C 13 33.0 0.3 . 1 . . . . 97 HIS CB . 15776 1 922 . 1 1 97 97 HIS N N 15 125.3 0.3 . 1 . . . . 97 HIS N . 15776 1 923 . 1 1 98 98 ILE H H 1 6.89 0.02 . 1 . . . . 98 ILE H . 15776 1 924 . 1 1 98 98 ILE HA H 1 4.76 0.02 . 1 . . . . 98 ILE HA . 15776 1 925 . 1 1 98 98 ILE HB H 1 1.55 0.02 . 1 . . . . 98 ILE HB . 15776 1 926 . 1 1 98 98 ILE HD11 H 1 0.86 0.02 . 1 . . . . 98 ILE HD1 . 15776 1 927 . 1 1 98 98 ILE HD12 H 1 0.86 0.02 . 1 . . . . 98 ILE HD1 . 15776 1 928 . 1 1 98 98 ILE HD13 H 1 0.86 0.02 . 1 . . . . 98 ILE HD1 . 15776 1 929 . 1 1 98 98 ILE HG12 H 1 0.93 0.02 . 2 . . . . 98 ILE HG12 . 15776 1 930 . 1 1 98 98 ILE HG13 H 1 1.75 0.02 . 2 . . . . 98 ILE HG13 . 15776 1 931 . 1 1 98 98 ILE HG21 H 1 0.71 0.02 . 1 . . . . 98 ILE HG2 . 15776 1 932 . 1 1 98 98 ILE HG22 H 1 0.71 0.02 . 1 . . . . 98 ILE HG2 . 15776 1 933 . 1 1 98 98 ILE HG23 H 1 0.71 0.02 . 1 . . . . 98 ILE HG2 . 15776 1 934 . 1 1 98 98 ILE C C 13 175.0 0.3 . 1 . . . . 98 ILE C . 15776 1 935 . 1 1 98 98 ILE CA C 13 60.0 0.3 . 1 . . . . 98 ILE CA . 15776 1 936 . 1 1 98 98 ILE CB C 13 40.2 0.3 . 1 . . . . 98 ILE CB . 15776 1 937 . 1 1 98 98 ILE CD1 C 13 13.4 0.3 . 1 . . . . 98 ILE CD1 . 15776 1 938 . 1 1 98 98 ILE CG1 C 13 28.4 0.3 . 1 . . . . 98 ILE CG1 . 15776 1 939 . 1 1 98 98 ILE CG2 C 13 18.3 0.3 . 1 . . . . 98 ILE CG2 . 15776 1 940 . 1 1 98 98 ILE N N 15 123.6 0.3 . 1 . . . . 98 ILE N . 15776 1 941 . 1 1 99 99 MET H H 1 9.05 0.02 . 1 . . . . 99 MET H . 15776 1 942 . 1 1 99 99 MET HA H 1 4.63 0.02 . 1 . . . . 99 MET HA . 15776 1 943 . 1 1 99 99 MET HB2 H 1 2.62 0.02 . 2 . . . . 99 MET HB2 . 15776 1 944 . 1 1 99 99 MET HB3 H 1 2.74 0.02 . 2 . . . . 99 MET HB3 . 15776 1 945 . 1 1 99 99 MET HE1 H 1 2.21 0.02 . 1 . . . . 99 MET HE . 15776 1 946 . 1 1 99 99 MET HE2 H 1 2.21 0.02 . 1 . . . . 99 MET HE . 15776 1 947 . 1 1 99 99 MET HE3 H 1 2.21 0.02 . 1 . . . . 99 MET HE . 15776 1 948 . 1 1 99 99 MET HG2 H 1 2.99 0.02 . 2 . . . . 99 MET HG2 . 15776 1 949 . 1 1 99 99 MET HG3 H 1 3.12 0.02 . 2 . . . . 99 MET HG3 . 15776 1 950 . 1 1 99 99 MET C C 13 173.1 0.3 . 1 . . . . 99 MET C . 15776 1 951 . 1 1 99 99 MET CA C 13 54.4 0.3 . 1 . . . . 99 MET CA . 15776 1 952 . 1 1 99 99 MET CB C 13 37.9 0.3 . 1 . . . . 99 MET CB . 15776 1 953 . 1 1 99 99 MET CE C 13 17.7 0.3 . 1 . . . . 99 MET CE . 15776 1 954 . 1 1 99 99 MET CG C 13 33.2 0.3 . 1 . . . . 99 MET CG . 15776 1 955 . 1 1 99 99 MET N N 15 126.4 0.3 . 1 . . . . 99 MET N . 15776 1 956 . 1 1 100 100 ARG H H 1 7.93 0.02 . 1 . . . . 100 ARG H . 15776 1 957 . 1 1 100 100 ARG HA H 1 5.37 0.02 . 1 . . . . 100 ARG HA . 15776 1 958 . 1 1 100 100 ARG HB2 H 1 1.76 0.02 . 2 . . . . 100 ARG HB2 . 15776 1 959 . 1 1 100 100 ARG HB3 H 1 1.84 0.02 . 2 . . . . 100 ARG HB3 . 15776 1 960 . 1 1 100 100 ARG HD3 H 1 2.87 0.02 . 1 . . . . 100 ARG HD3 . 15776 1 961 . 1 1 100 100 ARG HG2 H 1 1.43 0.02 . 2 . . . . 100 ARG HG2 . 15776 1 962 . 1 1 100 100 ARG HG3 H 1 1.50 0.02 . 2 . . . . 100 ARG HG3 . 15776 1 963 . 1 1 100 100 ARG C C 13 175.2 0.3 . 1 . . . . 100 ARG C . 15776 1 964 . 1 1 100 100 ARG CA C 13 54.7 0.3 . 1 . . . . 100 ARG CA . 15776 1 965 . 1 1 100 100 ARG CB C 13 33.6 0.3 . 1 . . . . 100 ARG CB . 15776 1 966 . 1 1 100 100 ARG CD C 13 43.5 0.3 . 1 . . . . 100 ARG CD . 15776 1 967 . 1 1 100 100 ARG CG C 13 28.3 0.3 . 1 . . . . 100 ARG CG . 15776 1 968 . 1 1 100 100 ARG N N 15 120.2 0.3 . 1 . . . . 100 ARG N . 15776 1 969 . 1 1 101 101 TYR H H 1 9.11 0.02 . 1 . . . . 101 TYR H . 15776 1 970 . 1 1 101 101 TYR HA H 1 5.13 0.02 . 1 . . . . 101 TYR HA . 15776 1 971 . 1 1 101 101 TYR HB2 H 1 2.58 0.02 . 2 . . . . 101 TYR HB2 . 15776 1 972 . 1 1 101 101 TYR HB3 H 1 3.21 0.02 . 2 . . . . 101 TYR HB3 . 15776 1 973 . 1 1 101 101 TYR HD1 H 1 7.04 0.02 . 1 . . . . 101 TYR HD1 . 15776 1 974 . 1 1 101 101 TYR HD2 H 1 7.04 0.02 . 1 . . . . 101 TYR HD2 . 15776 1 975 . 1 1 101 101 TYR HE1 H 1 6.73 0.02 . 1 . . . . 101 TYR HE1 . 15776 1 976 . 1 1 101 101 TYR HE2 H 1 6.73 0.02 . 1 . . . . 101 TYR HE2 . 15776 1 977 . 1 1 101 101 TYR CA C 13 55.3 0.3 . 1 . . . . 101 TYR CA . 15776 1 978 . 1 1 101 101 TYR CB C 13 40.9 0.3 . 1 . . . . 101 TYR CB . 15776 1 979 . 1 1 101 101 TYR CD1 C 13 134.5 0.3 . 1 . . . . 101 TYR CD1 . 15776 1 980 . 1 1 101 101 TYR CD2 C 13 134.5 0.3 . 1 . . . . 101 TYR CD2 . 15776 1 981 . 1 1 101 101 TYR CE1 C 13 119.1 0.3 . 1 . . . . 101 TYR CE1 . 15776 1 982 . 1 1 101 101 TYR CE2 C 13 119.1 0.3 . 1 . . . . 101 TYR CE2 . 15776 1 983 . 1 1 101 101 TYR N N 15 121.1 0.3 . 1 . . . . 101 TYR N . 15776 1 984 . 1 1 122 122 PRO HA H 1 4.42 0.02 . 1 . . . . 122 PRO HA . 15776 1 985 . 1 1 122 122 PRO HB2 H 1 1.98 0.02 . 2 . . . . 122 PRO HB2 . 15776 1 986 . 1 1 122 122 PRO HB3 H 1 2.24 0.02 . 2 . . . . 122 PRO HB3 . 15776 1 987 . 1 1 122 122 PRO C C 13 175.6 0.3 . 1 . . . . 122 PRO C . 15776 1 988 . 1 1 122 122 PRO CA C 13 63.7 0.3 . 1 . . . . 122 PRO CA . 15776 1 989 . 1 1 122 122 PRO CB C 13 32.8 0.3 . 1 . . . . 122 PRO CB . 15776 1 990 . 1 1 122 122 PRO CD C 13 51.7 0.3 . 1 . . . . 122 PRO CD . 15776 1 991 . 1 1 122 122 PRO CG C 13 27.8 0.3 . 1 . . . . 122 PRO CG . 15776 1 992 . 1 1 123 123 ARG H H 1 7.79 0.02 . 1 . . . . 123 ARG H . 15776 1 993 . 1 1 123 123 ARG HA H 1 4.20 0.02 . 1 . . . . 123 ARG HA . 15776 1 994 . 1 1 123 123 ARG HB2 H 1 1.74 0.02 . 2 . . . . 123 ARG HB2 . 15776 1 995 . 1 1 123 123 ARG HB3 H 1 1.91 0.02 . 2 . . . . 123 ARG HB3 . 15776 1 996 . 1 1 123 123 ARG HD3 H 1 3.25 0.02 . 1 . . . . 123 ARG HD3 . 15776 1 997 . 1 1 123 123 ARG HG2 H 1 1.37 0.02 . 2 . . . . 123 ARG HG2 . 15776 1 998 . 1 1 123 123 ARG HG3 H 1 1.65 0.02 . 2 . . . . 123 ARG HG3 . 15776 1 999 . 1 1 123 123 ARG CA C 13 57.9 0.3 . 1 . . . . 123 ARG CA . 15776 1 1000 . 1 1 123 123 ARG CB C 13 32.4 0.3 . 1 . . . . 123 ARG CB . 15776 1 1001 . 1 1 123 123 ARG CD C 13 44.3 0.3 . 1 . . . . 123 ARG CD . 15776 1 1002 . 1 1 123 123 ARG CG C 13 27.9 0.3 . 1 . . . . 123 ARG CG . 15776 1 1003 . 1 1 123 123 ARG N N 15 126.3 0.3 . 1 . . . . 123 ARG N . 15776 1 stop_ save_