data_16661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16661 _Entry.Title ; Pf ACP with Transit Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-04 _Entry.Accession_date 2010-01-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR assignments for Pf ACP including the transit peptide.' _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 John Gallagher . R. . 16661 2 Sean Prigge . T. . 16661 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Johns Hopkins Biomolecular NMR Center' . 16661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 16661 '15N chemical shifts' 119 16661 '1H chemical shifts' 119 16661 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-16 2010-01-04 update BMRB 'update entry citation' 16661 1 . . 2010-01-12 2010-01-04 original author 'original release' 16661 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6516 'NMR structure of ACP without the transit peptide' 16661 PDB 3gzm 'Xray structure of ACP without the transit peptide' 16661 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16661 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19768685 _Citation.Full_citation . _Citation.Title 'Plasmodium falciparum acyl carrier protein crystal structures in disulfide-linked and reduced states and their prevalence during blood stage growth.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 3 _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 575 _Citation.Page_last 588 _Citation.Year 2010 _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 John Gallagher . R. . 16661 1 2 Sean Prigge . T. . 16661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16661 _Assembly.ID 1 _Assembly.Name TP-ACP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14255.129 _Assembly.Enzyme_commission_number . _Assembly.Details 'Holo-ACP with Transit Peptide' _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 TP-ACP 1 $TP-ACP A . yes native no no . . . 16661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TP-ACP _Entity.Sf_category entity _Entity.Sf_framecode TP-ACP _Entity.Entry_ID 16661 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TP-ACP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FKNTQKDGVSLQILKKKRSN QVNFLNRKNDYNLIKNKNPS SSLKSTFDDIKKIISKQLSV EEDKIQMNSNFTKDLGADSL DLVELIMALEEKFNVTISDQ DALKINTVQDAIDYIEKNNK Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Represents trafficking intermediate with signal peptide removed, containing residues 18-137 of Genbank AAC71866.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AAC71866 . ACP . . . . . . . . . . . . . . 16661 1 2 no BMRB 16506 . acyl_carrier_protein . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 3 no BMRB 16529 . acyl_carrier_protein . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 4 no BMRB 16530 . acyl_carrier_protein . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 5 no BMRB 16531 . acyl_carrier_protein . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 6 no BMRB 16532 . acyl_carrier_protein . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 7 no BMRB 16533 . acyl_carrier_protein . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 8 no PDB 2FQ0 . "Solution Structure Of Major Conformation Of Holo-Acyl Carrier Protein From Malaria Parasite Plasmodium Falciparum" . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 9 no PDB 2FQ2 . "Solution Structure Of Minor Conformation Of Holo-Acyl Carrier Protein From Malaria Parasite Plasmodium Falciparum" . . . . . 65.29 79 100.00 100.00 1.65e-44 . . . . 16661 1 10 no PDB 3GZL . "Crystal Structure Of Holo Pfacp Disulfide-Linked Dimer" . . . . . 66.94 81 100.00 100.00 8.31e-46 . . . . 16661 1 11 no PDB 3GZM . "Crystal Structure Of Holo Pfacp Reduced Monomer" . . . . . 66.94 81 100.00 100.00 8.31e-46 . . . . 16661 1 12 no EMBL CDO62314 . "acyl carrier protein [Plasmodium reichenowi]" . . . . . 100.00 137 99.17 99.17 6.90e-75 . . . . 16661 1 13 no GB AAC63959 . "acyl carrier protein precursor [Plasmodium falciparum]" . . . . . 100.00 137 100.00 100.00 1.34e-75 . . . . 16661 1 14 no GB AAC71866 . "apicoplast ACP [Plasmodium falciparum 3D7]" . . . . . 100.00 137 100.00 100.00 1.34e-75 . . . . 16661 1 15 no GB ETW20884 . "acyl carrier protein [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" . . . . . 100.00 128 100.00 100.00 7.02e-76 . . . . 16661 1 16 no GB ETW27965 . "acyl carrier protein [Plasmodium falciparum FCH/4]" . . . . . 100.00 295 100.00 100.00 1.46e-73 . . . . 16661 1 17 no GB ETW39040 . "acyl carrier protein [Plasmodium falciparum Tanzania (2000708)]" . . . . . 100.00 137 99.17 99.17 2.58e-74 . . . . 16661 1 18 no REF XP_001349595 . "apicoplast ACP [Plasmodium falciparum 3D7]" . . . . . 100.00 137 100.00 100.00 1.34e-75 . . . . 16661 1 19 no REF XP_012760964 . "acyl carrier protein [Plasmodium reichenowi]" . . . . . 100.00 137 99.17 99.17 6.90e-75 . . . . 16661 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Fatty Acid Biosynthesis' 16661 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 17 PHE . 16661 1 2 18 LYS . 16661 1 3 19 ASN . 16661 1 4 20 THR . 16661 1 5 21 GLN . 16661 1 6 22 LYS . 16661 1 7 23 ASP . 16661 1 8 24 GLY . 16661 1 9 25 VAL . 16661 1 10 26 SER . 16661 1 11 27 LEU . 16661 1 12 28 GLN . 16661 1 13 29 ILE . 16661 1 14 30 LEU . 16661 1 15 31 LYS . 16661 1 16 32 LYS . 16661 1 17 33 LYS . 16661 1 18 34 ARG . 16661 1 19 35 SER . 16661 1 20 36 ASN . 16661 1 21 37 GLN . 16661 1 22 38 VAL . 16661 1 23 39 ASN . 16661 1 24 40 PHE . 16661 1 25 41 LEU . 16661 1 26 42 ASN . 16661 1 27 43 ARG . 16661 1 28 44 LYS . 16661 1 29 45 ASN . 16661 1 30 46 ASP . 16661 1 31 47 TYR . 16661 1 32 48 ASN . 16661 1 33 49 LEU . 16661 1 34 50 ILE . 16661 1 35 51 LYS . 16661 1 36 52 ASN . 16661 1 37 53 LYS . 16661 1 38 54 ASN . 16661 1 39 55 PRO . 16661 1 40 56 SER . 16661 1 41 57 SER . 16661 1 42 58 SER . 16661 1 43 59 LEU . 16661 1 44 60 LYS . 16661 1 45 61 SER . 16661 1 46 62 THR . 16661 1 47 63 PHE . 16661 1 48 64 ASP . 16661 1 49 65 ASP . 16661 1 50 66 ILE . 16661 1 51 67 LYS . 16661 1 52 68 LYS . 16661 1 53 69 ILE . 16661 1 54 70 ILE . 16661 1 55 71 SER . 16661 1 56 72 LYS . 16661 1 57 73 GLN . 16661 1 58 74 LEU . 16661 1 59 75 SER . 16661 1 60 76 VAL . 16661 1 61 77 GLU . 16661 1 62 78 GLU . 16661 1 63 79 ASP . 16661 1 64 80 LYS . 16661 1 65 81 ILE . 16661 1 66 82 GLN . 16661 1 67 83 MET . 16661 1 68 84 ASN . 16661 1 69 85 SER . 16661 1 70 86 ASN . 16661 1 71 87 PHE . 16661 1 72 88 THR . 16661 1 73 89 LYS . 16661 1 74 90 ASP . 16661 1 75 91 LEU . 16661 1 76 92 GLY . 16661 1 77 93 ALA . 16661 1 78 94 ASP . 16661 1 79 95 SER . 16661 1 80 96 LEU . 16661 1 81 97 ASP . 16661 1 82 98 LEU . 16661 1 83 99 VAL . 16661 1 84 100 GLU . 16661 1 85 101 LEU . 16661 1 86 102 ILE . 16661 1 87 103 MET . 16661 1 88 104 ALA . 16661 1 89 105 LEU . 16661 1 90 106 GLU . 16661 1 91 107 GLU . 16661 1 92 108 LYS . 16661 1 93 109 PHE . 16661 1 94 110 ASN . 16661 1 95 111 VAL . 16661 1 96 112 THR . 16661 1 97 113 ILE . 16661 1 98 114 SER . 16661 1 99 115 ASP . 16661 1 100 116 GLN . 16661 1 101 117 ASP . 16661 1 102 118 ALA . 16661 1 103 119 LEU . 16661 1 104 120 LYS . 16661 1 105 121 ILE . 16661 1 106 122 ASN . 16661 1 107 123 THR . 16661 1 108 124 VAL . 16661 1 109 125 GLN . 16661 1 110 126 ASP . 16661 1 111 127 ALA . 16661 1 112 128 ILE . 16661 1 113 129 ASP . 16661 1 114 130 TYR . 16661 1 115 131 ILE . 16661 1 116 132 GLU . 16661 1 117 133 LYS . 16661 1 118 134 ASN . 16661 1 119 135 ASN . 16661 1 120 136 LYS . 16661 1 121 137 GLN . 16661 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 . PHE 1 1 16661 1 . LYS 2 2 16661 1 . ASN 3 3 16661 1 . THR 4 4 16661 1 . GLN 5 5 16661 1 . LYS 6 6 16661 1 . ASP 7 7 16661 1 . GLY 8 8 16661 1 . VAL 9 9 16661 1 . SER 10 10 16661 1 . LEU 11 11 16661 1 . GLN 12 12 16661 1 . ILE 13 13 16661 1 . LEU 14 14 16661 1 . LYS 15 15 16661 1 . LYS 16 16 16661 1 . LYS 17 17 16661 1 . ARG 18 18 16661 1 . SER 19 19 16661 1 . ASN 20 20 16661 1 . GLN 21 21 16661 1 . VAL 22 22 16661 1 . ASN 23 23 16661 1 . PHE 24 24 16661 1 . LEU 25 25 16661 1 . ASN 26 26 16661 1 . ARG 27 27 16661 1 . LYS 28 28 16661 1 . ASN 29 29 16661 1 . ASP 30 30 16661 1 . TYR 31 31 16661 1 . ASN 32 32 16661 1 . LEU 33 33 16661 1 . ILE 34 34 16661 1 . LYS 35 35 16661 1 . ASN 36 36 16661 1 . LYS 37 37 16661 1 . ASN 38 38 16661 1 . PRO 39 39 16661 1 . SER 40 40 16661 1 . SER 41 41 16661 1 . SER 42 42 16661 1 . LEU 43 43 16661 1 . LYS 44 44 16661 1 . SER 45 45 16661 1 . THR 46 46 16661 1 . PHE 47 47 16661 1 . ASP 48 48 16661 1 . ASP 49 49 16661 1 . ILE 50 50 16661 1 . LYS 51 51 16661 1 . LYS 52 52 16661 1 . ILE 53 53 16661 1 . ILE 54 54 16661 1 . SER 55 55 16661 1 . LYS 56 56 16661 1 . GLN 57 57 16661 1 . LEU 58 58 16661 1 . SER 59 59 16661 1 . VAL 60 60 16661 1 . GLU 61 61 16661 1 . GLU 62 62 16661 1 . ASP 63 63 16661 1 . LYS 64 64 16661 1 . ILE 65 65 16661 1 . GLN 66 66 16661 1 . MET 67 67 16661 1 . ASN 68 68 16661 1 . SER 69 69 16661 1 . ASN 70 70 16661 1 . PHE 71 71 16661 1 . THR 72 72 16661 1 . LYS 73 73 16661 1 . ASP 74 74 16661 1 . LEU 75 75 16661 1 . GLY 76 76 16661 1 . ALA 77 77 16661 1 . ASP 78 78 16661 1 . SER 79 79 16661 1 . LEU 80 80 16661 1 . ASP 81 81 16661 1 . LEU 82 82 16661 1 . VAL 83 83 16661 1 . GLU 84 84 16661 1 . LEU 85 85 16661 1 . ILE 86 86 16661 1 . MET 87 87 16661 1 . ALA 88 88 16661 1 . LEU 89 89 16661 1 . GLU 90 90 16661 1 . GLU 91 91 16661 1 . LYS 92 92 16661 1 . PHE 93 93 16661 1 . ASN 94 94 16661 1 . VAL 95 95 16661 1 . THR 96 96 16661 1 . ILE 97 97 16661 1 . SER 98 98 16661 1 . ASP 99 99 16661 1 . GLN 100 100 16661 1 . ASP 101 101 16661 1 . ALA 102 102 16661 1 . LEU 103 103 16661 1 . LYS 104 104 16661 1 . ILE 105 105 16661 1 . ASN 106 106 16661 1 . THR 107 107 16661 1 . VAL 108 108 16661 1 . GLN 109 109 16661 1 . ASP 110 110 16661 1 . ALA 111 111 16661 1 . ILE 112 112 16661 1 . ASP 113 113 16661 1 . TYR 114 114 16661 1 . ILE 115 115 16661 1 . GLU 116 116 16661 1 . LYS 117 117 16661 1 . ASN 118 118 16661 1 . ASN 119 119 16661 1 . LYS 120 120 16661 1 . GLN 121 121 16661 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16661 _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 $TP-ACP . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum 3D7 . . . . . . . . . . . . . . . ACP . 'Apicoplast localized ACP' . . 16661 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 16661 _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 $TP-ACP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(Star)DE3 . . . . . . . . . . . . . . . pSPr026 . . . . . . 16661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16661 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TP-ACP '[U-13C; U-15N]' . . 1 $TP-ACP . . 940 . . uM . . . . 16661 1 2 D3NaAcetate [U-2H] . . . . . . 30 . . mM . . . . 16661 1 3 CaCl2 'natural abundance' . . . . . . 20 . . mM . . . . 16661 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16661 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16661 1 6 D2O [U-2H] . . . . . . 10 . . % . . . . 16661 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16661 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16661 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16661 1 pH 5.5 . pH 16661 1 pressure 1 . atm 16661 1 temperature 298 . K 16661 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16661 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16661 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16661 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16661 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16661 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16661 2 stop_ save_ save_MONTE _Software.Sf_category software _Software.Sf_framecode MONTE _Software.Entry_ID 16661 _Software.ID 3 _Software.Name MONTE _Software.Version 2.02 _Software.Details 'Monte Carlo Simulated Annealing Assignment Software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hitchens, T. K. Lukin, J. A. Zhan, Y. McCallum, S. A. Rule, G. S.' . . 16661 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16661 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 16661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Experiments performed: HNCA, HNCACB, HN(CO)CA' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16661 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Experiments performed: CBCA(CO)NH, HN(CO)CACB' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16661 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 'Experiments performed: HNCA, HNCACB, HN(CO)CA' . . 16661 1 2 spectrometer_2 Varian INOVA . 600 'Experiments performed: CBCA(CO)NH, HN(CO)CACB' . . 16661 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 16661 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16661 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16661 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16661 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16661 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16661 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 16661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16661 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16661 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16661 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 16661 _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 '3D HNCA' . . . 16661 1 2 '3D HNCACB' . . . 16661 1 3 '3D HN(CO)CA' . . . 16661 1 4 '3D CBCA(CO)NH' . . . 16661 1 5 '3D HN(CO)CACB' . . . 16661 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 $MONTE . . 16661 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS H H 1 7.09 0.1 . 1 . . . . 18 LYS H . 16661 1 2 . 1 1 2 2 LYS CA C 13 56.00 0.1 . 1 . . . . 18 LYS CA . 16661 1 3 . 1 1 2 2 LYS CB C 13 32.86 0.1 . 1 . . . . 18 LYS CB . 16661 1 4 . 1 1 2 2 LYS N N 15 115.48 0.1 . 1 . . . . 18 LYS N . 16661 1 5 . 1 1 3 3 ASN H H 1 8.60 0.1 . 1 . . . . 19 ASN H . 16661 1 6 . 1 1 3 3 ASN CA C 13 53.29 0.1 . 1 . . . . 19 ASN CA . 16661 1 7 . 1 1 3 3 ASN CB C 13 38.79 0.1 . 1 . . . . 19 ASN CB . 16661 1 8 . 1 1 3 3 ASN N N 15 121.27 0.1 . 1 . . . . 19 ASN N . 16661 1 9 . 1 1 4 4 THR H H 1 8.22 0.1 . 1 . . . . 20 THR H . 16661 1 10 . 1 1 4 4 THR CA C 13 62.02 0.1 . 1 . . . . 20 THR CA . 16661 1 11 . 1 1 4 4 THR CB C 13 69.65 0.1 . 1 . . . . 20 THR CB . 16661 1 12 . 1 1 4 4 THR N N 15 114.97 0.1 . 1 . . . . 20 THR N . 16661 1 13 . 1 1 5 5 GLN H H 1 8.38 0.1 . 1 . . . . 21 GLN H . 16661 1 14 . 1 1 5 5 GLN CA C 13 56.18 0.1 . 1 . . . . 21 GLN CA . 16661 1 15 . 1 1 5 5 GLN CB C 13 29.31 0.1 . 1 . . . . 21 GLN CB . 16661 1 16 . 1 1 5 5 GLN N N 15 122.62 0.1 . 1 . . . . 21 GLN N . 16661 1 17 . 1 1 6 6 LYS H H 1 8.35 0.1 . 1 . . . . 22 LYS H . 16661 1 18 . 1 1 6 6 LYS CA C 13 56.61 0.1 . 1 . . . . 22 LYS CA . 16661 1 19 . 1 1 6 6 LYS CB C 13 32.99 0.1 . 1 . . . . 22 LYS CB . 16661 1 20 . 1 1 6 6 LYS N N 15 122.62 0.1 . 1 . . . . 22 LYS N . 16661 1 21 . 1 1 7 7 ASP H H 1 8.31 0.1 . 1 . . . . 23 ASP H . 16661 1 22 . 1 1 7 7 ASP CA C 13 54.59 0.1 . 1 . . . . 23 ASP CA . 16661 1 23 . 1 1 7 7 ASP CB C 13 41.18 0.1 . 1 . . . . 23 ASP CB . 16661 1 24 . 1 1 7 7 ASP N N 15 121.20 0.1 . 1 . . . . 23 ASP N . 16661 1 25 . 1 1 8 8 GLY H H 1 8.32 0.1 . 1 . . . . 24 GLY H . 16661 1 26 . 1 1 8 8 GLY CA C 13 45.75 0.1 . 1 . . . . 24 GLY CA . 16661 1 27 . 1 1 8 8 GLY N N 15 108.88 0.1 . 1 . . . . 24 GLY N . 16661 1 28 . 1 1 9 9 VAL H H 1 7.98 0.1 . 1 . . . . 25 VAL H . 16661 1 29 . 1 1 9 9 VAL CA C 13 63.00 0.1 . 1 . . . . 25 VAL CA . 16661 1 30 . 1 1 9 9 VAL CB C 13 32.47 0.1 . 1 . . . . 25 VAL CB . 16661 1 31 . 1 1 9 9 VAL N N 15 119.94 0.1 . 1 . . . . 25 VAL N . 16661 1 32 . 1 1 10 10 SER H H 1 8.31 0.1 . 1 . . . . 26 SER H . 16661 1 33 . 1 1 10 10 SER CA C 13 58.79 0.1 . 1 . . . . 26 SER CA . 16661 1 34 . 1 1 10 10 SER CB C 13 63.79 0.1 . 1 . . . . 26 SER CB . 16661 1 35 . 1 1 10 10 SER N N 15 118.91 0.1 . 1 . . . . 26 SER N . 16661 1 36 . 1 1 11 11 LEU H H 1 8.28 0.1 . 1 . . . . 27 LEU H . 16661 1 37 . 1 1 11 11 LEU CA C 13 56.20 0.1 . 1 . . . . 27 LEU CA . 16661 1 38 . 1 1 11 11 LEU CB C 13 42.02 0.1 . 1 . . . . 27 LEU CB . 16661 1 39 . 1 1 11 11 LEU N N 15 124.16 0.1 . 1 . . . . 27 LEU N . 16661 1 40 . 1 1 12 12 GLN H H 1 8.22 0.1 . 1 . . . . 28 GLN H . 16661 1 41 . 1 1 12 12 GLN CA C 13 57.09 0.1 . 1 . . . . 28 GLN CA . 16661 1 42 . 1 1 12 12 GLN CB C 13 28.79 0.1 . 1 . . . . 28 GLN CB . 16661 1 43 . 1 1 12 12 GLN N N 15 119.94 0.1 . 1 . . . . 28 GLN N . 16661 1 44 . 1 1 13 13 ILE H H 1 7.96 0.1 . 1 . . . . 29 ILE H . 16661 1 45 . 1 1 13 13 ILE CA C 13 62.27 0.1 . 1 . . . . 29 ILE CA . 16661 1 46 . 1 1 13 13 ILE CB C 13 38.15 0.1 . 1 . . . . 29 ILE CB . 16661 1 47 . 1 1 13 13 ILE N N 15 121.27 0.1 . 1 . . . . 29 ILE N . 16661 1 48 . 1 1 14 14 LEU H H 1 8.09 0.1 . 1 . . . . 30 LEU H . 16661 1 49 . 1 1 14 14 LEU CA C 13 56.08 0.1 . 1 . . . . 30 LEU CA . 16661 1 50 . 1 1 14 14 LEU CB C 13 42.11 0.1 . 1 . . . . 30 LEU CB . 16661 1 51 . 1 1 14 14 LEU N N 15 124.31 0.1 . 1 . . . . 30 LEU N . 16661 1 52 . 1 1 15 15 LYS H H 1 8.18 0.1 . 1 . . . . 31 LYS H . 16661 1 53 . 1 1 15 15 LYS CA C 13 57.29 0.1 . 1 . . . . 31 LYS CA . 16661 1 54 . 1 1 15 15 LYS CB C 13 32.75 0.1 . 1 . . . . 31 LYS CB . 16661 1 55 . 1 1 15 15 LYS N N 15 120.98 0.1 . 1 . . . . 31 LYS N . 16661 1 56 . 1 1 16 16 LYS H H 1 8.02 0.1 . 1 . . . . 32 LYS H . 16661 1 57 . 1 1 16 16 LYS CA C 13 57.02 0.1 . 1 . . . . 32 LYS CA . 16661 1 58 . 1 1 16 16 LYS CB C 13 32.84 0.1 . 1 . . . . 32 LYS CB . 16661 1 59 . 1 1 16 16 LYS N N 15 121.73 0.1 . 1 . . . . 32 LYS N . 16661 1 60 . 1 1 17 17 LYS H H 1 8.25 0.1 . 1 . . . . 33 LYS H . 16661 1 61 . 1 1 17 17 LYS CA C 13 57.06 0.1 . 1 . . . . 33 LYS CA . 16661 1 62 . 1 1 17 17 LYS CB C 13 32.88 0.1 . 1 . . . . 33 LYS CB . 16661 1 63 . 1 1 17 17 LYS N N 15 122.23 0.1 . 1 . . . . 33 LYS N . 16661 1 64 . 1 1 18 18 ARG H H 1 8.34 0.1 . 1 . . . . 34 ARG H . 16661 1 65 . 1 1 18 18 ARG CA C 13 56.75 0.1 . 1 . . . . 34 ARG CA . 16661 1 66 . 1 1 18 18 ARG CB C 13 30.68 0.1 . 1 . . . . 34 ARG CB . 16661 1 67 . 1 1 18 18 ARG N N 15 121.94 0.1 . 1 . . . . 34 ARG N . 16661 1 68 . 1 1 19 19 SER H H 1 8.30 0.1 . 1 . . . . 35 SER H . 16661 1 69 . 1 1 19 19 SER CA C 13 58.79 0.1 . 1 . . . . 35 SER CA . 16661 1 70 . 1 1 19 19 SER CB C 13 63.68 0.1 . 1 . . . . 35 SER CB . 16661 1 71 . 1 1 19 19 SER N N 15 116.52 0.1 . 1 . . . . 35 SER N . 16661 1 72 . 1 1 20 20 ASN H H 1 8.39 0.1 . 1 . . . . 36 ASN H . 16661 1 73 . 1 1 20 20 ASN CA C 13 53.56 0.1 . 1 . . . . 36 ASN CA . 16661 1 74 . 1 1 20 20 ASN CB C 13 38.70 0.1 . 1 . . . . 36 ASN CB . 16661 1 75 . 1 1 20 20 ASN N N 15 120.54 0.1 . 1 . . . . 36 ASN N . 16661 1 76 . 1 1 21 21 GLN H H 1 8.22 0.1 . 1 . . . . 37 GLN H . 16661 1 77 . 1 1 21 21 GLN CA C 13 56.38 0.1 . 1 . . . . 37 GLN CA . 16661 1 78 . 1 1 21 21 GLN CB C 13 29.32 0.1 . 1 . . . . 37 GLN CB . 16661 1 79 . 1 1 21 21 GLN N N 15 120.45 0.1 . 1 . . . . 37 GLN N . 16661 1 80 . 1 1 22 22 VAL H H 1 8.10 0.1 . 1 . . . . 38 VAL H . 16661 1 81 . 1 1 22 22 VAL CA C 13 62.86 0.1 . 1 . . . . 38 VAL CA . 16661 1 82 . 1 1 22 22 VAL CB C 13 32.52 0.1 . 1 . . . . 38 VAL CB . 16661 1 83 . 1 1 22 22 VAL N N 15 120.83 0.1 . 1 . . . . 38 VAL N . 16661 1 84 . 1 1 23 23 ASN H H 1 8.34 0.1 . 1 . . . . 39 ASN H . 16661 1 85 . 1 1 23 23 ASN CA C 13 53.36 0.1 . 1 . . . . 39 ASN CA . 16661 1 86 . 1 1 23 23 ASN CB C 13 38.83 0.1 . 1 . . . . 39 ASN CB . 16661 1 87 . 1 1 23 23 ASN N N 15 121.34 0.1 . 1 . . . . 39 ASN N . 16661 1 88 . 1 1 24 24 PHE H H 1 8.17 0.1 . 1 . . . . 40 PHE H . 16661 1 89 . 1 1 24 24 PHE CA C 13 58.36 0.1 . 1 . . . . 40 PHE CA . 16661 1 90 . 1 1 24 24 PHE CB C 13 39.33 0.1 . 1 . . . . 40 PHE CB . 16661 1 91 . 1 1 24 24 PHE N N 15 120.91 0.1 . 1 . . . . 40 PHE N . 16661 1 92 . 1 1 25 25 LEU H H 1 8.09 0.1 . 1 . . . . 41 LEU H . 16661 1 93 . 1 1 25 25 LEU CA C 13 55.65 0.1 . 1 . . . . 41 LEU CA . 16661 1 94 . 1 1 25 25 LEU CB C 13 42.11 0.1 . 1 . . . . 41 LEU CB . 16661 1 95 . 1 1 25 25 LEU N N 15 122.23 0.1 . 1 . . . . 41 LEU N . 16661 1 96 . 1 1 26 26 ASN H H 1 8.22 0.1 . 1 . . . . 42 ASN H . 16661 1 97 . 1 1 26 26 ASN CA C 13 53.36 0.1 . 1 . . . . 42 ASN CA . 16661 1 98 . 1 1 26 26 ASN CB C 13 38.59 0.1 . 1 . . . . 42 ASN CB . 16661 1 99 . 1 1 26 26 ASN N N 15 118.76 0.1 . 1 . . . . 42 ASN N . 16661 1 100 . 1 1 27 27 ARG H H 1 8.07 0.1 . 1 . . . . 43 ARG H . 16661 1 101 . 1 1 27 27 ARG CA C 13 56.33 0.1 . 1 . . . . 43 ARG CA . 16661 1 102 . 1 1 27 27 ARG CB C 13 30.63 0.1 . 1 . . . . 43 ARG CB . 16661 1 103 . 1 1 27 27 ARG N N 15 121.12 0.1 . 1 . . . . 43 ARG N . 16661 1 104 . 1 1 28 28 LYS H H 1 8.28 0.1 . 1 . . . . 44 LYS H . 16661 1 105 . 1 1 28 28 LYS CA C 13 56.63 0.1 . 1 . . . . 44 LYS CA . 16661 1 106 . 1 1 28 28 LYS CB C 13 32.79 0.1 . 1 . . . . 44 LYS CB . 16661 1 107 . 1 1 28 28 LYS N N 15 121.94 0.1 . 1 . . . . 44 LYS N . 16661 1 108 . 1 1 29 29 ASN H H 1 8.36 0.1 . 1 . . . . 45 ASN H . 16661 1 109 . 1 1 29 29 ASN CA C 13 53.38 0.1 . 1 . . . . 45 ASN CA . 16661 1 110 . 1 1 29 29 ASN CB C 13 38.86 0.1 . 1 . . . . 45 ASN CB . 16661 1 111 . 1 1 29 29 ASN N N 15 119.43 0.1 . 1 . . . . 45 ASN N . 16661 1 112 . 1 1 30 30 ASP H H 1 8.14 0.1 . 1 . . . . 46 ASP H . 16661 1 113 . 1 1 30 30 ASP CA C 13 54.34 0.1 . 1 . . . . 46 ASP CA . 16661 1 114 . 1 1 30 30 ASP CB C 13 40.90 0.1 . 1 . . . . 46 ASP CB . 16661 1 115 . 1 1 30 30 ASP N N 15 120.61 0.1 . 1 . . . . 46 ASP N . 16661 1 116 . 1 1 31 31 TYR H H 1 8.07 0.1 . 1 . . . . 47 TYR H . 16661 1 117 . 1 1 31 31 TYR CA C 13 58.65 0.1 . 1 . . . . 47 TYR CA . 16661 1 118 . 1 1 31 31 TYR CB C 13 38.24 0.1 . 1 . . . . 47 TYR CB . 16661 1 119 . 1 1 31 31 TYR N N 15 120.91 0.1 . 1 . . . . 47 TYR N . 16661 1 120 . 1 1 32 32 ASN H H 1 8.27 0.1 . 1 . . . . 48 ASN H . 16661 1 121 . 1 1 32 32 ASN CA C 13 53.74 0.1 . 1 . . . . 48 ASN CA . 16661 1 122 . 1 1 32 32 ASN CB C 13 38.59 0.1 . 1 . . . . 48 ASN CB . 16661 1 123 . 1 1 32 32 ASN N N 15 119.12 0.1 . 1 . . . . 48 ASN N . 16661 1 124 . 1 1 33 33 LEU H H 1 7.90 0.1 . 1 . . . . 49 LEU H . 16661 1 125 . 1 1 33 33 LEU CA C 13 55.72 0.1 . 1 . . . . 49 LEU CA . 16661 1 126 . 1 1 33 33 LEU CB C 13 42.18 0.1 . 1 . . . . 49 LEU CB . 16661 1 127 . 1 1 33 33 LEU N N 15 121.50 0.1 . 1 . . . . 49 LEU N . 16661 1 128 . 1 1 34 34 ILE H H 1 7.94 0.1 . 1 . . . . 50 ILE H . 16661 1 129 . 1 1 34 34 ILE CA C 13 61.40 0.1 . 1 . . . . 50 ILE CA . 16661 1 130 . 1 1 34 34 ILE CB C 13 38.18 0.1 . 1 . . . . 50 ILE CB . 16661 1 131 . 1 1 34 34 ILE N N 15 120.98 0.1 . 1 . . . . 50 ILE N . 16661 1 132 . 1 1 35 35 LYS H H 1 8.22 0.1 . 1 . . . . 51 LYS H . 16661 1 133 . 1 1 35 35 LYS CA C 13 56.52 0.1 . 1 . . . . 51 LYS CA . 16661 1 134 . 1 1 35 35 LYS CB C 13 32.81 0.1 . 1 . . . . 51 LYS CB . 16661 1 135 . 1 1 35 35 LYS N N 15 124.76 0.1 . 1 . . . . 51 LYS N . 16661 1 136 . 1 1 36 36 ASN H H 1 8.28 0.1 . 1 . . . . 52 ASN H . 16661 1 137 . 1 1 36 36 ASN CA C 13 53.27 0.1 . 1 . . . . 52 ASN CA . 16661 1 138 . 1 1 36 36 ASN CB C 13 38.84 0.1 . 1 . . . . 52 ASN CB . 16661 1 139 . 1 1 36 36 ASN N N 15 119.50 0.1 . 1 . . . . 52 ASN N . 16661 1 140 . 1 1 37 37 LYS H H 1 8.22 0.1 . 1 . . . . 53 LYS H . 16661 1 141 . 1 1 37 37 LYS CA C 13 56.36 0.1 . 1 . . . . 53 LYS CA . 16661 1 142 . 1 1 37 37 LYS CB C 13 32.99 0.1 . 1 . . . . 53 LYS CB . 16661 1 143 . 1 1 37 37 LYS N N 15 121.65 0.1 . 1 . . . . 53 LYS N . 16661 1 144 . 1 1 38 38 ASN H H 1 8.46 0.1 . 1 . . . . 54 ASN H . 16661 1 145 . 1 1 38 38 ASN CA C 13 51.40 0.1 . 1 . . . . 54 ASN CA . 16661 1 146 . 1 1 38 38 ASN CB C 13 38.72 0.1 . 1 . . . . 54 ASN CB . 16661 1 147 . 1 1 38 38 ASN N N 15 120.69 0.1 . 1 . . . . 54 ASN N . 16661 1 148 . 1 1 39 39 PRO CA C 13 63.70 0.1 . 1 . . . . 55 PRO CA . 16661 1 149 . 1 1 39 39 PRO CB C 13 32.08 0.1 . 1 . . . . 55 PRO CB . 16661 1 150 . 1 1 40 40 SER H H 1 8.39 0.1 . 1 . . . . 56 SER H . 16661 1 151 . 1 1 40 40 SER CA C 13 58.68 0.1 . 1 . . . . 56 SER CA . 16661 1 152 . 1 1 40 40 SER CB C 13 63.68 0.1 . 1 . . . . 56 SER CB . 16661 1 153 . 1 1 40 40 SER N N 15 115.72 0.1 . 1 . . . . 56 SER N . 16661 1 154 . 1 1 41 41 SER H H 1 8.31 0.1 . 1 . . . . 57 SER H . 16661 1 155 . 1 1 41 41 SER CA C 13 58.79 0.1 . 1 . . . . 57 SER CA . 16661 1 156 . 1 1 41 41 SER CB C 13 63.84 0.1 . 1 . . . . 57 SER CB . 16661 1 157 . 1 1 41 41 SER N N 15 117.87 0.1 . 1 . . . . 57 SER N . 16661 1 158 . 1 1 42 42 SER H H 1 8.35 0.1 . 1 . . . . 58 SER H . 16661 1 159 . 1 1 42 42 SER CA C 13 58.70 0.1 . 1 . . . . 58 SER CA . 16661 1 160 . 1 1 42 42 SER CB C 13 63.83 0.1 . 1 . . . . 58 SER CB . 16661 1 161 . 1 1 42 42 SER N N 15 117.87 0.1 . 1 . . . . 58 SER N . 16661 1 162 . 1 1 43 43 LEU H H 1 8.25 0.1 . 1 . . . . 59 LEU H . 16661 1 163 . 1 1 43 43 LEU CA C 13 56.45 0.1 . 1 . . . . 59 LEU CA . 16661 1 164 . 1 1 43 43 LEU CB C 13 42.00 0.1 . 1 . . . . 59 LEU CB . 16661 1 165 . 1 1 43 43 LEU N N 15 124.40 0.1 . 1 . . . . 59 LEU N . 16661 1 166 . 1 1 44 44 LYS H H 1 8.25 0.1 . 1 . . . . 60 LYS H . 16661 1 167 . 1 1 44 44 LYS CA C 13 57.49 0.1 . 1 . . . . 60 LYS CA . 16661 1 168 . 1 1 44 44 LYS CB C 13 32.86 0.1 . 1 . . . . 60 LYS CB . 16661 1 169 . 1 1 44 44 LYS N N 15 121.20 0.1 . 1 . . . . 60 LYS N . 16661 1 170 . 1 1 45 45 SER H H 1 8.50 0.1 . 1 . . . . 61 SER H . 16661 1 171 . 1 1 45 45 SER CA C 13 59.24 0.1 . 1 . . . . 61 SER CA . 16661 1 172 . 1 1 45 45 SER CB C 13 63.77 0.1 . 1 . . . . 61 SER CB . 16661 1 173 . 1 1 45 45 SER N N 15 116.45 0.1 . 1 . . . . 61 SER N . 16661 1 174 . 1 1 46 46 THR H H 1 8.32 0.1 . 1 . . . . 62 THR H . 16661 1 175 . 1 1 46 46 THR CA C 13 66.59 0.1 . 1 . . . . 62 THR CA . 16661 1 176 . 1 1 46 46 THR CB C 13 68.31 0.1 . 1 . . . . 62 THR CB . 16661 1 177 . 1 1 46 46 THR N N 15 119.50 0.1 . 1 . . . . 62 THR N . 16661 1 178 . 1 1 47 47 PHE H H 1 8.68 0.1 . 1 . . . . 63 PHE H . 16661 1 179 . 1 1 47 47 PHE CA C 13 59.59 0.1 . 1 . . . . 63 PHE CA . 16661 1 180 . 1 1 47 47 PHE CB C 13 38.75 0.1 . 1 . . . . 63 PHE CB . 16661 1 181 . 1 1 47 47 PHE N N 15 120.69 0.1 . 1 . . . . 63 PHE N . 16661 1 182 . 1 1 48 48 ASP H H 1 8.27 0.1 . 1 . . . . 64 ASP H . 16661 1 183 . 1 1 48 48 ASP CA C 13 58.06 0.1 . 1 . . . . 64 ASP CA . 16661 1 184 . 1 1 48 48 ASP CB C 13 40.50 0.1 . 1 . . . . 64 ASP CB . 16661 1 185 . 1 1 48 48 ASP N N 15 119.50 0.1 . 1 . . . . 64 ASP N . 16661 1 186 . 1 1 49 49 ASP H H 1 8.17 0.1 . 1 . . . . 65 ASP H . 16661 1 187 . 1 1 49 49 ASP CA C 13 57.50 0.1 . 1 . . . . 65 ASP CA . 16661 1 188 . 1 1 49 49 ASP CB C 13 41.29 0.1 . 1 . . . . 65 ASP CB . 16661 1 189 . 1 1 49 49 ASP N N 15 118.91 0.1 . 1 . . . . 65 ASP N . 16661 1 190 . 1 1 50 50 ILE H H 1 8.76 0.1 . 1 . . . . 66 ILE H . 16661 1 191 . 1 1 50 50 ILE CA C 13 65.98 0.1 . 1 . . . . 66 ILE CA . 16661 1 192 . 1 1 50 50 ILE CB C 13 37.61 0.1 . 1 . . . . 66 ILE CB . 16661 1 193 . 1 1 50 50 ILE N N 15 121.34 0.1 . 1 . . . . 66 ILE N . 16661 1 194 . 1 1 51 51 LYS H H 1 8.69 0.1 . 1 . . . . 67 LYS H . 16661 1 195 . 1 1 51 51 LYS CA C 13 61.20 0.1 . 1 . . . . 67 LYS CA . 16661 1 196 . 1 1 51 51 LYS CB C 13 32.20 0.1 . 1 . . . . 67 LYS CB . 16661 1 197 . 1 1 51 51 LYS N N 15 122.01 0.1 . 1 . . . . 67 LYS N . 16661 1 198 . 1 1 52 52 LYS H H 1 7.36 0.1 . 1 . . . . 68 LYS H . 16661 1 199 . 1 1 52 52 LYS CA C 13 59.61 0.1 . 1 . . . . 68 LYS CA . 16661 1 200 . 1 1 52 52 LYS CB C 13 32.25 0.1 . 1 . . . . 68 LYS CB . 16661 1 201 . 1 1 52 52 LYS N N 15 117.72 0.1 . 1 . . . . 68 LYS N . 16661 1 202 . 1 1 53 53 ILE H H 1 7.28 0.1 . 1 . . . . 69 ILE H . 16661 1 203 . 1 1 53 53 ILE CA C 13 64.73 0.1 . 1 . . . . 69 ILE CA . 16661 1 204 . 1 1 53 53 ILE CB C 13 38.77 0.1 . 1 . . . . 69 ILE CB . 16661 1 205 . 1 1 53 53 ILE N N 15 119.43 0.1 . 1 . . . . 69 ILE N . 16661 1 206 . 1 1 54 54 ILE H H 1 8.56 0.1 . 1 . . . . 70 ILE H . 16661 1 207 . 1 1 54 54 ILE CA C 13 65.81 0.1 . 1 . . . . 70 ILE CA . 16661 1 208 . 1 1 54 54 ILE CB C 13 38.02 0.1 . 1 . . . . 70 ILE CB . 16661 1 209 . 1 1 54 54 ILE N N 15 119.65 0.1 . 1 . . . . 70 ILE N . 16661 1 210 . 1 1 55 55 SER H H 1 8.44 0.1 . 1 . . . . 71 SER H . 16661 1 211 . 1 1 55 55 SER CA C 13 61.20 0.1 . 1 . . . . 71 SER CA . 16661 1 212 . 1 1 55 55 SER CB C 13 63.75 0.1 . 1 . . . . 71 SER CB . 16661 1 213 . 1 1 55 55 SER N N 15 113.70 0.1 . 1 . . . . 71 SER N . 16661 1 214 . 1 1 56 56 LYS H H 1 7.44 0.1 . 1 . . . . 72 LYS H . 16661 1 215 . 1 1 56 56 LYS CA C 13 58.52 0.1 . 1 . . . . 72 LYS CA . 16661 1 216 . 1 1 56 56 LYS CB C 13 32.68 0.1 . 1 . . . . 72 LYS CB . 16661 1 217 . 1 1 56 56 LYS N N 15 118.16 0.1 . 1 . . . . 72 LYS N . 16661 1 218 . 1 1 57 57 GLN H H 1 8.17 0.1 . 1 . . . . 73 GLN H . 16661 1 219 . 1 1 57 57 GLN CA C 13 58.06 0.1 . 1 . . . . 73 GLN CA . 16661 1 220 . 1 1 57 57 GLN CB C 13 28.87 0.1 . 1 . . . . 73 GLN CB . 16661 1 221 . 1 1 57 57 GLN N N 15 116.98 0.1 . 1 . . . . 73 GLN N . 16661 1 222 . 1 1 58 58 LEU H H 1 8.46 0.1 . 1 . . . . 74 LEU H . 16661 1 223 . 1 1 58 58 LEU CA C 13 54.02 0.1 . 1 . . . . 74 LEU CA . 16661 1 224 . 1 1 58 58 LEU CB C 13 41.31 0.1 . 1 . . . . 74 LEU CB . 16661 1 225 . 1 1 58 58 LEU N N 15 113.48 0.1 . 1 . . . . 74 LEU N . 16661 1 226 . 1 1 59 59 SER H H 1 7.69 0.1 . 1 . . . . 75 SER H . 16661 1 227 . 1 1 59 59 SER CA C 13 58.63 0.1 . 1 . . . . 75 SER CA . 16661 1 228 . 1 1 59 59 SER CB C 13 61.15 0.1 . 1 . . . . 75 SER CB . 16661 1 229 . 1 1 59 59 SER N N 15 114.30 0.1 . 1 . . . . 75 SER N . 16661 1 230 . 1 1 60 60 VAL H H 1 7.30 0.1 . 1 . . . . 76 VAL H . 16661 1 231 . 1 1 60 60 VAL CA C 13 58.79 0.1 . 1 . . . . 76 VAL CA . 16661 1 232 . 1 1 60 60 VAL CB C 13 35.15 0.1 . 1 . . . . 76 VAL CB . 16661 1 233 . 1 1 60 60 VAL N N 15 114.90 0.1 . 1 . . . . 76 VAL N . 16661 1 234 . 1 1 61 61 GLU H H 1 8.78 0.1 . 1 . . . . 77 GLU H . 16661 1 235 . 1 1 61 61 GLU CA C 13 57.20 0.1 . 1 . . . . 77 GLU CA . 16661 1 236 . 1 1 61 61 GLU CB C 13 29.73 0.1 . 1 . . . . 77 GLU CB . 16661 1 237 . 1 1 61 61 GLU N N 15 126.25 0.1 . 1 . . . . 77 GLU N . 16661 1 238 . 1 1 62 62 GLU H H 1 8.84 0.1 . 1 . . . . 78 GLU H . 16661 1 239 . 1 1 62 62 GLU CA C 13 60.59 0.1 . 1 . . . . 78 GLU CA . 16661 1 240 . 1 1 62 62 GLU CB C 13 29.86 0.1 . 1 . . . . 78 GLU CB . 16661 1 241 . 1 1 62 62 GLU N N 15 122.76 0.1 . 1 . . . . 78 GLU N . 16661 1 242 . 1 1 63 63 ASP H H 1 8.39 0.1 . 1 . . . . 79 ASP H . 16661 1 243 . 1 1 63 63 ASP CA C 13 55.54 0.1 . 1 . . . . 79 ASP CA . 16661 1 244 . 1 1 63 63 ASP CB C 13 39.86 0.1 . 1 . . . . 79 ASP CB . 16661 1 245 . 1 1 63 63 ASP N N 15 114.01 0.1 . 1 . . . . 79 ASP N . 16661 1 246 . 1 1 64 64 LYS H H 1 7.65 0.1 . 1 . . . . 80 LYS H . 16661 1 247 . 1 1 64 64 LYS CA C 13 55.86 0.1 . 1 . . . . 80 LYS CA . 16661 1 248 . 1 1 64 64 LYS CB C 13 32.50 0.1 . 1 . . . . 80 LYS CB . 16661 1 249 . 1 1 64 64 LYS N N 15 117.30 0.1 . 1 . . . . 80 LYS N . 16661 1 250 . 1 1 65 65 ILE H H 1 7.40 0.1 . 1 . . . . 81 ILE H . 16661 1 251 . 1 1 65 65 ILE CA C 13 62.50 0.1 . 1 . . . . 81 ILE CA . 16661 1 252 . 1 1 65 65 ILE CB C 13 37.95 0.1 . 1 . . . . 81 ILE CB . 16661 1 253 . 1 1 65 65 ILE N N 15 119.87 0.1 . 1 . . . . 81 ILE N . 16661 1 254 . 1 1 66 66 GLN H H 1 8.81 0.1 . 1 . . . . 82 GLN H . 16661 1 255 . 1 1 66 66 GLN CA C 13 53.04 0.1 . 1 . . . . 82 GLN CA . 16661 1 256 . 1 1 66 66 GLN CB C 13 31.01 0.1 . 1 . . . . 82 GLN CB . 16661 1 257 . 1 1 66 66 GLN N N 15 125.05 0.1 . 1 . . . . 82 GLN N . 16661 1 258 . 1 1 67 67 MET H H 1 8.85 0.1 . 1 . . . . 83 MET H . 16661 1 259 . 1 1 67 67 MET CA C 13 58.65 0.1 . 1 . . . . 83 MET CA . 16661 1 260 . 1 1 67 67 MET CB C 13 31.57 0.1 . 1 . . . . 83 MET CB . 16661 1 261 . 1 1 67 67 MET N N 15 120.16 0.1 . 1 . . . . 83 MET N . 16661 1 262 . 1 1 68 68 ASN H H 1 7.73 0.1 . 1 . . . . 84 ASN H . 16661 1 263 . 1 1 68 68 ASN CA C 13 51.54 0.1 . 1 . . . . 84 ASN CA . 16661 1 264 . 1 1 68 68 ASN CB C 13 37.81 0.1 . 1 . . . . 84 ASN CB . 16661 1 265 . 1 1 68 68 ASN N N 15 109.26 0.1 . 1 . . . . 84 ASN N . 16661 1 266 . 1 1 69 69 SER H H 1 7.63 0.1 . 1 . . . . 85 SER H . 16661 1 267 . 1 1 69 69 SER CA C 13 61.33 0.1 . 1 . . . . 85 SER CA . 16661 1 268 . 1 1 69 69 SER CB C 13 63.25 0.1 . 1 . . . . 85 SER CB . 16661 1 269 . 1 1 69 69 SER N N 15 117.12 0.1 . 1 . . . . 85 SER N . 16661 1 270 . 1 1 70 70 ASN H H 1 10.30 0.1 . 1 . . . . 86 ASN H . 16661 1 271 . 1 1 70 70 ASN CA C 13 52.36 0.1 . 1 . . . . 86 ASN CA . 16661 1 272 . 1 1 70 70 ASN CB C 13 40.70 0.1 . 1 . . . . 86 ASN CB . 16661 1 273 . 1 1 70 70 ASN N N 15 126.01 0.1 . 1 . . . . 86 ASN N . 16661 1 274 . 1 1 71 71 PHE H H 1 7.82 0.1 . 1 . . . . 87 PHE H . 16661 1 275 . 1 1 71 71 PHE CA C 13 62.27 0.1 . 1 . . . . 87 PHE CA . 16661 1 276 . 1 1 71 71 PHE CB C 13 38.65 0.1 . 1 . . . . 87 PHE CB . 16661 1 277 . 1 1 71 71 PHE N N 15 125.51 0.1 . 1 . . . . 87 PHE N . 16661 1 278 . 1 1 72 72 THR H H 1 8.52 0.1 . 1 . . . . 88 THR H . 16661 1 279 . 1 1 72 72 THR CA C 13 64.12 0.1 . 1 . . . . 88 THR CA . 16661 1 280 . 1 1 72 72 THR CB C 13 69.38 0.1 . 1 . . . . 88 THR CB . 16661 1 281 . 1 1 72 72 THR N N 15 110.37 0.1 . 1 . . . . 88 THR N . 16661 1 282 . 1 1 73 73 LYS H H 1 8.39 0.1 . 1 . . . . 89 LYS H . 16661 1 283 . 1 1 73 73 LYS CA C 13 58.79 0.1 . 1 . . . . 89 LYS CA . 16661 1 284 . 1 1 73 73 LYS CB C 13 33.41 0.1 . 1 . . . . 89 LYS CB . 16661 1 285 . 1 1 73 73 LYS N N 15 121.12 0.1 . 1 . . . . 89 LYS N . 16661 1 286 . 1 1 74 74 ASP H H 1 8.19 0.1 . 1 . . . . 90 ASP H . 16661 1 287 . 1 1 74 74 ASP CA C 13 56.02 0.1 . 1 . . . . 90 ASP CA . 16661 1 288 . 1 1 74 74 ASP CB C 13 42.47 0.1 . 1 . . . . 90 ASP CB . 16661 1 289 . 1 1 74 74 ASP N N 15 113.33 0.1 . 1 . . . . 90 ASP N . 16661 1 290 . 1 1 75 75 LEU H H 1 7.00 0.1 . 1 . . . . 91 LEU H . 16661 1 291 . 1 1 75 75 LEU CA C 13 54.06 0.1 . 1 . . . . 91 LEU CA . 16661 1 292 . 1 1 75 75 LEU CB C 13 42.20 0.1 . 1 . . . . 91 LEU CB . 16661 1 293 . 1 1 75 75 LEU N N 15 114.37 0.1 . 1 . . . . 91 LEU N . 16661 1 294 . 1 1 76 76 GLY H H 1 7.32 0.1 . 1 . . . . 92 GLY H . 16661 1 295 . 1 1 76 76 GLY CA C 13 46.61 0.1 . 1 . . . . 92 GLY CA . 16661 1 296 . 1 1 76 76 GLY N N 15 105.76 0.1 . 1 . . . . 92 GLY N . 16661 1 297 . 1 1 77 77 ALA H H 1 8.32 0.1 . 1 . . . . 93 ALA H . 16661 1 298 . 1 1 77 77 ALA CA C 13 52.22 0.1 . 1 . . . . 93 ALA CA . 16661 1 299 . 1 1 77 77 ALA CB C 13 19.71 0.1 . 1 . . . . 93 ALA CB . 16661 1 300 . 1 1 77 77 ALA N N 15 122.55 0.1 . 1 . . . . 93 ALA N . 16661 1 301 . 1 1 78 78 ASP H H 1 9.31 0.1 . 1 . . . . 94 ASP H . 16661 1 302 . 1 1 78 78 ASP CA C 13 51.84 0.1 . 1 . . . . 94 ASP CA . 16661 1 303 . 1 1 78 78 ASP CB C 13 41.74 0.1 . 1 . . . . 94 ASP CB . 16661 1 304 . 1 1 78 78 ASP N N 15 123.43 0.1 . 1 . . . . 94 ASP N . 16661 1 305 . 1 1 79 79 SER H H 1 8.64 0.1 . 1 . . . . 95 SER H . 16661 1 306 . 1 1 79 79 SER CA C 13 60.86 0.1 . 1 . . . . 95 SER CA . 16661 1 307 . 1 1 79 79 SER CB C 13 65.55 0.1 . 1 . . . . 95 SER CB . 16661 1 308 . 1 1 79 79 SER N N 15 111.77 0.1 . 1 . . . . 95 SER N . 16661 1 309 . 1 1 80 80 LEU H H 1 7.82 0.1 . 1 . . . . 96 LEU H . 16661 1 310 . 1 1 80 80 LEU CA C 13 57.81 0.1 . 1 . . . . 96 LEU CA . 16661 1 311 . 1 1 80 80 LEU CB C 13 40.75 0.1 . 1 . . . . 96 LEU CB . 16661 1 312 . 1 1 80 80 LEU N N 15 124.16 0.1 . 1 . . . . 96 LEU N . 16661 1 313 . 1 1 81 81 ASP H H 1 8.42 0.1 . 1 . . . . 97 ASP H . 16661 1 314 . 1 1 81 81 ASP CA C 13 57.33 0.1 . 1 . . . . 97 ASP CA . 16661 1 315 . 1 1 81 81 ASP CB C 13 41.52 0.1 . 1 . . . . 97 ASP CB . 16661 1 316 . 1 1 81 81 ASP N N 15 119.94 0.1 . 1 . . . . 97 ASP N . 16661 1 317 . 1 1 82 82 LEU H H 1 7.94 0.1 . 1 . . . . 98 LEU H . 16661 1 318 . 1 1 82 82 LEU CA C 13 58.04 0.1 . 1 . . . . 98 LEU CA . 16661 1 319 . 1 1 82 82 LEU CB C 13 41.00 0.1 . 1 . . . . 98 LEU CB . 16661 1 320 . 1 1 82 82 LEU N N 15 117.79 0.1 . 1 . . . . 98 LEU N . 16661 1 321 . 1 1 83 83 VAL H H 1 7.32 0.1 . 1 . . . . 99 VAL H . 16661 1 322 . 1 1 83 83 VAL CA C 13 66.73 0.1 . 1 . . . . 99 VAL CA . 16661 1 323 . 1 1 83 83 VAL CB C 13 31.79 0.1 . 1 . . . . 99 VAL CB . 16661 1 324 . 1 1 83 83 VAL N N 15 118.68 0.1 . 1 . . . . 99 VAL N . 16661 1 325 . 1 1 84 84 GLU H H 1 7.84 0.1 . 1 . . . . 100 GLU H . 16661 1 326 . 1 1 84 84 GLU CA C 13 59.56 0.1 . 1 . . . . 100 GLU CA . 16661 1 327 . 1 1 84 84 GLU CB C 13 28.70 0.1 . 1 . . . . 100 GLU CB . 16661 1 328 . 1 1 84 84 GLU N N 15 118.61 0.1 . 1 . . . . 100 GLU N . 16661 1 329 . 1 1 85 85 LEU H H 1 8.64 0.1 . 1 . . . . 101 LEU H . 16661 1 330 . 1 1 85 85 LEU CA C 13 58.25 0.1 . 1 . . . . 101 LEU CA . 16661 1 331 . 1 1 85 85 LEU CB C 13 41.93 0.1 . 1 . . . . 101 LEU CB . 16661 1 332 . 1 1 85 85 LEU N N 15 122.69 0.1 . 1 . . . . 101 LEU N . 16661 1 333 . 1 1 86 86 ILE H H 1 8.22 0.1 . 1 . . . . 102 ILE H . 16661 1 334 . 1 1 86 86 ILE CA C 13 64.50 0.1 . 1 . . . . 102 ILE CA . 16661 1 335 . 1 1 86 86 ILE CB C 13 35.81 0.1 . 1 . . . . 102 ILE CB . 16661 1 336 . 1 1 86 86 ILE N N 15 119.72 0.1 . 1 . . . . 102 ILE N . 16661 1 337 . 1 1 87 87 MET H H 1 7.82 0.1 . 1 . . . . 103 MET H . 16661 1 338 . 1 1 87 87 MET CA C 13 59.43 0.1 . 1 . . . . 103 MET CA . 16661 1 339 . 1 1 87 87 MET CB C 13 33.04 0.1 . 1 . . . . 103 MET CB . 16661 1 340 . 1 1 87 87 MET N N 15 117.56 0.1 . 1 . . . . 103 MET N . 16661 1 341 . 1 1 88 88 ALA H H 1 7.96 0.1 . 1 . . . . 104 ALA H . 16661 1 342 . 1 1 88 88 ALA CA C 13 55.00 0.1 . 1 . . . . 104 ALA CA . 16661 1 343 . 1 1 88 88 ALA CB C 13 18.62 0.1 . 1 . . . . 104 ALA CB . 16661 1 344 . 1 1 88 88 ALA N N 15 122.01 0.1 . 1 . . . . 104 ALA N . 16661 1 345 . 1 1 89 89 LEU H H 1 8.52 0.1 . 1 . . . . 105 LEU H . 16661 1 346 . 1 1 89 89 LEU CA C 13 58.25 0.1 . 1 . . . . 105 LEU CA . 16661 1 347 . 1 1 89 89 LEU CB C 13 41.75 0.1 . 1 . . . . 105 LEU CB . 16661 1 348 . 1 1 89 89 LEU N N 15 119.87 0.1 . 1 . . . . 105 LEU N . 16661 1 349 . 1 1 90 90 GLU H H 1 8.47 0.1 . 1 . . . . 106 GLU H . 16661 1 350 . 1 1 90 90 GLU CA C 13 60.06 0.1 . 1 . . . . 106 GLU CA . 16661 1 351 . 1 1 90 90 GLU CB C 13 30.07 0.1 . 1 . . . . 106 GLU CB . 16661 1 352 . 1 1 90 90 GLU N N 15 118.54 0.1 . 1 . . . . 106 GLU N . 16661 1 353 . 1 1 91 91 GLU H H 1 7.84 0.1 . 1 . . . . 107 GLU H . 16661 1 354 . 1 1 91 91 GLU CA C 13 58.68 0.1 . 1 . . . . 107 GLU CA . 16661 1 355 . 1 1 91 91 GLU CB C 13 30.04 0.1 . 1 . . . . 107 GLU CB . 16661 1 356 . 1 1 91 91 GLU N N 15 116.83 0.1 . 1 . . . . 107 GLU N . 16661 1 357 . 1 1 92 92 LYS H H 1 8.00 0.1 . 1 . . . . 108 LYS H . 16661 1 358 . 1 1 92 92 LYS CA C 13 57.50 0.1 . 1 . . . . 108 LYS CA . 16661 1 359 . 1 1 92 92 LYS CB C 13 32.15 0.1 . 1 . . . . 108 LYS CB . 16661 1 360 . 1 1 92 92 LYS N N 15 117.72 0.1 . 1 . . . . 108 LYS N . 16661 1 361 . 1 1 93 93 PHE H H 1 8.03 0.1 . 1 . . . . 109 PHE H . 16661 1 362 . 1 1 93 93 PHE CA C 13 58.50 0.1 . 1 . . . . 109 PHE CA . 16661 1 363 . 1 1 93 93 PHE CB C 13 39.22 0.1 . 1 . . . . 109 PHE CB . 16661 1 364 . 1 1 93 93 PHE N N 15 112.16 0.1 . 1 . . . . 109 PHE N . 16661 1 365 . 1 1 94 94 ASN H H 1 7.84 0.1 . 1 . . . . 110 ASN H . 16661 1 366 . 1 1 94 94 ASN CA C 13 54.45 0.1 . 1 . . . . 110 ASN CA . 16661 1 367 . 1 1 94 94 ASN CB C 13 37.00 0.1 . 1 . . . . 110 ASN CB . 16661 1 368 . 1 1 94 94 ASN N N 15 118.16 0.1 . 1 . . . . 110 ASN N . 16661 1 369 . 1 1 95 95 VAL H H 1 7.59 0.1 . 1 . . . . 111 VAL H . 16661 1 370 . 1 1 95 95 VAL CA C 13 58.72 0.1 . 1 . . . . 111 VAL CA . 16661 1 371 . 1 1 95 95 VAL CB C 13 35.58 0.1 . 1 . . . . 111 VAL CB . 16661 1 372 . 1 1 95 95 VAL N N 15 109.62 0.1 . 1 . . . . 111 VAL N . 16661 1 373 . 1 1 96 96 THR H H 1 8.47 0.1 . 1 . . . . 112 THR H . 16661 1 374 . 1 1 96 96 THR CA C 13 61.52 0.1 . 1 . . . . 112 THR CA . 16661 1 375 . 1 1 96 96 THR CB C 13 70.36 0.1 . 1 . . . . 112 THR CB . 16661 1 376 . 1 1 96 96 THR N N 15 117.05 0.1 . 1 . . . . 112 THR N . 16661 1 377 . 1 1 97 97 ILE H H 1 9.61 0.1 . 1 . . . . 113 ILE H . 16661 1 378 . 1 1 97 97 ILE CA C 13 60.77 0.1 . 1 . . . . 113 ILE CA . 16661 1 379 . 1 1 97 97 ILE CB C 13 38.22 0.1 . 1 . . . . 113 ILE CB . 16661 1 380 . 1 1 97 97 ILE N N 15 129.49 0.1 . 1 . . . . 113 ILE N . 16661 1 381 . 1 1 98 98 SER H H 1 9.10 0.1 . 1 . . . . 114 SER H . 16661 1 382 . 1 1 98 98 SER CA C 13 57.86 0.1 . 1 . . . . 114 SER CA . 16661 1 383 . 1 1 98 98 SER CB C 13 64.90 0.1 . 1 . . . . 114 SER CB . 16661 1 384 . 1 1 98 98 SER N N 15 125.20 0.1 . 1 . . . . 114 SER N . 16661 1 385 . 1 1 99 99 ASP H H 1 8.89 0.1 . 1 . . . . 115 ASP H . 16661 1 386 . 1 1 99 99 ASP CA C 13 57.77 0.1 . 1 . . . . 115 ASP CA . 16661 1 387 . 1 1 99 99 ASP CB C 13 39.59 0.1 . 1 . . . . 115 ASP CB . 16661 1 388 . 1 1 99 99 ASP N N 15 121.50 0.1 . 1 . . . . 115 ASP N . 16661 1 389 . 1 1 100 100 GLN H H 1 8.17 0.1 . 1 . . . . 116 GLN H . 16661 1 390 . 1 1 100 100 GLN CA C 13 58.79 0.1 . 1 . . . . 116 GLN CA . 16661 1 391 . 1 1 100 100 GLN CB C 13 28.36 0.1 . 1 . . . . 116 GLN CB . 16661 1 392 . 1 1 100 100 GLN N N 15 116.61 0.1 . 1 . . . . 116 GLN N . 16661 1 393 . 1 1 101 101 ASP H H 1 7.73 0.1 . 1 . . . . 117 ASP H . 16661 1 394 . 1 1 101 101 ASP CA C 13 56.93 0.1 . 1 . . . . 117 ASP CA . 16661 1 395 . 1 1 101 101 ASP CB C 13 40.27 0.1 . 1 . . . . 117 ASP CB . 16661 1 396 . 1 1 101 101 ASP N N 15 120.69 0.1 . 1 . . . . 117 ASP N . 16661 1 397 . 1 1 102 102 ALA H H 1 8.50 0.1 . 1 . . . . 118 ALA H . 16661 1 398 . 1 1 102 102 ALA CA C 13 55.20 0.1 . 1 . . . . 118 ALA CA . 16661 1 399 . 1 1 102 102 ALA CB C 13 18.14 0.1 . 1 . . . . 118 ALA CB . 16661 1 400 . 1 1 102 102 ALA N N 15 122.47 0.1 . 1 . . . . 118 ALA N . 16661 1 401 . 1 1 103 103 LEU H H 1 7.03 0.1 . 1 . . . . 119 LEU H . 16661 1 402 . 1 1 103 103 LEU CA C 13 56.52 0.1 . 1 . . . . 119 LEU CA . 16661 1 403 . 1 1 103 103 LEU CB C 13 42.22 0.1 . 1 . . . . 119 LEU CB . 16661 1 404 . 1 1 103 103 LEU N N 15 114.59 0.1 . 1 . . . . 119 LEU N . 16661 1 405 . 1 1 104 104 LYS H H 1 7.25 0.1 . 1 . . . . 120 LYS H . 16661 1 406 . 1 1 104 104 LYS CA C 13 55.54 0.1 . 1 . . . . 120 LYS CA . 16661 1 407 . 1 1 104 104 LYS CB C 13 32.43 0.1 . 1 . . . . 120 LYS CB . 16661 1 408 . 1 1 104 104 LYS N N 15 115.26 0.1 . 1 . . . . 120 LYS N . 16661 1 409 . 1 1 105 105 ILE H H 1 7.28 0.1 . 1 . . . . 121 ILE H . 16661 1 410 . 1 1 105 105 ILE CA C 13 61.02 0.1 . 1 . . . . 121 ILE CA . 16661 1 411 . 1 1 105 105 ILE CB C 13 36.63 0.1 . 1 . . . . 121 ILE CB . 16661 1 412 . 1 1 105 105 ILE N N 15 121.43 0.1 . 1 . . . . 121 ILE N . 16661 1 413 . 1 1 106 106 ASN H H 1 9.09 0.1 . 1 . . . . 122 ASN H . 16661 1 414 . 1 1 106 106 ASN CA C 13 54.50 0.1 . 1 . . . . 122 ASN CA . 16661 1 415 . 1 1 106 106 ASN CB C 13 41.77 0.1 . 1 . . . . 122 ASN CB . 16661 1 416 . 1 1 106 106 ASN N N 15 123.51 0.1 . 1 . . . . 122 ASN N . 16661 1 417 . 1 1 107 107 THR H H 1 8.32 0.1 . 1 . . . . 123 THR H . 16661 1 418 . 1 1 107 107 THR CA C 13 58.20 0.1 . 1 . . . . 123 THR CA . 16661 1 419 . 1 1 107 107 THR CB C 13 73.69 0.1 . 1 . . . . 123 THR CB . 16661 1 420 . 1 1 107 107 THR N N 15 110.59 0.1 . 1 . . . . 123 THR N . 16661 1 421 . 1 1 108 108 VAL H H 1 7.73 0.1 . 1 . . . . 124 VAL H . 16661 1 422 . 1 1 108 108 VAL CA C 13 67.55 0.1 . 1 . . . . 124 VAL CA . 16661 1 423 . 1 1 108 108 VAL CB C 13 30.52 0.1 . 1 . . . . 124 VAL CB . 16661 1 424 . 1 1 108 108 VAL N N 15 120.76 0.1 . 1 . . . . 124 VAL N . 16661 1 425 . 1 1 109 109 GLN H H 1 8.56 0.1 . 1 . . . . 125 GLN H . 16661 1 426 . 1 1 109 109 GLN CA C 13 58.97 0.1 . 1 . . . . 125 GLN CA . 16661 1 427 . 1 1 109 109 GLN CB C 13 28.29 0.1 . 1 . . . . 125 GLN CB . 16661 1 428 . 1 1 109 109 GLN N N 15 119.87 0.1 . 1 . . . . 125 GLN N . 16661 1 429 . 1 1 110 110 ASP H H 1 7.80 0.1 . 1 . . . . 126 ASP H . 16661 1 430 . 1 1 110 110 ASP CA C 13 57.34 0.1 . 1 . . . . 126 ASP CA . 16661 1 431 . 1 1 110 110 ASP CB C 13 41.72 0.1 . 1 . . . . 126 ASP CB . 16661 1 432 . 1 1 110 110 ASP N N 15 118.61 0.1 . 1 . . . . 126 ASP N . 16661 1 433 . 1 1 111 111 ALA H H 1 7.94 0.1 . 1 . . . . 127 ALA H . 16661 1 434 . 1 1 111 111 ALA CA C 13 55.54 0.1 . 1 . . . . 127 ALA CA . 16661 1 435 . 1 1 111 111 ALA CB C 13 17.84 0.1 . 1 . . . . 127 ALA CB . 16661 1 436 . 1 1 111 111 ALA N N 15 123.43 0.1 . 1 . . . . 127 ALA N . 16661 1 437 . 1 1 112 112 ILE H H 1 8.39 0.1 . 1 . . . . 128 ILE H . 16661 1 438 . 1 1 112 112 ILE CA C 13 66.00 0.1 . 1 . . . . 128 ILE CA . 16661 1 439 . 1 1 112 112 ILE CB C 13 37.63 0.1 . 1 . . . . 128 ILE CB . 16661 1 440 . 1 1 112 112 ILE N N 15 119.12 0.1 . 1 . . . . 128 ILE N . 16661 1 441 . 1 1 113 113 ASP H H 1 8.82 0.1 . 1 . . . . 129 ASP H . 16661 1 442 . 1 1 113 113 ASP CA C 13 57.34 0.1 . 1 . . . . 129 ASP CA . 16661 1 443 . 1 1 113 113 ASP CB C 13 40.20 0.1 . 1 . . . . 129 ASP CB . 16661 1 444 . 1 1 113 113 ASP N N 15 119.19 0.1 . 1 . . . . 129 ASP N . 16661 1 445 . 1 1 114 114 TYR H H 1 7.88 0.1 . 1 . . . . 130 TYR H . 16661 1 446 . 1 1 114 114 TYR CA C 13 62.61 0.1 . 1 . . . . 130 TYR CA . 16661 1 447 . 1 1 114 114 TYR CB C 13 38.61 0.1 . 1 . . . . 130 TYR CB . 16661 1 448 . 1 1 114 114 TYR N N 15 119.65 0.1 . 1 . . . . 130 TYR N . 16661 1 449 . 1 1 115 115 ILE H H 1 8.22 0.1 . 1 . . . . 131 ILE H . 16661 1 450 . 1 1 115 115 ILE CA C 13 64.40 0.1 . 1 . . . . 131 ILE CA . 16661 1 451 . 1 1 115 115 ILE CB C 13 37.11 0.1 . 1 . . . . 131 ILE CB . 16661 1 452 . 1 1 115 115 ILE N N 15 120.54 0.1 . 1 . . . . 131 ILE N . 16661 1 453 . 1 1 116 116 GLU H H 1 8.65 0.1 . 1 . . . . 132 GLU H . 16661 1 454 . 1 1 116 116 GLU CA C 13 58.91 0.1 . 1 . . . . 132 GLU CA . 16661 1 455 . 1 1 116 116 GLU CB C 13 29.29 0.1 . 1 . . . . 132 GLU CB . 16661 1 456 . 1 1 116 116 GLU N N 15 117.87 0.1 . 1 . . . . 132 GLU N . 16661 1 457 . 1 1 117 117 LYS H H 1 7.65 0.1 . 1 . . . . 133 LYS H . 16661 1 458 . 1 1 117 117 LYS CA C 13 58.09 0.1 . 1 . . . . 133 LYS CA . 16661 1 459 . 1 1 117 117 LYS CB C 13 32.68 0.1 . 1 . . . . 133 LYS CB . 16661 1 460 . 1 1 117 117 LYS N N 15 117.19 0.1 . 1 . . . . 133 LYS N . 16661 1 461 . 1 1 118 118 ASN H H 1 7.55 0.1 . 1 . . . . 134 ASN H . 16661 1 462 . 1 1 118 118 ASN CA C 13 54.45 0.1 . 1 . . . . 134 ASN CA . 16661 1 463 . 1 1 118 118 ASN CB C 13 39.86 0.1 . 1 . . . . 134 ASN CB . 16661 1 464 . 1 1 118 118 ASN N N 15 116.08 0.1 . 1 . . . . 134 ASN N . 16661 1 465 . 1 1 119 119 ASN H H 1 8.02 0.1 . 1 . . . . 135 ASN H . 16661 1 466 . 1 1 119 119 ASN CA C 13 53.58 0.1 . 1 . . . . 135 ASN CA . 16661 1 467 . 1 1 119 119 ASN CB C 13 38.72 0.1 . 1 . . . . 135 ASN CB . 16661 1 468 . 1 1 119 119 ASN N N 15 119.12 0.1 . 1 . . . . 135 ASN N . 16661 1 469 . 1 1 120 120 LYS H H 1 8.11 0.1 . 1 . . . . 136 LYS H . 16661 1 470 . 1 1 120 120 LYS CA C 13 56.18 0.1 . 1 . . . . 136 LYS CA . 16661 1 471 . 1 1 120 120 LYS CB C 13 32.84 0.1 . 1 . . . . 136 LYS CB . 16661 1 472 . 1 1 120 120 LYS N N 15 122.23 0.1 . 1 . . . . 136 LYS N . 16661 1 473 . 1 1 121 121 GLN H H 1 8.01 0.1 . 1 . . . . 137 GLN H . 16661 1 474 . 1 1 121 121 GLN CA C 13 57.50 0.1 . 1 . . . . 137 GLN CA . 16661 1 475 . 1 1 121 121 GLN CB C 13 30.29 0.1 . 1 . . . . 137 GLN CB . 16661 1 476 . 1 1 121 121 GLN N N 15 126.47 0.1 . 1 . . . . 137 GLN N . 16661 1 stop_ save_