data_18031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18031 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the ribosoaml assembly factor Fap7 from Pyrococcus horikoshii in its AP5A bound form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-31 _Entry.Accession_date 2011-10-31 _Entry.Last_release_date 2012-11-09 _Entry.Original_release_date 2012-11-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ute Hellmich . A. . 18031 2 Elke Duchardt-Ferner . . . 18031 3 Jens Woehnert . . . 18031 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Biomolecular Magnetic Resonance (BMRZ)' . 18031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 319 18031 '15N chemical shifts' 155 18031 '1H chemical shifts' 155 18031 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 . . 2012-11-09 2011-10-31 original author . 18031 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18030 'Fap7 monomer' 18031 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18031 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 15N, 13C Assigned Backbone Chemical Shifts for Fap7 in the AP5A-bound form' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ute Hellmich . A. . 18031 1 2 Elke Duchardt-Ferner . . . 18031 1 3 Jens Woehnert . . . 18031 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AP5A 18031 1 Fap7 18031 1 'ribosomal assembly factor' 18031 1 'triple resonance' 18031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18031 _Assembly.ID 1 _Assembly.Name Fap7 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 21094.5 _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 Fap7 1 $Fap7 A . yes native no no . . . 18031 1 2 AP5A 2 $AP5 B . no native no no . . . 18031 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'presumed ribosomal assembly factor' 18031 1 'putative involvement in oxidative stress' 18031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fap7 _Entity.Sf_category entity _Entity.Sf_framecode Fap7 _Entity.Entry_ID 18031 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fap7 _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 ; MLIAITGTPGVGKTTVAKLL AKKLNYEYVSLKDFALEKGC GRRVNDEVEVEIDELAYFIE RELKGKNAVLDGHLSHLMPV DLVVVLRAHPKLIGERLRER GYDREKIGENVEAELVDAVL IEAIEEHENVIEVDTTNKSP EDVVEEIVSLINSGIKKRVG IVDWSEVYDEIIPYLRLGGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 180 _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 20178.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA30356 . "180aa long hypothetical protein [Pyrococcus horikoshii OT3]" . . . . . 100.00 180 100.00 100.00 3.80e-121 . . . . 18031 1 2 no REF WP_010885344 . "kinase [Pyrococcus horikoshii]" . . . . . 100.00 180 100.00 100.00 3.80e-121 . . . . 18031 1 3 no SP O58998 . "RecName: Full=Putative adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase" . . . . . 100.00 180 100.00 100.00 3.80e-121 . . . . 18031 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'presumed ribosomal assembly factor' 18031 1 'putative involvement in oxidative stress' 18031 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 . 18031 1 2 . LEU . 18031 1 3 . ILE . 18031 1 4 . ALA . 18031 1 5 . ILE . 18031 1 6 . THR . 18031 1 7 . GLY . 18031 1 8 . THR . 18031 1 9 . PRO . 18031 1 10 . GLY . 18031 1 11 . VAL . 18031 1 12 . GLY . 18031 1 13 . LYS . 18031 1 14 . THR . 18031 1 15 . THR . 18031 1 16 . VAL . 18031 1 17 . ALA . 18031 1 18 . LYS . 18031 1 19 . LEU . 18031 1 20 . LEU . 18031 1 21 . ALA . 18031 1 22 . LYS . 18031 1 23 . LYS . 18031 1 24 . LEU . 18031 1 25 . ASN . 18031 1 26 . TYR . 18031 1 27 . GLU . 18031 1 28 . TYR . 18031 1 29 . VAL . 18031 1 30 . SER . 18031 1 31 . LEU . 18031 1 32 . LYS . 18031 1 33 . ASP . 18031 1 34 . PHE . 18031 1 35 . ALA . 18031 1 36 . LEU . 18031 1 37 . GLU . 18031 1 38 . LYS . 18031 1 39 . GLY . 18031 1 40 . CYS . 18031 1 41 . GLY . 18031 1 42 . ARG . 18031 1 43 . ARG . 18031 1 44 . VAL . 18031 1 45 . ASN . 18031 1 46 . ASP . 18031 1 47 . GLU . 18031 1 48 . VAL . 18031 1 49 . GLU . 18031 1 50 . VAL . 18031 1 51 . GLU . 18031 1 52 . ILE . 18031 1 53 . ASP . 18031 1 54 . GLU . 18031 1 55 . LEU . 18031 1 56 . ALA . 18031 1 57 . TYR . 18031 1 58 . PHE . 18031 1 59 . ILE . 18031 1 60 . GLU . 18031 1 61 . ARG . 18031 1 62 . GLU . 18031 1 63 . LEU . 18031 1 64 . LYS . 18031 1 65 . GLY . 18031 1 66 . LYS . 18031 1 67 . ASN . 18031 1 68 . ALA . 18031 1 69 . VAL . 18031 1 70 . LEU . 18031 1 71 . ASP . 18031 1 72 . GLY . 18031 1 73 . HIS . 18031 1 74 . LEU . 18031 1 75 . SER . 18031 1 76 . HIS . 18031 1 77 . LEU . 18031 1 78 . MET . 18031 1 79 . PRO . 18031 1 80 . VAL . 18031 1 81 . ASP . 18031 1 82 . LEU . 18031 1 83 . VAL . 18031 1 84 . VAL . 18031 1 85 . VAL . 18031 1 86 . LEU . 18031 1 87 . ARG . 18031 1 88 . ALA . 18031 1 89 . HIS . 18031 1 90 . PRO . 18031 1 91 . LYS . 18031 1 92 . LEU . 18031 1 93 . ILE . 18031 1 94 . GLY . 18031 1 95 . GLU . 18031 1 96 . ARG . 18031 1 97 . LEU . 18031 1 98 . ARG . 18031 1 99 . GLU . 18031 1 100 . ARG . 18031 1 101 . GLY . 18031 1 102 . TYR . 18031 1 103 . ASP . 18031 1 104 . ARG . 18031 1 105 . GLU . 18031 1 106 . LYS . 18031 1 107 . ILE . 18031 1 108 . GLY . 18031 1 109 . GLU . 18031 1 110 . ASN . 18031 1 111 . VAL . 18031 1 112 . GLU . 18031 1 113 . ALA . 18031 1 114 . GLU . 18031 1 115 . LEU . 18031 1 116 . VAL . 18031 1 117 . ASP . 18031 1 118 . ALA . 18031 1 119 . VAL . 18031 1 120 . LEU . 18031 1 121 . ILE . 18031 1 122 . GLU . 18031 1 123 . ALA . 18031 1 124 . ILE . 18031 1 125 . GLU . 18031 1 126 . GLU . 18031 1 127 . HIS . 18031 1 128 . GLU . 18031 1 129 . ASN . 18031 1 130 . VAL . 18031 1 131 . ILE . 18031 1 132 . GLU . 18031 1 133 . VAL . 18031 1 134 . ASP . 18031 1 135 . THR . 18031 1 136 . THR . 18031 1 137 . ASN . 18031 1 138 . LYS . 18031 1 139 . SER . 18031 1 140 . PRO . 18031 1 141 . GLU . 18031 1 142 . ASP . 18031 1 143 . VAL . 18031 1 144 . VAL . 18031 1 145 . GLU . 18031 1 146 . GLU . 18031 1 147 . ILE . 18031 1 148 . VAL . 18031 1 149 . SER . 18031 1 150 . LEU . 18031 1 151 . ILE . 18031 1 152 . ASN . 18031 1 153 . SER . 18031 1 154 . GLY . 18031 1 155 . ILE . 18031 1 156 . LYS . 18031 1 157 . LYS . 18031 1 158 . ARG . 18031 1 159 . VAL . 18031 1 160 . GLY . 18031 1 161 . ILE . 18031 1 162 . VAL . 18031 1 163 . ASP . 18031 1 164 . TRP . 18031 1 165 . SER . 18031 1 166 . GLU . 18031 1 167 . VAL . 18031 1 168 . TYR . 18031 1 169 . ASP . 18031 1 170 . GLU . 18031 1 171 . ILE . 18031 1 172 . ILE . 18031 1 173 . PRO . 18031 1 174 . TYR . 18031 1 175 . LEU . 18031 1 176 . ARG . 18031 1 177 . LEU . 18031 1 178 . GLY . 18031 1 179 . GLY . 18031 1 180 . GLU . 18031 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 18031 1 . LEU 2 2 18031 1 . ILE 3 3 18031 1 . ALA 4 4 18031 1 . ILE 5 5 18031 1 . THR 6 6 18031 1 . GLY 7 7 18031 1 . THR 8 8 18031 1 . PRO 9 9 18031 1 . GLY 10 10 18031 1 . VAL 11 11 18031 1 . GLY 12 12 18031 1 . LYS 13 13 18031 1 . THR 14 14 18031 1 . THR 15 15 18031 1 . VAL 16 16 18031 1 . ALA 17 17 18031 1 . LYS 18 18 18031 1 . LEU 19 19 18031 1 . LEU 20 20 18031 1 . ALA 21 21 18031 1 . LYS 22 22 18031 1 . LYS 23 23 18031 1 . LEU 24 24 18031 1 . ASN 25 25 18031 1 . TYR 26 26 18031 1 . GLU 27 27 18031 1 . TYR 28 28 18031 1 . VAL 29 29 18031 1 . SER 30 30 18031 1 . LEU 31 31 18031 1 . LYS 32 32 18031 1 . ASP 33 33 18031 1 . PHE 34 34 18031 1 . ALA 35 35 18031 1 . LEU 36 36 18031 1 . GLU 37 37 18031 1 . LYS 38 38 18031 1 . GLY 39 39 18031 1 . CYS 40 40 18031 1 . GLY 41 41 18031 1 . ARG 42 42 18031 1 . ARG 43 43 18031 1 . VAL 44 44 18031 1 . ASN 45 45 18031 1 . ASP 46 46 18031 1 . GLU 47 47 18031 1 . VAL 48 48 18031 1 . GLU 49 49 18031 1 . VAL 50 50 18031 1 . GLU 51 51 18031 1 . ILE 52 52 18031 1 . ASP 53 53 18031 1 . GLU 54 54 18031 1 . LEU 55 55 18031 1 . ALA 56 56 18031 1 . TYR 57 57 18031 1 . PHE 58 58 18031 1 . ILE 59 59 18031 1 . GLU 60 60 18031 1 . ARG 61 61 18031 1 . GLU 62 62 18031 1 . LEU 63 63 18031 1 . LYS 64 64 18031 1 . GLY 65 65 18031 1 . LYS 66 66 18031 1 . ASN 67 67 18031 1 . ALA 68 68 18031 1 . VAL 69 69 18031 1 . LEU 70 70 18031 1 . ASP 71 71 18031 1 . GLY 72 72 18031 1 . HIS 73 73 18031 1 . LEU 74 74 18031 1 . SER 75 75 18031 1 . HIS 76 76 18031 1 . LEU 77 77 18031 1 . MET 78 78 18031 1 . PRO 79 79 18031 1 . VAL 80 80 18031 1 . ASP 81 81 18031 1 . LEU 82 82 18031 1 . VAL 83 83 18031 1 . VAL 84 84 18031 1 . VAL 85 85 18031 1 . LEU 86 86 18031 1 . ARG 87 87 18031 1 . ALA 88 88 18031 1 . HIS 89 89 18031 1 . PRO 90 90 18031 1 . LYS 91 91 18031 1 . LEU 92 92 18031 1 . ILE 93 93 18031 1 . GLY 94 94 18031 1 . GLU 95 95 18031 1 . ARG 96 96 18031 1 . LEU 97 97 18031 1 . ARG 98 98 18031 1 . GLU 99 99 18031 1 . ARG 100 100 18031 1 . GLY 101 101 18031 1 . TYR 102 102 18031 1 . ASP 103 103 18031 1 . ARG 104 104 18031 1 . GLU 105 105 18031 1 . LYS 106 106 18031 1 . ILE 107 107 18031 1 . GLY 108 108 18031 1 . GLU 109 109 18031 1 . ASN 110 110 18031 1 . VAL 111 111 18031 1 . GLU 112 112 18031 1 . ALA 113 113 18031 1 . GLU 114 114 18031 1 . LEU 115 115 18031 1 . VAL 116 116 18031 1 . ASP 117 117 18031 1 . ALA 118 118 18031 1 . VAL 119 119 18031 1 . LEU 120 120 18031 1 . ILE 121 121 18031 1 . GLU 122 122 18031 1 . ALA 123 123 18031 1 . ILE 124 124 18031 1 . GLU 125 125 18031 1 . GLU 126 126 18031 1 . HIS 127 127 18031 1 . GLU 128 128 18031 1 . ASN 129 129 18031 1 . VAL 130 130 18031 1 . ILE 131 131 18031 1 . GLU 132 132 18031 1 . VAL 133 133 18031 1 . ASP 134 134 18031 1 . THR 135 135 18031 1 . THR 136 136 18031 1 . ASN 137 137 18031 1 . LYS 138 138 18031 1 . SER 139 139 18031 1 . PRO 140 140 18031 1 . GLU 141 141 18031 1 . ASP 142 142 18031 1 . VAL 143 143 18031 1 . VAL 144 144 18031 1 . GLU 145 145 18031 1 . GLU 146 146 18031 1 . ILE 147 147 18031 1 . VAL 148 148 18031 1 . SER 149 149 18031 1 . LEU 150 150 18031 1 . ILE 151 151 18031 1 . ASN 152 152 18031 1 . SER 153 153 18031 1 . GLY 154 154 18031 1 . ILE 155 155 18031 1 . LYS 156 156 18031 1 . LYS 157 157 18031 1 . ARG 158 158 18031 1 . VAL 159 159 18031 1 . GLY 160 160 18031 1 . ILE 161 161 18031 1 . VAL 162 162 18031 1 . ASP 163 163 18031 1 . TRP 164 164 18031 1 . SER 165 165 18031 1 . GLU 166 166 18031 1 . VAL 167 167 18031 1 . TYR 168 168 18031 1 . ASP 169 169 18031 1 . GLU 170 170 18031 1 . ILE 171 171 18031 1 . ILE 172 172 18031 1 . PRO 173 173 18031 1 . TYR 174 174 18031 1 . LEU 175 175 18031 1 . ARG 176 176 18031 1 . LEU 177 177 18031 1 . GLY 178 178 18031 1 . GLY 179 179 18031 1 . GLU 180 180 18031 1 stop_ save_ save_AP5 _Entity.Sf_category entity _Entity.Sf_framecode AP5 _Entity.Entry_ID 18031 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name AP5 _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 AP5 _Entity.Nonpolymer_comp_label $chem_comp_AP5 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . AP5 . 18031 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 18031 _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 $Fap7 . 53953 organism . 'Pyrococcus horikoshii' 'Pyrococcus horikoshii' . . Archaea . Pyrococcus horikoshii . . . . . . . . . . . . . . . . . . 'synthetic gene based on P. horikoshii sequence' . . 18031 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 18031 _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 $Fap7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET21a . . . . . . 18031 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AP5 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AP5 _Chem_comp.Entry_ID 18031 _Chem_comp.ID AP5 _Chem_comp.Provenance . _Chem_comp.Name BIS(ADENOSINE)-5'-PENTAPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code AP5 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AP5 _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 . _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C20 H29 N10 O22 P5' _Chem_comp.Formula_weight 916.367 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AKE _Chem_comp.Processing_site RCSB _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 Mon Nov 7 13:51:45 2011 ; _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 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 18031 AP5 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18031 AP5 InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 InChI InChI 1.03 18031 AP5 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 18031 AP5 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O SMILES CACTVS 3.341 18031 AP5 OIMACDRJUANHTJ-XPWFQUROSA-N InChIKey InChI 1.03 18031 AP5 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 '[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18031 AP5 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 PA . PA . . P . . S 0 . . . . no no . . . . 22.201 . 6.089 . 19.452 . -0.998 0.944 5.000 1 . 18031 AP5 O1A . O1A . . O . . N 0 . . . . no no . . . . 22.416 . 6.745 . 18.144 . 0.236 1.740 5.175 2 . 18031 AP5 O2A . O2A . . O . . N 0 . . . . no no . . . . 21.476 . 6.864 . 20.478 . -2.217 1.922 4.613 3 . 18031 AP5 O3A . O3A . . O . . N 0 . . . . no no . . . . 21.770 . 4.549 . 19.290 . -0.780 -0.132 3.823 4 . 18031 AP5 PB . PB . . P . . S 0 . . . . no no . . . . 20.344 . 3.896 . 18.917 . -0.443 0.700 2.487 5 . 18031 AP5 O1B . O1B . . O . . N 0 . . . . no no . . . . 20.857 . 2.643 . 18.377 . 0.783 1.500 2.701 6 . 18031 AP5 O2B . O2B . . O . . N 0 . . . . no no . . . . 19.561 . 4.700 . 17.951 . -1.671 1.682 2.143 7 . 18031 AP5 O3B . O3B . . O . . N 0 . . . . no no . . . . 19.580 . 3.556 . 20.304 . -0.212 -0.319 1.262 8 . 18031 AP5 PG . PG . . P . . N 0 . . . . no no . . . . 17.985 . 3.557 . 20.606 . 0.118 0.577 -0.033 9 . 18031 AP5 O1G . O1G . . O . . N 0 . . . . no no . . . . 17.476 . 4.926 . 20.866 . -1.018 1.482 -0.310 10 . 18031 AP5 O2G . O2G . . O . . N 0 . . . . no no . . . . 17.289 . 2.760 . 19.558 . 1.443 1.449 0.242 11 . 18031 AP5 O3G . O3G . . O . . N 0 . . . . no no . . . . 18.082 . 2.680 . 21.967 . 0.362 -0.383 -1.301 12 . 18031 AP5 PD . PD . . P . . S 0 . . . . no no . . . . 16.945 . 2.326 . 23.101 . 0.686 0.574 -2.554 13 . 18031 AP5 O1D . O1D . . O . . N 0 . . . . no no . . . . 16.975 . 0.838 . 23.248 . -0.460 1.479 -2.793 14 . 18031 AP5 O2D . O2D . . O . . N 0 . . . . no no . . . . 17.317 . 3.050 . 24.336 . 2.001 1.446 -2.237 15 . 18031 AP5 O3D . O3D . . O . . N 0 . . . . no no . . . . 15.397 . 2.495 . 22.602 . 0.942 -0.325 -3.865 16 . 18031 AP5 PE . PE . . P . . S 0 . . . . no no . . . . 14.541 . 3.700 . 21.938 . 1.258 0.691 -5.073 17 . 18031 AP5 O1E . O1E . . O . . N 0 . . . . no no . . . . 14.837 . 5.089 . 22.338 . 0.103 1.594 -5.273 18 . 18031 AP5 O2E . O2E . . O . . N 0 . . . . no no . . . . 14.021 . 3.514 . 20.557 . 2.564 1.562 -4.713 19 . 18031 AP5 O5F . O5F . . O . . N 0 . . . . no no . . . . 23.694 . 5.984 . 20.010 . -1.340 0.176 6.373 20 . 18031 AP5 C5F . C5F . . C . . N 0 . . . . no no . . . . 23.863 . 5.533 . 21.343 . -1.522 1.180 7.373 21 . 18031 AP5 C4F . C4F . . C . . R 0 . . . . no no . . . . 24.868 . 6.417 . 22.062 . -1.852 0.513 8.710 22 . 18031 AP5 O4F . O4F . . O . . N 0 . . . . no no . . . . 26.197 . 6.203 . 21.583 . -0.764 -0.337 9.130 23 . 18031 AP5 C3F . C3F . . C . . S 0 . . . . no no . . . . 24.677 . 7.945 . 21.924 . -1.977 1.574 9.827 24 . 18031 AP5 O3F . O3F . . O . . N 0 . . . . no no . . . . 25.346 . 8.532 . 23.016 . -3.349 1.898 10.058 25 . 18031 AP5 C2F . C2F . . C . . R 0 . . . . no no . . . . 25.443 . 8.295 . 20.628 . -1.364 0.886 11.069 26 . 18031 AP5 O2F . O2F . . O . . N 0 . . . . no no . . . . 26.145 . 9.548 . 20.716 . -2.339 0.767 12.107 27 . 18031 AP5 C1F . C1F . . C . . R 0 . . . . no no . . . . 26.421 . 7.150 . 20.562 . -0.939 -0.506 10.554 28 . 18031 AP5 N9A . N9A . . N . . N 0 . . . . yes no . . . . 27.112 . 6.824 . 19.345 . 0.319 -0.919 11.178 29 . 18031 AP5 C8A . C8A . . C . . N 0 . . . . yes no . . . . 26.489 . 6.695 . 18.135 . 1.574 -0.648 10.719 30 . 18031 AP5 N7A . N7A . . N . . N 0 . . . . yes no . . . . 27.295 . 6.275 . 17.223 . 2.461 -1.166 11.518 31 . 18031 AP5 C5A . C5A . . C . . N 0 . . . . yes no . . . . 28.529 . 6.124 . 17.797 . 1.834 -1.796 12.540 32 . 18031 AP5 C6A . C6A . . C . . N 0 . . . . yes no . . . . 29.735 . 5.649 . 17.285 . 2.262 -2.520 13.665 33 . 18031 AP5 N6A . N6A . . N . . N 0 . . . . no no . . . . 29.771 . 5.190 . 16.024 . 3.610 -2.701 13.920 34 . 18031 AP5 N1A . N1A . . N . . N 0 . . . . yes no . . . . 30.793 . 5.669 . 18.130 . 1.342 -3.022 14.483 35 . 18031 AP5 C2A . C2A . . C . . N 0 . . . . yes no . . . . 30.595 . 6.010 . 19.414 . 0.054 -2.854 14.248 36 . 18031 AP5 N3A . N3A . . N . . N 0 . . . . yes no . . . . 29.508 . 6.464 . 20.023 . -0.392 -2.188 13.204 37 . 18031 AP5 C4A . C4A . . C . . N 0 . . . . yes no . . . . 28.440 . 6.487 . 19.168 . 0.452 -1.650 12.331 38 . 18031 AP5 O5J . O5J . . O . . N 0 . . . . no no . . . . 13.178 . 3.399 . 22.744 . 1.526 -0.144 -6.422 39 . 18031 AP5 C5J . C5J . . C . . N 0 . . . . no no . . . . 13.096 . 3.370 . 24.177 . 1.799 0.808 -7.451 40 . 18031 AP5 C4J . C4J . . C . . R 0 . . . . no no . . . . 11.797 . 2.648 . 24.646 . 2.063 0.075 -8.768 41 . 18031 AP5 O4J . O4J . . O . . N 0 . . . . no no . . . . 10.642 . 3.052 . 23.872 . 0.897 -0.670 -9.155 42 . 18031 AP5 C3J . C3J . . C . . S 0 . . . . no no . . . . 11.850 . 1.118 . 24.442 . 2.352 1.095 -9.887 43 . 18031 AP5 O3J . O3J . . O . . N 0 . . . . no no . . . . 12.535 . 0.450 . 25.490 . 3.654 0.888 -10.437 44 . 18031 AP5 C2J . C2J . . C . . R 0 . . . . no no . . . . 10.402 . 0.698 . 24.318 . 1.260 0.805 -10.951 45 . 18031 AP5 O2J . O2J . . O . . N 0 . . . . no no . . . . 9.706 . 0.889 . 25.519 . 1.805 0.871 -12.270 46 . 18031 AP5 C1J . C1J . . C . . R 0 . . . . no no . . . . 10.066 . 1.830 . 23.414 . 0.840 -0.644 -10.598 47 . 18031 AP5 N9B . N9B . . N . . N 0 . . . . yes no . . . . 9.747 . 1.616 . 22.023 . -0.520 -0.918 -11.065 48 . 18031 AP5 C8B . C8B . . C . . N 0 . . . . yes no . . . . 10.182 . 2.374 . 20.967 . -1.675 -0.641 -10.395 49 . 18031 AP5 N7B . N7B . . N . . N 0 . . . . yes no . . . . 9.821 . 1.888 . 19.815 . -2.700 -1.016 -11.102 50 . 18031 AP5 C5B . C5B . . C . . N 0 . . . . yes no . . . . 9.099 . 0.730 . 20.087 . -2.271 -1.556 -12.268 51 . 18031 AP5 C6B . C6B . . C . . N 0 . . . . yes no . . . . 8.487 . -0.225 . 19.272 . -2.905 -2.115 -13.391 52 . 18031 AP5 N6B . N6B . . N . . N 0 . . . . no no . . . . 8.669 . -0.222 . 17.956 . -4.285 -2.198 -13.457 53 . 18031 AP5 N1B . N1B . . N . . N 0 . . . . yes no . . . . 7.799 . -1.199 . 19.879 . -2.148 -2.563 -14.388 54 . 18031 AP5 C2B . C2B . . C . . N 0 . . . . yes no . . . . 7.763 . -1.199 . 21.208 . -0.831 -2.488 -14.333 55 . 18031 AP5 N3B . N3B . . N . . N 0 . . . . yes no . . . . 8.373 . -0.426 . 22.108 . -0.194 -1.973 -13.303 56 . 18031 AP5 C4B . C4B . . C . . N 0 . . . . yes no . . . . 9.034 . 0.571 . 21.499 . -0.867 -1.495 -12.261 57 . 18031 AP5 HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 21.337 . 6.442 . 21.318 . -3.000 1.364 4.509 58 . 18031 AP5 HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 18.720 . 4.315 . 17.731 . -2.448 1.122 2.011 59 . 18031 AP5 HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 16.355 . 2.760 . 19.734 . 2.159 0.823 0.418 60 . 18031 AP5 HOD2 . HOD2 . . H . . N 0 . . . . no no . . . . 16.660 . 2.845 . 24.991 . 2.723 0.820 -2.088 61 . 18031 AP5 HOE2 . HOE2 . . H . . N 0 . . . . no no . . . . 13.519 . 4.220 . 20.167 . 3.292 0.937 -4.591 62 . 18031 AP5 H51A . H51A . . H . . N 0 . . . . no no . . . . 22.893 . 5.469 . 21.890 . -2.341 1.838 7.083 63 . 18031 AP5 H52A . H52A . . H . . N 0 . . . . no no . . . . 24.144 . 4.455 . 21.388 . -0.606 1.762 7.474 64 . 18031 AP5 H4F . H4F . . H . . N 0 . . . . no no . . . . 24.696 . 6.114 . 23.121 . -2.774 -0.061 8.629 65 . 18031 AP5 H3F . H3F . . H . . N 0 . . . . no no . . . . 23.613 . 8.280 . 21.898 . -1.412 2.469 9.567 66 . 18031 AP5 HO3A . HO3A . . H . . N 0 . . . . no no . . . . 25.228 . 9.470 . 22.931 . -3.364 2.562 10.762 67 . 18031 AP5 H2F . H2F . . H . . N 0 . . . . no no . . . . 24.778 . 8.414 . 19.740 . -0.496 1.441 11.424 68 . 18031 AP5 HO2A . HO2A . . H . . N 0 . . . . no no . . . . 26.615 . 9.763 . 19.919 . -2.607 1.666 12.343 69 . 18031 AP5 H1F . H1F . . H . . N 0 . . . . no no . . . . 27.422 . 7.575 . 20.805 . -1.720 -1.239 10.755 70 . 18031 AP5 H8A . H8A . . H . . N 0 . . . . no no . . . . 25.430 . 6.910 . 17.914 . 1.798 -0.086 9.824 71 . 18031 AP5 H61A . H61A . . H . . N 0 . . . . no no . . . . 30.653 . 4.842 . 15.649 . 3.893 -3.200 14.703 72 . 18031 AP5 H62A . H62A . . H . . N 0 . . . . no no . . . . 29.411 . 5.913 . 15.400 . 4.272 -2.333 13.314 73 . 18031 AP5 H2A . H2A . . H . . N 0 . . . . no no . . . . 31.469 . 5.898 . 20.077 . -0.659 -3.279 14.938 74 . 18031 AP5 H51B . H51B . . H . . N 0 . . . . no no . . . . 14.006 . 2.915 . 24.632 . 0.941 1.470 -7.570 75 . 18031 AP5 H52B . H52B . . H . . N 0 . . . . no no . . . . 13.179 . 4.392 . 24.614 . 2.676 1.395 -7.180 76 . 18031 AP5 H4J . H4J . . H . . N 0 . . . . no no . . . . 11.718 . 2.924 . 25.723 . 2.912 -0.598 -8.653 77 . 18031 AP5 H3J . H3J . . H . . N 0 . . . . no no . . . . 12.435 . 0.839 . 23.534 . 2.255 2.112 -9.509 78 . 18031 AP5 HO3B . HO3B . . H . . N 0 . . . . no no . . . . 12.567 . -0.491 . 25.364 . 3.751 1.514 -11.169 79 . 18031 AP5 H2J . H2J . . H . . N 0 . . . . no no . . . . 10.191 . -0.355 . 24.021 . 0.420 1.491 -10.844 80 . 18031 AP5 HO2B . HO2B . . H . . N 0 . . . . no no . . . . 8.796 . 0.625 . 25.441 . 2.046 1.795 -12.427 81 . 18031 AP5 H1J . H1J . . H . . N 0 . . . . no no . . . . 8.964 . 1.972 . 23.508 . 1.542 -1.361 -11.023 82 . 18031 AP5 H8B . H8B . . H . . N 0 . . . . no no . . . . 10.775 . 3.301 . 21.038 . -1.729 -0.178 -9.421 83 . 18031 AP5 H61B . H61B . . H . . N 0 . . . . no no . . . . 8.222 . -0.919 . 17.360 . -4.710 -2.586 -14.238 84 . 18031 AP5 H62B . H62B . . H . . N 0 . . . . no no . . . . 9.672 . -0.248 . 17.775 . -4.826 -1.868 -12.723 85 . 18031 AP5 H2B . H2B . . H . . N 0 . . . . no no . . . . 7.112 . -1.977 . 21.640 . -0.254 -2.864 -15.165 86 . 18031 AP5 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 18031 AP5 2 . SING PA O2A no N 2 . 18031 AP5 3 . SING PA O3A no N 3 . 18031 AP5 4 . SING PA O5F no N 4 . 18031 AP5 5 . SING O2A HOA2 no N 5 . 18031 AP5 6 . SING O3A PB no N 6 . 18031 AP5 7 . DOUB PB O1B no N 7 . 18031 AP5 8 . SING PB O2B no N 8 . 18031 AP5 9 . SING PB O3B no N 9 . 18031 AP5 10 . SING O2B HOB2 no N 10 . 18031 AP5 11 . SING O3B PG no N 11 . 18031 AP5 12 . DOUB PG O1G no N 12 . 18031 AP5 13 . SING PG O2G no N 13 . 18031 AP5 14 . SING PG O3G no N 14 . 18031 AP5 15 . SING O2G HOG2 no N 15 . 18031 AP5 16 . SING O3G PD no N 16 . 18031 AP5 17 . DOUB PD O1D no N 17 . 18031 AP5 18 . SING PD O2D no N 18 . 18031 AP5 19 . SING PD O3D no N 19 . 18031 AP5 20 . SING O2D HOD2 no N 20 . 18031 AP5 21 . SING O3D PE no N 21 . 18031 AP5 22 . DOUB PE O1E no N 22 . 18031 AP5 23 . SING PE O2E no N 23 . 18031 AP5 24 . SING PE O5J no N 24 . 18031 AP5 25 . SING O2E HOE2 no N 25 . 18031 AP5 26 . SING O5F C5F no N 26 . 18031 AP5 27 . SING C5F C4F no N 27 . 18031 AP5 28 . SING C5F H51A no N 28 . 18031 AP5 29 . SING C5F H52A no N 29 . 18031 AP5 30 . SING C4F O4F no N 30 . 18031 AP5 31 . SING C4F C3F no N 31 . 18031 AP5 32 . SING C4F H4F no N 32 . 18031 AP5 33 . SING O4F C1F no N 33 . 18031 AP5 34 . SING C3F O3F no N 34 . 18031 AP5 35 . SING C3F C2F no N 35 . 18031 AP5 36 . SING C3F H3F no N 36 . 18031 AP5 37 . SING O3F HO3A no N 37 . 18031 AP5 38 . SING C2F O2F no N 38 . 18031 AP5 39 . SING C2F C1F no N 39 . 18031 AP5 40 . SING C2F H2F no N 40 . 18031 AP5 41 . SING O2F HO2A no N 41 . 18031 AP5 42 . SING C1F N9A no N 42 . 18031 AP5 43 . SING C1F H1F no N 43 . 18031 AP5 44 . SING N9A C8A yes N 44 . 18031 AP5 45 . SING N9A C4A yes N 45 . 18031 AP5 46 . DOUB C8A N7A yes N 46 . 18031 AP5 47 . SING C8A H8A no N 47 . 18031 AP5 48 . SING N7A C5A yes N 48 . 18031 AP5 49 . SING C5A C6A yes N 49 . 18031 AP5 50 . DOUB C5A C4A yes N 50 . 18031 AP5 51 . SING C6A N6A no N 51 . 18031 AP5 52 . DOUB C6A N1A yes N 52 . 18031 AP5 53 . SING N6A H61A no N 53 . 18031 AP5 54 . SING N6A H62A no N 54 . 18031 AP5 55 . SING N1A C2A yes N 55 . 18031 AP5 56 . DOUB C2A N3A yes N 56 . 18031 AP5 57 . SING C2A H2A no N 57 . 18031 AP5 58 . SING N3A C4A yes N 58 . 18031 AP5 59 . SING O5J C5J no N 59 . 18031 AP5 60 . SING C5J C4J no N 60 . 18031 AP5 61 . SING C5J H51B no N 61 . 18031 AP5 62 . SING C5J H52B no N 62 . 18031 AP5 63 . SING C4J O4J no N 63 . 18031 AP5 64 . SING C4J C3J no N 64 . 18031 AP5 65 . SING C4J H4J no N 65 . 18031 AP5 66 . SING O4J C1J no N 66 . 18031 AP5 67 . SING C3J O3J no N 67 . 18031 AP5 68 . SING C3J C2J no N 68 . 18031 AP5 69 . SING C3J H3J no N 69 . 18031 AP5 70 . SING O3J HO3B no N 70 . 18031 AP5 71 . SING C2J O2J no N 71 . 18031 AP5 72 . SING C2J C1J no N 72 . 18031 AP5 73 . SING C2J H2J no N 73 . 18031 AP5 74 . SING O2J HO2B no N 74 . 18031 AP5 75 . SING C1J N9B no N 75 . 18031 AP5 76 . SING C1J H1J no N 76 . 18031 AP5 77 . SING N9B C8B yes N 77 . 18031 AP5 78 . SING N9B C4B yes N 78 . 18031 AP5 79 . DOUB C8B N7B yes N 79 . 18031 AP5 80 . SING C8B H8B no N 80 . 18031 AP5 81 . SING N7B C5B yes N 81 . 18031 AP5 82 . SING C5B C6B yes N 82 . 18031 AP5 83 . DOUB C5B C4B yes N 83 . 18031 AP5 84 . SING C6B N6B no N 84 . 18031 AP5 85 . DOUB C6B N1B yes N 85 . 18031 AP5 86 . SING N6B H61B no N 86 . 18031 AP5 87 . SING N6B H62B no N 87 . 18031 AP5 88 . SING N1B C2B yes N 88 . 18031 AP5 89 . DOUB C2B N3B yes N 89 . 18031 AP5 90 . SING C2B H2B no N 90 . 18031 AP5 91 . SING N3B C4B yes N 91 . 18031 AP5 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18031 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Fap7 in 50mM BisTris pH6.5, 50mM NaCl' _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 Fap7 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Fap7 . . 250 . . uM . . . . 18031 1 2 BisTris 'natural abundance' . . . . . . 50 . . mM . . . . 18031 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18031 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18031 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18031 1 6 AP5A 'natural abundance' . . 2 $AP5 . . 2.5 . . mM . . . . 18031 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18031 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Fap7 in 50mM BisTris pH6.5, 50mM NaCl' _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 Fap7 '[U-100% 13C-Pro; U-100% 15N-Lys]' . . 1 $Fap7 . . 250 . . uM . . . . 18031 2 2 BisTris 'natural abundance' . . . . . . 50 . . mM . . . . 18031 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18031 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18031 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18031 2 6 AP5A 'natural abundance' . . 2 $AP5 . . 2.5 . . mM . . . . 18031 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18031 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Fap7 in 50mM BisTris pH6.5, 50mM NaCl' _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 Fap7 '[U-100% 13C-Pro; U-100% 15N-Tyr]' . . 1 $Fap7 . . 250 . . uM . . . . 18031 3 2 BisTris 'natural abundance' . . . . . . 50 . . mM . . . . 18031 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18031 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18031 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18031 3 6 AP5A 'natural abundance' . . 2 $AP5 . . 2.5 . . mM . . . . 18031 3 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 18031 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; same conditions used for all samples; Fap7 in 50mM BisTris pH6.5, 50mM NaCl, 2.5mM AP5A ; 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' 0.05 . M 18031 1 pH 6.5 . pH 18031 1 pressure 1 . atm 18031 1 temperature 305 . K 18031 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18031 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 18031 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18031 1 processing 18031 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18031 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . www.nmr.ch 18031 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18031 2 'peak picking' 18031 2 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 18031 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18031 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18031 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18031 _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 Avance . 950 . . . 18031 1 2 spectrometer_2 Bruker Avance . 900 . . . 18031 1 3 spectrometer_3 Bruker Avance . 800 . . . 18031 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 18031 _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 . . . . . . . . . . . . . . . . . . . . . 18031 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18031 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18031 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18031 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18031 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18031 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18031 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 18031 _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 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18031 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18031 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18031 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 18031 _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 4 '3D HNCO' . . . 18031 1 5 '3D HNCA' . . . 18031 1 6 '3D HNCACB' . . . 18031 1 7 '3D HN(CO)CA' . . . 18031 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 18031 1 'TROSY offset' 'amide protons' . . . 18031 1 'TROSY offset' 'amide nitrogens' . . . 18031 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 LEU H H 1 10.028 0.020 . 1 . . . . 2 LEU H . 18031 1 2 . 1 1 2 2 LEU C C 13 173.684 0.3 . 1 . . . . 2 LEU C . 18031 1 3 . 1 1 2 2 LEU CA C 13 50.601 0.3 . 1 . . . . 2 LEU CA . 18031 1 4 . 1 1 2 2 LEU N N 15 126.512 0.3 . 1 . . . . 2 LEU N . 18031 1 5 . 1 1 3 3 ILE H H 1 8.866 0.020 . 1 . . . . 3 ILE H . 18031 1 6 . 1 1 3 3 ILE C C 13 172.224 0.3 . 1 . . . . 3 ILE C . 18031 1 7 . 1 1 3 3 ILE CA C 13 56.734 0.3 . 1 . . . . 3 ILE CA . 18031 1 8 . 1 1 3 3 ILE N N 15 125.572 0.3 . 1 . . . . 3 ILE N . 18031 1 9 . 1 1 4 4 ALA H H 1 8.948 0.020 . 1 . . . . 4 ALA H . 18031 1 10 . 1 1 4 4 ALA C C 13 172.847 0.3 . 1 . . . . 4 ALA C . 18031 1 11 . 1 1 4 4 ALA CA C 13 47.595 0.3 . 1 . . . . 4 ALA CA . 18031 1 12 . 1 1 4 4 ALA N N 15 128.686 0.3 . 1 . . . . 4 ALA N . 18031 1 13 . 1 1 5 5 ILE H H 1 8.508 0.020 . 1 . . . . 5 ILE H . 18031 1 14 . 1 1 5 5 ILE C C 13 172.164 0.3 . 1 . . . . 5 ILE C . 18031 1 15 . 1 1 5 5 ILE CA C 13 55.554 0.3 . 1 . . . . 5 ILE CA . 18031 1 16 . 1 1 5 5 ILE N N 15 122.591 0.3 . 1 . . . . 5 ILE N . 18031 1 17 . 1 1 7 7 GLY H H 1 7.888 0.020 . 1 . . . . 7 GLY H . 18031 1 18 . 1 1 7 7 GLY C C 13 169.753 0.3 . 1 . . . . 7 GLY C . 18031 1 19 . 1 1 7 7 GLY CA C 13 40.976 0.3 . 1 . . . . 7 GLY CA . 18031 1 20 . 1 1 7 7 GLY N N 15 108.725 0.3 . 1 . . . . 7 GLY N . 18031 1 21 . 1 1 8 8 THR H H 1 9.177 0.020 . 1 . . . . 8 THR H . 18031 1 22 . 1 1 8 8 THR C C 13 169.123 0.3 . 1 . . . . 8 THR C . 18031 1 23 . 1 1 8 8 THR CA C 13 59.619 0.3 . 1 . . . . 8 THR CA . 18031 1 24 . 1 1 8 8 THR N N 15 123.065 0.3 . 1 . . . . 8 THR N . 18031 1 25 . 1 1 16 16 VAL C C 13 173.856 0.3 . 1 . . . . 16 VAL C . 18031 1 26 . 1 1 16 16 VAL CA C 13 64.128 0.3 . 1 . . . . 16 VAL CA . 18031 1 27 . 1 1 17 17 ALA H H 1 8.890 0.020 . 1 . . . . 17 ALA H . 18031 1 28 . 1 1 17 17 ALA C C 13 176.523 0.3 . 1 . . . . 17 ALA C . 18031 1 29 . 1 1 17 17 ALA CA C 13 52.890 0.3 . 1 . . . . 17 ALA CA . 18031 1 30 . 1 1 17 17 ALA N N 15 121.219 0.3 . 1 . . . . 17 ALA N . 18031 1 31 . 1 1 18 18 LYS H H 1 8.438 0.020 . 1 . . . . 18 LYS H . 18031 1 32 . 1 1 18 18 LYS C C 13 177.587 0.3 . 1 . . . . 18 LYS C . 18031 1 33 . 1 1 18 18 LYS CA C 13 57.216 0.3 . 1 . . . . 18 LYS CA . 18031 1 34 . 1 1 18 18 LYS N N 15 116.197 0.3 . 1 . . . . 18 LYS N . 18031 1 35 . 1 1 19 19 LEU H H 1 7.712 0.020 . 1 . . . . 19 LEU H . 18031 1 36 . 1 1 19 19 LEU C C 13 176.771 0.3 . 1 . . . . 19 LEU C . 18031 1 37 . 1 1 19 19 LEU CA C 13 54.496 0.3 . 1 . . . . 19 LEU CA . 18031 1 38 . 1 1 19 19 LEU N N 15 120.494 0.3 . 1 . . . . 19 LEU N . 18031 1 39 . 1 1 20 20 LEU H H 1 9.110 0.020 . 1 . . . . 20 LEU H . 18031 1 40 . 1 1 20 20 LEU C C 13 175.075 0.3 . 1 . . . . 20 LEU C . 18031 1 41 . 1 1 20 20 LEU CA C 13 54.666 0.3 . 1 . . . . 20 LEU CA . 18031 1 42 . 1 1 20 20 LEU N N 15 122.437 0.3 . 1 . . . . 20 LEU N . 18031 1 43 . 1 1 21 21 ALA H H 1 8.219 0.020 . 1 . . . . 21 ALA H . 18031 1 44 . 1 1 21 21 ALA C C 13 176.790 0.3 . 1 . . . . 21 ALA C . 18031 1 45 . 1 1 21 21 ALA CA C 13 53.129 0.3 . 1 . . . . 21 ALA CA . 18031 1 46 . 1 1 21 21 ALA N N 15 119.910 0.3 . 1 . . . . 21 ALA N . 18031 1 47 . 1 1 22 22 LYS H H 1 7.432 0.020 . 1 . . . . 22 LYS H . 18031 1 48 . 1 1 22 22 LYS C C 13 176.960 0.3 . 1 . . . . 22 LYS C . 18031 1 49 . 1 1 22 22 LYS CA C 13 56.101 0.3 . 1 . . . . 22 LYS CA . 18031 1 50 . 1 1 22 22 LYS N N 15 116.566 0.3 . 1 . . . . 22 LYS N . 18031 1 51 . 1 1 23 23 LYS H H 1 8.222 0.020 . 1 . . . . 23 LYS H . 18031 1 52 . 1 1 23 23 LYS C C 13 175.807 0.3 . 1 . . . . 23 LYS C . 18031 1 53 . 1 1 23 23 LYS CA C 13 55.134 0.3 . 1 . . . . 23 LYS CA . 18031 1 54 . 1 1 23 23 LYS N N 15 120.365 0.3 . 1 . . . . 23 LYS N . 18031 1 55 . 1 1 24 24 LEU H H 1 7.842 0.020 . 1 . . . . 24 LEU H . 18031 1 56 . 1 1 24 24 LEU C C 13 174.239 0.3 . 1 . . . . 24 LEU C . 18031 1 57 . 1 1 24 24 LEU CA C 13 51.506 0.3 . 1 . . . . 24 LEU CA . 18031 1 58 . 1 1 24 24 LEU N N 15 115.088 0.3 . 1 . . . . 24 LEU N . 18031 1 59 . 1 1 25 25 ASN H H 1 7.935 0.020 . 1 . . . . 25 ASN H . 18031 1 60 . 1 1 25 25 ASN C C 13 172.495 0.3 . 1 . . . . 25 ASN C . 18031 1 61 . 1 1 25 25 ASN CA C 13 51.729 0.3 . 1 . . . . 25 ASN CA . 18031 1 62 . 1 1 25 25 ASN N N 15 116.930 0.3 . 1 . . . . 25 ASN N . 18031 1 63 . 1 1 26 26 TYR H H 1 8.977 0.020 . 1 . . . . 26 TYR H . 18031 1 64 . 1 1 26 26 TYR C C 13 172.855 0.3 . 1 . . . . 26 TYR C . 18031 1 65 . 1 1 26 26 TYR CA C 13 51.501 0.3 . 1 . . . . 26 TYR CA . 18031 1 66 . 1 1 26 26 TYR N N 15 120.887 0.3 . 1 . . . . 26 TYR N . 18031 1 67 . 1 1 27 27 GLU H H 1 8.131 0.020 . 1 . . . . 27 GLU H . 18031 1 68 . 1 1 27 27 GLU C C 13 173.119 0.3 . 1 . . . . 27 GLU C . 18031 1 69 . 1 1 27 27 GLU CA C 13 53.661 0.3 . 1 . . . . 27 GLU CA . 18031 1 70 . 1 1 27 27 GLU N N 15 119.798 0.3 . 1 . . . . 27 GLU N . 18031 1 71 . 1 1 28 28 TYR H H 1 8.722 0.020 . 1 . . . . 28 TYR H . 18031 1 72 . 1 1 28 28 TYR C C 13 171.481 0.3 . 1 . . . . 28 TYR C . 18031 1 73 . 1 1 28 28 TYR CA C 13 55.065 0.3 . 1 . . . . 28 TYR CA . 18031 1 74 . 1 1 28 28 TYR N N 15 125.685 0.3 . 1 . . . . 28 TYR N . 18031 1 75 . 1 1 29 29 VAL H H 1 8.324 0.020 . 1 . . . . 29 VAL H . 18031 1 76 . 1 1 29 29 VAL C C 13 171.107 0.3 . 1 . . . . 29 VAL C . 18031 1 77 . 1 1 29 29 VAL CA C 13 57.843 0.3 . 1 . . . . 29 VAL CA . 18031 1 78 . 1 1 29 29 VAL N N 15 129.949 0.3 . 1 . . . . 29 VAL N . 18031 1 79 . 1 1 30 30 SER H H 1 8.507 0.020 . 1 . . . . 30 SER H . 18031 1 80 . 1 1 30 30 SER C C 13 173.342 0.3 . 1 . . . . 30 SER C . 18031 1 81 . 1 1 30 30 SER CA C 13 52.685 0.3 . 1 . . . . 30 SER CA . 18031 1 82 . 1 1 30 30 SER N N 15 122.608 0.3 . 1 . . . . 30 SER N . 18031 1 83 . 1 1 31 31 LEU H H 1 8.537 0.020 . 1 . . . . 31 LEU H . 18031 1 84 . 1 1 31 31 LEU C C 13 175.495 0.3 . 1 . . . . 31 LEU C . 18031 1 85 . 1 1 31 31 LEU CA C 13 55.712 0.3 . 1 . . . . 31 LEU CA . 18031 1 86 . 1 1 31 31 LEU N N 15 131.443 0.3 . 1 . . . . 31 LEU N . 18031 1 87 . 1 1 32 32 LYS H H 1 8.629 0.020 . 1 . . . . 32 LYS H . 18031 1 88 . 1 1 32 32 LYS C C 13 174.512 0.3 . 1 . . . . 32 LYS C . 18031 1 89 . 1 1 32 32 LYS CA C 13 56.990 0.3 . 1 . . . . 32 LYS CA . 18031 1 90 . 1 1 32 32 LYS N N 15 118.176 0.3 . 1 . . . . 32 LYS N . 18031 1 91 . 1 1 33 33 ASP H H 1 7.215 0.020 . 1 . . . . 33 ASP H . 18031 1 92 . 1 1 33 33 ASP C C 13 176.057 0.3 . 1 . . . . 33 ASP C . 18031 1 93 . 1 1 33 33 ASP CA C 13 54.492 0.3 . 1 . . . . 33 ASP CA . 18031 1 94 . 1 1 33 33 ASP N N 15 119.204 0.3 . 1 . . . . 33 ASP N . 18031 1 95 . 1 1 34 34 PHE H H 1 8.688 0.020 . 1 . . . . 34 PHE H . 18031 1 96 . 1 1 34 34 PHE C C 13 174.264 0.3 . 1 . . . . 34 PHE C . 18031 1 97 . 1 1 34 34 PHE CA C 13 58.310 0.3 . 1 . . . . 34 PHE CA . 18031 1 98 . 1 1 34 34 PHE N N 15 123.308 0.3 . 1 . . . . 34 PHE N . 18031 1 99 . 1 1 35 35 ALA H H 1 8.539 0.020 . 1 . . . . 35 ALA H . 18031 1 100 . 1 1 35 35 ALA C C 13 177.643 0.3 . 1 . . . . 35 ALA C . 18031 1 101 . 1 1 35 35 ALA CA C 13 51.761 0.3 . 1 . . . . 35 ALA CA . 18031 1 102 . 1 1 35 35 ALA N N 15 119.507 0.3 . 1 . . . . 35 ALA N . 18031 1 103 . 1 1 36 36 LEU H H 1 7.654 0.020 . 1 . . . . 36 LEU H . 18031 1 104 . 1 1 36 36 LEU C C 13 177.680 0.3 . 1 . . . . 36 LEU C . 18031 1 105 . 1 1 36 36 LEU CA C 13 54.769 0.3 . 1 . . . . 36 LEU CA . 18031 1 106 . 1 1 36 36 LEU N N 15 117.337 0.3 . 1 . . . . 36 LEU N . 18031 1 107 . 1 1 37 37 GLU H H 1 8.155 0.020 . 1 . . . . 37 GLU H . 18031 1 108 . 1 1 37 37 GLU C C 13 176.014 0.3 . 1 . . . . 37 GLU C . 18031 1 109 . 1 1 37 37 GLU CA C 13 56.031 0.3 . 1 . . . . 37 GLU CA . 18031 1 110 . 1 1 37 37 GLU N N 15 121.074 0.3 . 1 . . . . 37 GLU N . 18031 1 111 . 1 1 38 38 LYS H H 1 7.779 0.020 . 1 . . . . 38 LYS H . 18031 1 112 . 1 1 38 38 LYS C C 13 174.372 0.3 . 1 . . . . 38 LYS C . 18031 1 113 . 1 1 38 38 LYS CA C 13 51.222 0.3 . 1 . . . . 38 LYS CA . 18031 1 114 . 1 1 38 38 LYS N N 15 114.623 0.3 . 1 . . . . 38 LYS N . 18031 1 115 . 1 1 39 39 GLY H H 1 7.528 0.020 . 1 . . . . 39 GLY H . 18031 1 116 . 1 1 39 39 GLY C C 13 171.574 0.3 . 1 . . . . 39 GLY C . 18031 1 117 . 1 1 39 39 GLY CA C 13 42.927 0.3 . 1 . . . . 39 GLY CA . 18031 1 118 . 1 1 39 39 GLY N N 15 106.134 0.3 . 1 . . . . 39 GLY N . 18031 1 119 . 1 1 40 40 CYS H H 1 8.078 0.020 . 1 . . . . 40 CYS H . 18031 1 120 . 1 1 40 40 CYS C C 13 170.081 0.3 . 1 . . . . 40 CYS C . 18031 1 121 . 1 1 40 40 CYS CA C 13 53.330 0.3 . 1 . . . . 40 CYS CA . 18031 1 122 . 1 1 40 40 CYS N N 15 114.886 0.3 . 1 . . . . 40 CYS N . 18031 1 123 . 1 1 41 41 GLY H H 1 7.377 0.020 . 1 . . . . 41 GLY H . 18031 1 124 . 1 1 41 41 GLY C C 13 168.525 0.3 . 1 . . . . 41 GLY C . 18031 1 125 . 1 1 41 41 GLY CA C 13 41.792 0.3 . 1 . . . . 41 GLY CA . 18031 1 126 . 1 1 41 41 GLY N N 15 107.708 0.3 . 1 . . . . 41 GLY N . 18031 1 127 . 1 1 42 42 ARG H H 1 8.679 0.020 . 1 . . . . 42 ARG H . 18031 1 128 . 1 1 42 42 ARG C C 13 171.594 0.3 . 1 . . . . 42 ARG C . 18031 1 129 . 1 1 42 42 ARG CA C 13 51.622 0.3 . 1 . . . . 42 ARG CA . 18031 1 130 . 1 1 42 42 ARG N N 15 119.587 0.3 . 1 . . . . 42 ARG N . 18031 1 131 . 1 1 43 43 ARG H H 1 8.775 0.020 . 1 . . . . 43 ARG H . 18031 1 132 . 1 1 43 43 ARG C C 13 173.300 0.3 . 1 . . . . 43 ARG C . 18031 1 133 . 1 1 43 43 ARG CA C 13 53.082 0.3 . 1 . . . . 43 ARG CA . 18031 1 134 . 1 1 43 43 ARG N N 15 124.024 0.3 . 1 . . . . 43 ARG N . 18031 1 135 . 1 1 44 44 VAL H H 1 8.692 0.020 . 1 . . . . 44 VAL H . 18031 1 136 . 1 1 44 44 VAL C C 13 173.093 0.3 . 1 . . . . 44 VAL C . 18031 1 137 . 1 1 44 44 VAL CA C 13 58.793 0.3 . 1 . . . . 44 VAL CA . 18031 1 138 . 1 1 44 44 VAL N N 15 127.464 0.3 . 1 . . . . 44 VAL N . 18031 1 139 . 1 1 45 45 ASN H H 1 9.084 0.020 . 1 . . . . 45 ASN H . 18031 1 140 . 1 1 45 45 ASN C C 13 171.780 0.3 . 1 . . . . 45 ASN C . 18031 1 141 . 1 1 45 45 ASN CA C 13 52.436 0.3 . 1 . . . . 45 ASN CA . 18031 1 142 . 1 1 45 45 ASN N N 15 124.995 0.3 . 1 . . . . 45 ASN N . 18031 1 143 . 1 1 46 46 ASP H H 1 8.578 0.020 . 1 . . . . 46 ASP H . 18031 1 144 . 1 1 46 46 ASP C C 13 172.591 0.3 . 1 . . . . 46 ASP C . 18031 1 145 . 1 1 46 46 ASP CA C 13 52.347 0.3 . 1 . . . . 46 ASP CA . 18031 1 146 . 1 1 46 46 ASP N N 15 119.803 0.3 . 1 . . . . 46 ASP N . 18031 1 147 . 1 1 47 47 GLU H H 1 8.100 0.020 . 1 . . . . 47 GLU H . 18031 1 148 . 1 1 47 47 GLU C C 13 172.881 0.3 . 1 . . . . 47 GLU C . 18031 1 149 . 1 1 47 47 GLU CA C 13 51.831 0.3 . 1 . . . . 47 GLU CA . 18031 1 150 . 1 1 47 47 GLU N N 15 120.747 0.3 . 1 . . . . 47 GLU N . 18031 1 151 . 1 1 48 48 VAL H H 1 8.518 0.020 . 1 . . . . 48 VAL H . 18031 1 152 . 1 1 48 48 VAL C C 13 172.847 0.3 . 1 . . . . 48 VAL C . 18031 1 153 . 1 1 48 48 VAL CA C 13 58.629 0.3 . 1 . . . . 48 VAL CA . 18031 1 154 . 1 1 48 48 VAL N N 15 121.454 0.3 . 1 . . . . 48 VAL N . 18031 1 155 . 1 1 49 49 GLU H H 1 8.916 0.020 . 1 . . . . 49 GLU H . 18031 1 156 . 1 1 49 49 GLU C C 13 173.309 0.3 . 1 . . . . 49 GLU C . 18031 1 157 . 1 1 49 49 GLU CA C 13 52.158 0.3 . 1 . . . . 49 GLU CA . 18031 1 158 . 1 1 49 49 GLU N N 15 128.883 0.3 . 1 . . . . 49 GLU N . 18031 1 159 . 1 1 50 50 VAL H H 1 8.473 0.020 . 1 . . . . 50 VAL H . 18031 1 160 . 1 1 50 50 VAL C C 13 171.942 0.3 . 1 . . . . 50 VAL C . 18031 1 161 . 1 1 50 50 VAL CA C 13 57.085 0.3 . 1 . . . . 50 VAL CA . 18031 1 162 . 1 1 50 50 VAL N N 15 120.599 0.3 . 1 . . . . 50 VAL N . 18031 1 163 . 1 1 51 51 GLU H H 1 8.225 0.020 . 1 . . . . 51 GLU H . 18031 1 164 . 1 1 51 51 GLU C C 13 174.036 0.3 . 1 . . . . 51 GLU C . 18031 1 165 . 1 1 51 51 GLU CA C 13 51.911 0.3 . 1 . . . . 51 GLU CA . 18031 1 166 . 1 1 51 51 GLU N N 15 126.009 0.3 . 1 . . . . 51 GLU N . 18031 1 167 . 1 1 52 52 ILE H H 1 8.374 0.020 . 1 . . . . 52 ILE H . 18031 1 168 . 1 1 52 52 ILE C C 13 174.071 0.3 . 1 . . . . 52 ILE C . 18031 1 169 . 1 1 52 52 ILE CA C 13 61.869 0.3 . 1 . . . . 52 ILE CA . 18031 1 170 . 1 1 52 52 ILE N N 15 126.580 0.3 . 1 . . . . 52 ILE N . 18031 1 171 . 1 1 53 53 ASP H H 1 8.624 0.020 . 1 . . . . 53 ASP H . 18031 1 172 . 1 1 53 53 ASP C C 13 176.645 0.3 . 1 . . . . 53 ASP C . 18031 1 173 . 1 1 53 53 ASP CA C 13 54.188 0.3 . 1 . . . . 53 ASP CA . 18031 1 174 . 1 1 53 53 ASP N N 15 119.041 0.3 . 1 . . . . 53 ASP N . 18031 1 175 . 1 1 54 54 GLU H H 1 7.566 0.020 . 1 . . . . 54 GLU H . 18031 1 176 . 1 1 54 54 GLU C C 13 175.563 0.3 . 1 . . . . 54 GLU C . 18031 1 177 . 1 1 54 54 GLU CA C 13 55.792 0.3 . 1 . . . . 54 GLU CA . 18031 1 178 . 1 1 54 54 GLU N N 15 121.062 0.3 . 1 . . . . 54 GLU N . 18031 1 179 . 1 1 55 55 LEU H H 1 8.249 0.020 . 1 . . . . 55 LEU H . 18031 1 180 . 1 1 55 55 LEU C C 13 175.755 0.3 . 1 . . . . 55 LEU C . 18031 1 181 . 1 1 55 55 LEU CA C 13 55.759 0.3 . 1 . . . . 55 LEU CA . 18031 1 182 . 1 1 55 55 LEU N N 15 120.480 0.3 . 1 . . . . 55 LEU N . 18031 1 183 . 1 1 56 56 ALA H H 1 8.410 0.020 . 1 . . . . 56 ALA H . 18031 1 184 . 1 1 56 56 ALA C C 13 176.879 0.3 . 1 . . . . 56 ALA C . 18031 1 185 . 1 1 56 56 ALA CA C 13 52.958 0.3 . 1 . . . . 56 ALA CA . 18031 1 186 . 1 1 56 56 ALA N N 15 120.109 0.3 . 1 . . . . 56 ALA N . 18031 1 187 . 1 1 57 57 TYR H H 1 7.561 0.020 . 1 . . . . 57 TYR H . 18031 1 188 . 1 1 57 57 TYR C C 13 175.422 0.3 . 1 . . . . 57 TYR C . 18031 1 189 . 1 1 57 57 TYR CA C 13 57.926 0.3 . 1 . . . . 57 TYR CA . 18031 1 190 . 1 1 57 57 TYR N N 15 118.744 0.3 . 1 . . . . 57 TYR N . 18031 1 191 . 1 1 58 58 PHE H H 1 8.229 0.020 . 1 . . . . 58 PHE H . 18031 1 192 . 1 1 58 58 PHE C C 13 176.356 0.3 . 1 . . . . 58 PHE C . 18031 1 193 . 1 1 58 58 PHE CA C 13 59.927 0.3 . 1 . . . . 58 PHE CA . 18031 1 194 . 1 1 58 58 PHE N N 15 118.565 0.3 . 1 . . . . 58 PHE N . 18031 1 195 . 1 1 59 59 ILE H H 1 8.803 0.020 . 1 . . . . 59 ILE H . 18031 1 196 . 1 1 59 59 ILE C C 13 175.081 0.3 . 1 . . . . 59 ILE C . 18031 1 197 . 1 1 59 59 ILE CA C 13 60.307 0.3 . 1 . . . . 59 ILE CA . 18031 1 198 . 1 1 59 59 ILE N N 15 121.595 0.3 . 1 . . . . 59 ILE N . 18031 1 199 . 1 1 60 60 GLU H H 1 8.148 0.020 . 1 . . . . 60 GLU H . 18031 1 200 . 1 1 60 60 GLU C C 13 175.397 0.3 . 1 . . . . 60 GLU C . 18031 1 201 . 1 1 60 60 GLU CA C 13 56.545 0.3 . 1 . . . . 60 GLU CA . 18031 1 202 . 1 1 60 60 GLU N N 15 119.929 0.3 . 1 . . . . 60 GLU N . 18031 1 203 . 1 1 61 61 ARG H H 1 7.826 0.020 . 1 . . . . 61 ARG H . 18031 1 204 . 1 1 61 61 ARG C C 13 176.033 0.3 . 1 . . . . 61 ARG C . 18031 1 205 . 1 1 61 61 ARG CA C 13 55.452 0.3 . 1 . . . . 61 ARG CA . 18031 1 206 . 1 1 61 61 ARG N N 15 115.408 0.3 . 1 . . . . 61 ARG N . 18031 1 207 . 1 1 62 62 GLU H H 1 8.461 0.020 . 1 . . . . 62 GLU H . 18031 1 208 . 1 1 62 62 GLU C C 13 175.697 0.3 . 1 . . . . 62 GLU C . 18031 1 209 . 1 1 62 62 GLU CA C 13 54.803 0.3 . 1 . . . . 62 GLU CA . 18031 1 210 . 1 1 62 62 GLU N N 15 114.500 0.3 . 1 . . . . 62 GLU N . 18031 1 211 . 1 1 63 63 LEU H H 1 8.142 0.020 . 1 . . . . 63 LEU H . 18031 1 212 . 1 1 63 63 LEU C C 13 173.600 0.3 . 1 . . . . 63 LEU C . 18031 1 213 . 1 1 63 63 LEU CA C 13 51.387 0.3 . 1 . . . . 63 LEU CA . 18031 1 214 . 1 1 63 63 LEU N N 15 116.689 0.3 . 1 . . . . 63 LEU N . 18031 1 215 . 1 1 64 64 LYS H H 1 7.008 0.020 . 1 . . . . 64 LYS H . 18031 1 216 . 1 1 64 64 LYS C C 13 175.206 0.3 . 1 . . . . 64 LYS C . 18031 1 217 . 1 1 64 64 LYS CA C 13 55.759 0.3 . 1 . . . . 64 LYS CA . 18031 1 218 . 1 1 64 64 LYS N N 15 120.128 0.3 . 1 . . . . 64 LYS N . 18031 1 219 . 1 1 65 65 GLY H H 1 8.670 0.020 . 1 . . . . 65 GLY H . 18031 1 220 . 1 1 65 65 GLY C C 13 171.651 0.3 . 1 . . . . 65 GLY C . 18031 1 221 . 1 1 65 65 GLY CA C 13 42.335 0.3 . 1 . . . . 65 GLY CA . 18031 1 222 . 1 1 65 65 GLY N N 15 113.316 0.3 . 1 . . . . 65 GLY N . 18031 1 223 . 1 1 66 66 LYS H H 1 7.904 0.020 . 1 . . . . 66 LYS H . 18031 1 224 . 1 1 66 66 LYS C C 13 172.213 0.3 . 1 . . . . 66 LYS C . 18031 1 225 . 1 1 66 66 LYS CA C 13 51.865 0.3 . 1 . . . . 66 LYS CA . 18031 1 226 . 1 1 66 66 LYS N N 15 120.419 0.3 . 1 . . . . 66 LYS N . 18031 1 227 . 1 1 67 67 ASN H H 1 7.966 0.020 . 1 . . . . 67 ASN H . 18031 1 228 . 1 1 67 67 ASN C C 13 171.554 0.3 . 1 . . . . 67 ASN C . 18031 1 229 . 1 1 67 67 ASN CA C 13 48.210 0.3 . 1 . . . . 67 ASN CA . 18031 1 230 . 1 1 67 67 ASN N N 15 118.688 0.3 . 1 . . . . 67 ASN N . 18031 1 231 . 1 1 68 68 ALA H H 1 8.208 0.020 . 1 . . . . 68 ALA H . 18031 1 232 . 1 1 68 68 ALA C C 13 171.692 0.3 . 1 . . . . 68 ALA C . 18031 1 233 . 1 1 68 68 ALA CA C 13 48.000 0.3 . 1 . . . . 68 ALA CA . 18031 1 234 . 1 1 68 68 ALA N N 15 125.624 0.3 . 1 . . . . 68 ALA N . 18031 1 235 . 1 1 69 69 VAL H H 1 8.994 0.020 . 1 . . . . 69 VAL H . 18031 1 236 . 1 1 69 69 VAL C C 13 170.664 0.3 . 1 . . . . 69 VAL C . 18031 1 237 . 1 1 69 69 VAL CA C 13 57.877 0.3 . 1 . . . . 69 VAL CA . 18031 1 238 . 1 1 69 69 VAL N N 15 122.094 0.3 . 1 . . . . 69 VAL N . 18031 1 239 . 1 1 70 70 LEU H H 1 9.514 0.020 . 1 . . . . 70 LEU H . 18031 1 240 . 1 1 70 70 LEU C C 13 170.668 0.3 . 1 . . . . 70 LEU C . 18031 1 241 . 1 1 70 70 LEU CA C 13 50.473 0.3 . 1 . . . . 70 LEU CA . 18031 1 242 . 1 1 70 70 LEU N N 15 126.767 0.3 . 1 . . . . 70 LEU N . 18031 1 243 . 1 1 71 71 ASP H H 1 8.426 0.020 . 1 . . . . 71 ASP H . 18031 1 244 . 1 1 71 71 ASP C C 13 174.819 0.3 . 1 . . . . 71 ASP C . 18031 1 245 . 1 1 71 71 ASP CA C 13 49.214 0.3 . 1 . . . . 71 ASP CA . 18031 1 246 . 1 1 71 71 ASP N N 15 122.300 0.3 . 1 . . . . 71 ASP N . 18031 1 247 . 1 1 79 79 PRO C C 13 172.208 0.3 . 1 . . . . 79 PRO C . 18031 1 248 . 1 1 79 79 PRO CA C 13 59.952 0.3 . 1 . . . . 79 PRO CA . 18031 1 249 . 1 1 80 80 VAL H H 1 7.799 0.020 . 1 . . . . 80 VAL H . 18031 1 250 . 1 1 80 80 VAL C C 13 171.759 0.3 . 1 . . . . 80 VAL C . 18031 1 251 . 1 1 80 80 VAL CA C 13 56.801 0.3 . 1 . . . . 80 VAL CA . 18031 1 252 . 1 1 80 80 VAL N N 15 114.158 0.3 . 1 . . . . 80 VAL N . 18031 1 253 . 1 1 81 81 ASP H H 1 8.399 0.020 . 1 . . . . 81 ASP H . 18031 1 254 . 1 1 81 81 ASP C C 13 173.271 0.3 . 1 . . . . 81 ASP C . 18031 1 255 . 1 1 81 81 ASP CA C 13 53.676 0.3 . 1 . . . . 81 ASP CA . 18031 1 256 . 1 1 81 81 ASP N N 15 117.871 0.3 . 1 . . . . 81 ASP N . 18031 1 257 . 1 1 82 82 LEU H H 1 7.593 0.020 . 1 . . . . 82 LEU H . 18031 1 258 . 1 1 82 82 LEU C C 13 171.029 0.3 . 1 . . . . 82 LEU C . 18031 1 259 . 1 1 82 82 LEU CA C 13 51.694 0.3 . 1 . . . . 82 LEU CA . 18031 1 260 . 1 1 82 82 LEU N N 15 120.128 0.3 . 1 . . . . 82 LEU N . 18031 1 261 . 1 1 83 83 VAL H H 1 8.591 0.020 . 1 . . . . 83 VAL H . 18031 1 262 . 1 1 83 83 VAL C C 13 170.830 0.3 . 1 . . . . 83 VAL C . 18031 1 263 . 1 1 83 83 VAL CA C 13 57.669 0.3 . 1 . . . . 83 VAL CA . 18031 1 264 . 1 1 83 83 VAL N N 15 125.334 0.3 . 1 . . . . 83 VAL N . 18031 1 265 . 1 1 84 84 VAL H H 1 9.393 0.020 . 1 . . . . 84 VAL H . 18031 1 266 . 1 1 84 84 VAL C C 13 171.932 0.3 . 1 . . . . 84 VAL C . 18031 1 267 . 1 1 84 84 VAL CA C 13 57.222 0.3 . 1 . . . . 84 VAL CA . 18031 1 268 . 1 1 84 84 VAL N N 15 128.758 0.3 . 1 . . . . 84 VAL N . 18031 1 269 . 1 1 85 85 VAL H H 1 9.055 0.020 . 1 . . . . 85 VAL H . 18031 1 270 . 1 1 85 85 VAL C C 13 172.372 0.3 . 1 . . . . 85 VAL C . 18031 1 271 . 1 1 85 85 VAL CA C 13 57.399 0.3 . 1 . . . . 85 VAL CA . 18031 1 272 . 1 1 85 85 VAL N N 15 127.470 0.3 . 1 . . . . 85 VAL N . 18031 1 273 . 1 1 86 86 LEU H H 1 8.556 0.020 . 1 . . . . 86 LEU H . 18031 1 274 . 1 1 86 86 LEU C C 13 173.177 0.3 . 1 . . . . 86 LEU C . 18031 1 275 . 1 1 86 86 LEU CA C 13 50.772 0.3 . 1 . . . . 86 LEU CA . 18031 1 276 . 1 1 86 86 LEU N N 15 126.679 0.3 . 1 . . . . 86 LEU N . 18031 1 277 . 1 1 87 87 ARG H H 1 9.037 0.020 . 1 . . . . 87 ARG H . 18031 1 278 . 1 1 87 87 ARG C C 13 174.632 0.3 . 1 . . . . 87 ARG C . 18031 1 279 . 1 1 87 87 ARG CA C 13 48.426 0.3 . 1 . . . . 87 ARG CA . 18031 1 280 . 1 1 87 87 ARG N N 15 118.648 0.3 . 1 . . . . 87 ARG N . 18031 1 281 . 1 1 88 88 ALA H H 1 8.517 0.020 . 1 . . . . 88 ALA H . 18031 1 282 . 1 1 88 88 ALA C C 13 170.601 0.3 . 1 . . . . 88 ALA C . 18031 1 283 . 1 1 88 88 ALA CA C 13 49.294 0.3 . 1 . . . . 88 ALA CA . 18031 1 284 . 1 1 88 88 ALA N N 15 123.782 0.3 . 1 . . . . 88 ALA N . 18031 1 285 . 1 1 89 89 HIS H H 1 7.714 0.020 . 1 . . . . 89 HIS H . 18031 1 286 . 1 1 89 89 HIS C C 13 173.468 0.3 . 1 . . . . 89 HIS C . 18031 1 287 . 1 1 89 89 HIS CA C 13 51.281 0.3 . 1 . . . . 89 HIS CA . 18031 1 288 . 1 1 89 89 HIS N N 15 122.472 0.3 . 1 . . . . 89 HIS N . 18031 1 289 . 1 1 90 90 PRO C C 13 174.593 0.3 . 1 . . . . 90 PRO C . 18031 1 290 . 1 1 90 90 PRO CA C 13 62.389 0.3 . 1 . . . . 90 PRO CA . 18031 1 291 . 1 1 91 91 LYS H H 1 10.545 0.020 . 1 . . . . 91 LYS H . 18031 1 292 . 1 1 91 91 LYS C C 13 175.237 0.3 . 1 . . . . 91 LYS C . 18031 1 293 . 1 1 91 91 LYS CA C 13 56.282 0.3 . 1 . . . . 91 LYS CA . 18031 1 294 . 1 1 91 91 LYS N N 15 119.822 0.3 . 1 . . . . 91 LYS N . 18031 1 295 . 1 1 92 92 LEU H H 1 7.680 0.020 . 1 . . . . 92 LEU H . 18031 1 296 . 1 1 92 92 LEU C C 13 177.039 0.3 . 1 . . . . 92 LEU C . 18031 1 297 . 1 1 92 92 LEU CA C 13 54.120 0.3 . 1 . . . . 92 LEU CA . 18031 1 298 . 1 1 92 92 LEU N N 15 120.030 0.3 . 1 . . . . 92 LEU N . 18031 1 299 . 1 1 93 93 ILE H H 1 6.789 0.020 . 1 . . . . 93 ILE H . 18031 1 300 . 1 1 93 93 ILE C C 13 174.941 0.3 . 1 . . . . 93 ILE C . 18031 1 301 . 1 1 93 93 ILE CA C 13 60.952 0.3 . 1 . . . . 93 ILE CA . 18031 1 302 . 1 1 93 93 ILE N N 15 118.078 0.3 . 1 . . . . 93 ILE N . 18031 1 303 . 1 1 94 94 GLY H H 1 7.811 0.020 . 1 . . . . 94 GLY H . 18031 1 304 . 1 1 94 94 GLY C C 13 172.518 0.3 . 1 . . . . 94 GLY C . 18031 1 305 . 1 1 94 94 GLY CA C 13 44.521 0.3 . 1 . . . . 94 GLY CA . 18031 1 306 . 1 1 94 94 GLY N N 15 105.124 0.3 . 1 . . . . 94 GLY N . 18031 1 307 . 1 1 95 95 GLU H H 1 7.951 0.020 . 1 . . . . 95 GLU H . 18031 1 308 . 1 1 95 95 GLU C C 13 177.097 0.3 . 1 . . . . 95 GLU C . 18031 1 309 . 1 1 95 95 GLU CA C 13 56.076 0.3 . 1 . . . . 95 GLU CA . 18031 1 310 . 1 1 95 95 GLU N N 15 119.985 0.3 . 1 . . . . 95 GLU N . 18031 1 311 . 1 1 96 96 ARG H H 1 8.342 0.020 . 1 . . . . 96 ARG H . 18031 1 312 . 1 1 96 96 ARG C C 13 177.420 0.3 . 1 . . . . 96 ARG C . 18031 1 313 . 1 1 96 96 ARG CA C 13 56.383 0.3 . 1 . . . . 96 ARG CA . 18031 1 314 . 1 1 96 96 ARG N N 15 120.280 0.3 . 1 . . . . 96 ARG N . 18031 1 315 . 1 1 97 97 LEU H H 1 8.404 0.020 . 1 . . . . 97 LEU H . 18031 1 316 . 1 1 97 97 LEU C C 13 176.898 0.3 . 1 . . . . 97 LEU C . 18031 1 317 . 1 1 97 97 LEU CA C 13 54.299 0.3 . 1 . . . . 97 LEU CA . 18031 1 318 . 1 1 97 97 LEU N N 15 117.821 0.3 . 1 . . . . 97 LEU N . 18031 1 319 . 1 1 98 98 ARG H H 1 8.222 0.020 . 1 . . . . 98 ARG H . 18031 1 320 . 1 1 98 98 ARG C C 13 178.575 0.3 . 1 . . . . 98 ARG C . 18031 1 321 . 1 1 98 98 ARG CA C 13 57.028 0.3 . 1 . . . . 98 ARG CA . 18031 1 322 . 1 1 98 98 ARG N N 15 122.068 0.3 . 1 . . . . 98 ARG N . 18031 1 323 . 1 1 99 99 GLU H H 1 7.974 0.020 . 1 . . . . 99 GLU H . 18031 1 324 . 1 1 99 99 GLU C C 13 175.374 0.3 . 1 . . . . 99 GLU C . 18031 1 325 . 1 1 99 99 GLU CA C 13 56.022 0.3 . 1 . . . . 99 GLU CA . 18031 1 326 . 1 1 99 99 GLU N N 15 121.244 0.3 . 1 . . . . 99 GLU N . 18031 1 327 . 1 1 100 100 ARG H H 1 7.357 0.020 . 1 . . . . 100 ARG H . 18031 1 328 . 1 1 100 100 ARG C C 13 173.918 0.3 . 1 . . . . 100 ARG C . 18031 1 329 . 1 1 100 100 ARG CA C 13 53.554 0.3 . 1 . . . . 100 ARG CA . 18031 1 330 . 1 1 100 100 ARG N N 15 116.465 0.3 . 1 . . . . 100 ARG N . 18031 1 331 . 1 1 101 101 GLY H H 1 7.828 0.020 . 1 . . . . 101 GLY H . 18031 1 332 . 1 1 101 101 GLY C C 13 172.624 0.3 . 1 . . . . 101 GLY C . 18031 1 333 . 1 1 101 101 GLY CA C 13 42.466 0.3 . 1 . . . . 101 GLY CA . 18031 1 334 . 1 1 101 101 GLY N N 15 106.293 0.3 . 1 . . . . 101 GLY N . 18031 1 335 . 1 1 102 102 TYR H H 1 7.591 0.020 . 1 . . . . 102 TYR H . 18031 1 336 . 1 1 102 102 TYR C C 13 172.710 0.3 . 1 . . . . 102 TYR C . 18031 1 337 . 1 1 102 102 TYR CA C 13 54.254 0.3 . 1 . . . . 102 TYR CA . 18031 1 338 . 1 1 102 102 TYR N N 15 120.639 0.3 . 1 . . . . 102 TYR N . 18031 1 339 . 1 1 103 103 ASP H H 1 8.362 0.020 . 1 . . . . 103 ASP H . 18031 1 340 . 1 1 103 103 ASP C C 13 173.990 0.3 . 1 . . . . 103 ASP C . 18031 1 341 . 1 1 103 103 ASP CA C 13 50.533 0.3 . 1 . . . . 103 ASP CA . 18031 1 342 . 1 1 103 103 ASP N N 15 119.065 0.3 . 1 . . . . 103 ASP N . 18031 1 343 . 1 1 104 104 ARG H H 1 8.635 0.020 . 1 . . . . 104 ARG H . 18031 1 344 . 1 1 104 104 ARG C C 13 176.454 0.3 . 1 . . . . 104 ARG C . 18031 1 345 . 1 1 104 104 ARG CA C 13 56.934 0.3 . 1 . . . . 104 ARG CA . 18031 1 346 . 1 1 104 104 ARG N N 15 119.942 0.3 . 1 . . . . 104 ARG N . 18031 1 347 . 1 1 105 105 GLU H H 1 8.807 0.020 . 1 . . . . 105 GLU H . 18031 1 348 . 1 1 105 105 GLU C C 13 176.176 0.3 . 1 . . . . 105 GLU C . 18031 1 349 . 1 1 105 105 GLU CA C 13 56.836 0.3 . 1 . . . . 105 GLU CA . 18031 1 350 . 1 1 105 105 GLU N N 15 120.974 0.3 . 1 . . . . 105 GLU N . 18031 1 351 . 1 1 106 106 LYS H H 1 7.914 0.020 . 1 . . . . 106 LYS H . 18031 1 352 . 1 1 106 106 LYS C C 13 177.570 0.3 . 1 . . . . 106 LYS C . 18031 1 353 . 1 1 106 106 LYS CA C 13 55.185 0.3 . 1 . . . . 106 LYS CA . 18031 1 354 . 1 1 106 106 LYS N N 15 121.262 0.3 . 1 . . . . 106 LYS N . 18031 1 355 . 1 1 107 107 ILE H H 1 8.461 0.020 . 1 . . . . 107 ILE H . 18031 1 356 . 1 1 107 107 ILE C C 13 175.618 0.3 . 1 . . . . 107 ILE C . 18031 1 357 . 1 1 107 107 ILE CA C 13 64.016 0.3 . 1 . . . . 107 ILE CA . 18031 1 358 . 1 1 107 107 ILE N N 15 120.202 0.3 . 1 . . . . 107 ILE N . 18031 1 359 . 1 1 108 108 GLY H H 1 8.184 0.020 . 1 . . . . 108 GLY H . 18031 1 360 . 1 1 108 108 GLY C C 13 173.441 0.3 . 1 . . . . 108 GLY C . 18031 1 361 . 1 1 108 108 GLY CA C 13 44.944 0.3 . 1 . . . . 108 GLY CA . 18031 1 362 . 1 1 108 108 GLY N N 15 106.177 0.3 . 1 . . . . 108 GLY N . 18031 1 363 . 1 1 109 109 GLU H H 1 8.130 0.020 . 1 . . . . 109 GLU H . 18031 1 364 . 1 1 109 109 GLU C C 13 176.677 0.3 . 1 . . . . 109 GLU C . 18031 1 365 . 1 1 109 109 GLU CA C 13 56.293 0.3 . 1 . . . . 109 GLU CA . 18031 1 366 . 1 1 109 109 GLU N N 15 120.801 0.3 . 1 . . . . 109 GLU N . 18031 1 367 . 1 1 110 110 ASN H H 1 7.534 0.020 . 1 . . . . 110 ASN H . 18031 1 368 . 1 1 110 110 ASN C C 13 173.607 0.3 . 1 . . . . 110 ASN C . 18031 1 369 . 1 1 110 110 ASN CA C 13 53.967 0.3 . 1 . . . . 110 ASN CA . 18031 1 370 . 1 1 110 110 ASN N N 15 118.849 0.3 . 1 . . . . 110 ASN N . 18031 1 371 . 1 1 111 111 VAL H H 1 8.687 0.020 . 1 . . . . 111 VAL H . 18031 1 372 . 1 1 111 111 VAL C C 13 175.369 0.3 . 1 . . . . 111 VAL C . 18031 1 373 . 1 1 111 111 VAL CA C 13 64.743 0.3 . 1 . . . . 111 VAL CA . 18031 1 374 . 1 1 111 111 VAL N N 15 122.262 0.3 . 1 . . . . 111 VAL N . 18031 1 375 . 1 1 112 112 GLU H H 1 8.217 0.020 . 1 . . . . 112 GLU H . 18031 1 376 . 1 1 112 112 GLU C C 13 174.681 0.3 . 1 . . . . 112 GLU C . 18031 1 377 . 1 1 112 112 GLU CA C 13 56.750 0.3 . 1 . . . . 112 GLU CA . 18031 1 378 . 1 1 112 112 GLU N N 15 118.724 0.3 . 1 . . . . 112 GLU N . 18031 1 379 . 1 1 113 113 ALA H H 1 7.926 0.020 . 1 . . . . 113 ALA H . 18031 1 380 . 1 1 113 113 ALA C C 13 179.724 0.3 . 1 . . . . 113 ALA C . 18031 1 381 . 1 1 113 113 ALA CA C 13 52.036 0.3 . 1 . . . . 113 ALA CA . 18031 1 382 . 1 1 113 113 ALA N N 15 119.624 0.3 . 1 . . . . 113 ALA N . 18031 1 383 . 1 1 114 114 GLU H H 1 8.213 0.020 . 1 . . . . 114 GLU H . 18031 1 384 . 1 1 114 114 GLU C C 13 176.239 0.3 . 1 . . . . 114 GLU C . 18031 1 385 . 1 1 114 114 GLU CA C 13 56.084 0.3 . 1 . . . . 114 GLU CA . 18031 1 386 . 1 1 114 114 GLU N N 15 121.106 0.3 . 1 . . . . 114 GLU N . 18031 1 387 . 1 1 115 115 LEU H H 1 8.085 0.020 . 1 . . . . 115 LEU H . 18031 1 388 . 1 1 115 115 LEU C C 13 175.470 0.3 . 1 . . . . 115 LEU C . 18031 1 389 . 1 1 115 115 LEU CA C 13 56.135 0.3 . 1 . . . . 115 LEU CA . 18031 1 390 . 1 1 115 115 LEU N N 15 121.482 0.3 . 1 . . . . 115 LEU N . 18031 1 391 . 1 1 116 116 VAL H H 1 7.947 0.020 . 1 . . . . 116 VAL H . 18031 1 392 . 1 1 116 116 VAL C C 13 173.086 0.3 . 1 . . . . 116 VAL C . 18031 1 393 . 1 1 116 116 VAL CA C 13 57.502 0.3 . 1 . . . . 116 VAL CA . 18031 1 394 . 1 1 116 116 VAL N N 15 108.485 0.3 . 1 . . . . 116 VAL N . 18031 1 395 . 1 1 117 117 ASP H H 1 7.732 0.020 . 1 . . . . 117 ASP H . 18031 1 396 . 1 1 117 117 ASP C C 13 173.484 0.3 . 1 . . . . 117 ASP C . 18031 1 397 . 1 1 117 117 ASP CA C 13 51.884 0.3 . 1 . . . . 117 ASP CA . 18031 1 398 . 1 1 117 117 ASP N N 15 116.015 0.3 . 1 . . . . 117 ASP N . 18031 1 399 . 1 1 118 118 ALA H H 1 7.989 0.020 . 1 . . . . 118 ALA H . 18031 1 400 . 1 1 118 118 ALA C C 13 177.964 0.3 . 1 . . . . 118 ALA C . 18031 1 401 . 1 1 118 118 ALA CA C 13 54.325 0.3 . 1 . . . . 118 ALA CA . 18031 1 402 . 1 1 118 118 ALA N N 15 117.889 0.3 . 1 . . . . 118 ALA N . 18031 1 403 . 1 1 119 119 VAL H H 1 8.691 0.020 . 1 . . . . 119 VAL H . 18031 1 404 . 1 1 119 119 VAL C C 13 174.391 0.3 . 1 . . . . 119 VAL C . 18031 1 405 . 1 1 119 119 VAL CA C 13 63.480 0.3 . 1 . . . . 119 VAL CA . 18031 1 406 . 1 1 119 119 VAL N N 15 117.505 0.3 . 1 . . . . 119 VAL N . 18031 1 407 . 1 1 120 120 LEU H H 1 7.856 0.020 . 1 . . . . 120 LEU H . 18031 1 408 . 1 1 120 120 LEU C C 13 175.223 0.3 . 1 . . . . 120 LEU C . 18031 1 409 . 1 1 120 120 LEU CA C 13 55.691 0.3 . 1 . . . . 120 LEU CA . 18031 1 410 . 1 1 120 120 LEU N N 15 120.843 0.3 . 1 . . . . 120 LEU N . 18031 1 411 . 1 1 121 121 ILE H H 1 8.381 0.020 . 1 . . . . 121 ILE H . 18031 1 412 . 1 1 121 121 ILE C C 13 175.987 0.3 . 1 . . . . 121 ILE C . 18031 1 413 . 1 1 121 121 ILE CA C 13 62.089 0.3 . 1 . . . . 121 ILE CA . 18031 1 414 . 1 1 121 121 ILE N N 15 116.858 0.3 . 1 . . . . 121 ILE N . 18031 1 415 . 1 1 122 122 GLU H H 1 7.628 0.020 . 1 . . . . 122 GLU H . 18031 1 416 . 1 1 122 122 GLU C C 13 176.593 0.3 . 1 . . . . 122 GLU C . 18031 1 417 . 1 1 122 122 GLU CA C 13 56.340 0.3 . 1 . . . . 122 GLU CA . 18031 1 418 . 1 1 122 122 GLU N N 15 119.558 0.3 . 1 . . . . 122 GLU N . 18031 1 419 . 1 1 123 123 ALA H H 1 8.753 0.020 . 1 . . . . 123 ALA H . 18031 1 420 . 1 1 123 123 ALA C C 13 176.260 0.3 . 1 . . . . 123 ALA C . 18031 1 421 . 1 1 123 123 ALA CA C 13 53.129 0.3 . 1 . . . . 123 ALA CA . 18031 1 422 . 1 1 123 123 ALA N N 15 120.806 0.3 . 1 . . . . 123 ALA N . 18031 1 423 . 1 1 124 124 ILE H H 1 8.478 0.020 . 1 . . . . 124 ILE H . 18031 1 424 . 1 1 124 124 ILE C C 13 175.337 0.3 . 1 . . . . 124 ILE C . 18031 1 425 . 1 1 124 124 ILE CA C 13 60.610 0.3 . 1 . . . . 124 ILE CA . 18031 1 426 . 1 1 124 124 ILE N N 15 115.172 0.3 . 1 . . . . 124 ILE N . 18031 1 427 . 1 1 125 125 GLU H H 1 7.744 0.020 . 1 . . . . 125 GLU H . 18031 1 428 . 1 1 125 125 GLU C C 13 175.390 0.3 . 1 . . . . 125 GLU C . 18031 1 429 . 1 1 125 125 GLU CA C 13 55.338 0.3 . 1 . . . . 125 GLU CA . 18031 1 430 . 1 1 125 125 GLU N N 15 119.407 0.3 . 1 . . . . 125 GLU N . 18031 1 431 . 1 1 126 126 GLU H H 1 7.419 0.020 . 1 . . . . 126 GLU H . 18031 1 432 . 1 1 126 126 GLU C C 13 173.789 0.3 . 1 . . . . 126 GLU C . 18031 1 433 . 1 1 126 126 GLU CA C 13 53.639 0.3 . 1 . . . . 126 GLU CA . 18031 1 434 . 1 1 126 126 GLU N N 15 116.256 0.3 . 1 . . . . 126 GLU N . 18031 1 435 . 1 1 127 127 HIS H H 1 8.320 0.020 . 1 . . . . 127 HIS H . 18031 1 436 . 1 1 127 127 HIS C C 13 170.366 0.3 . 1 . . . . 127 HIS C . 18031 1 437 . 1 1 127 127 HIS CA C 13 51.826 0.3 . 1 . . . . 127 HIS CA . 18031 1 438 . 1 1 127 127 HIS N N 15 116.340 0.3 . 1 . . . . 127 HIS N . 18031 1 439 . 1 1 128 128 GLU H H 1 8.368 0.020 . 1 . . . . 128 GLU H . 18031 1 440 . 1 1 128 128 GLU C C 13 174.796 0.3 . 1 . . . . 128 GLU C . 18031 1 441 . 1 1 128 128 GLU CA C 13 55.022 0.3 . 1 . . . . 128 GLU CA . 18031 1 442 . 1 1 128 128 GLU N N 15 119.150 0.3 . 1 . . . . 128 GLU N . 18031 1 443 . 1 1 129 129 ASN H H 1 8.101 0.020 . 1 . . . . 129 ASN H . 18031 1 444 . 1 1 129 129 ASN C C 13 170.716 0.3 . 1 . . . . 129 ASN C . 18031 1 445 . 1 1 129 129 ASN CA C 13 49.782 0.3 . 1 . . . . 129 ASN CA . 18031 1 446 . 1 1 129 129 ASN N N 15 117.952 0.3 . 1 . . . . 129 ASN N . 18031 1 447 . 1 1 130 130 VAL H H 1 6.989 0.020 . 1 . . . . 130 VAL H . 18031 1 448 . 1 1 130 130 VAL C C 13 171.297 0.3 . 1 . . . . 130 VAL C . 18031 1 449 . 1 1 130 130 VAL CA C 13 57.194 0.3 . 1 . . . . 130 VAL CA . 18031 1 450 . 1 1 130 130 VAL N N 15 124.159 0.3 . 1 . . . . 130 VAL N . 18031 1 451 . 1 1 131 131 ILE H H 1 9.296 0.020 . 1 . . . . 131 ILE H . 18031 1 452 . 1 1 131 131 ILE C C 13 170.259 0.3 . 1 . . . . 131 ILE C . 18031 1 453 . 1 1 131 131 ILE CA C 13 57.002 0.3 . 1 . . . . 131 ILE CA . 18031 1 454 . 1 1 131 131 ILE N N 15 125.231 0.3 . 1 . . . . 131 ILE N . 18031 1 455 . 1 1 132 132 GLU H H 1 9.006 0.020 . 1 . . . . 132 GLU H . 18031 1 456 . 1 1 132 132 GLU C C 13 173.136 0.3 . 1 . . . . 132 GLU C . 18031 1 457 . 1 1 132 132 GLU CA C 13 51.250 0.3 . 1 . . . . 132 GLU CA . 18031 1 458 . 1 1 132 132 GLU N N 15 130.003 0.3 . 1 . . . . 132 GLU N . 18031 1 459 . 1 1 133 133 VAL H H 1 8.622 0.020 . 1 . . . . 133 VAL H . 18031 1 460 . 1 1 133 133 VAL C C 13 171.045 0.3 . 1 . . . . 133 VAL C . 18031 1 461 . 1 1 133 133 VAL CA C 13 58.287 0.3 . 1 . . . . 133 VAL CA . 18031 1 462 . 1 1 133 133 VAL N N 15 124.692 0.3 . 1 . . . . 133 VAL N . 18031 1 463 . 1 1 134 134 ASP H H 1 9.558 0.020 . 1 . . . . 134 ASP H . 18031 1 464 . 1 1 134 134 ASP C C 13 173.827 0.3 . 1 . . . . 134 ASP C . 18031 1 465 . 1 1 134 134 ASP CA C 13 50.606 0.3 . 1 . . . . 134 ASP CA . 18031 1 466 . 1 1 134 134 ASP N N 15 127.412 0.3 . 1 . . . . 134 ASP N . 18031 1 467 . 1 1 135 135 THR H H 1 8.837 0.020 . 1 . . . . 135 THR H . 18031 1 468 . 1 1 135 135 THR C C 13 171.947 0.3 . 1 . . . . 135 THR C . 18031 1 469 . 1 1 135 135 THR CA C 13 59.775 0.3 . 1 . . . . 135 THR CA . 18031 1 470 . 1 1 135 135 THR N N 15 118.021 0.3 . 1 . . . . 135 THR N . 18031 1 471 . 1 1 140 140 PRO C C 13 175.523 0.3 . 1 . . . . 140 PRO C . 18031 1 472 . 1 1 140 140 PRO CA C 13 62.956 0.3 . 1 . . . . 140 PRO CA . 18031 1 473 . 1 1 141 141 GLU H H 1 8.800 0.020 . 1 . . . . 141 GLU H . 18031 1 474 . 1 1 141 141 GLU C C 13 176.396 0.3 . 1 . . . . 141 GLU C . 18031 1 475 . 1 1 141 141 GLU CA C 13 57.777 0.3 . 1 . . . . 141 GLU CA . 18031 1 476 . 1 1 141 141 GLU N N 15 115.958 0.3 . 1 . . . . 141 GLU N . 18031 1 477 . 1 1 142 142 ASP H H 1 7.896 0.020 . 1 . . . . 142 ASP H . 18031 1 478 . 1 1 142 142 ASP C C 13 177.154 0.3 . 1 . . . . 142 ASP C . 18031 1 479 . 1 1 142 142 ASP CA C 13 54.393 0.3 . 1 . . . . 142 ASP CA . 18031 1 480 . 1 1 142 142 ASP N N 15 121.602 0.3 . 1 . . . . 142 ASP N . 18031 1 481 . 1 1 143 143 VAL H H 1 8.120 0.020 . 1 . . . . 143 VAL H . 18031 1 482 . 1 1 143 143 VAL C C 13 174.988 0.3 . 1 . . . . 143 VAL C . 18031 1 483 . 1 1 143 143 VAL CA C 13 63.676 0.3 . 1 . . . . 143 VAL CA . 18031 1 484 . 1 1 143 143 VAL N N 15 122.582 0.3 . 1 . . . . 143 VAL N . 18031 1 485 . 1 1 144 144 VAL H H 1 8.324 0.020 . 1 . . . . 144 VAL H . 18031 1 486 . 1 1 144 144 VAL C C 13 174.568 0.3 . 1 . . . . 144 VAL C . 18031 1 487 . 1 1 144 144 VAL CA C 13 64.755 0.3 . 1 . . . . 144 VAL CA . 18031 1 488 . 1 1 144 144 VAL N N 15 119.444 0.3 . 1 . . . . 144 VAL N . 18031 1 489 . 1 1 145 145 GLU H H 1 8.080 0.020 . 1 . . . . 145 GLU H . 18031 1 490 . 1 1 145 145 GLU C C 13 176.548 0.3 . 1 . . . . 145 GLU C . 18031 1 491 . 1 1 145 145 GLU CA C 13 56.169 0.3 . 1 . . . . 145 GLU CA . 18031 1 492 . 1 1 145 145 GLU N N 15 118.757 0.3 . 1 . . . . 145 GLU N . 18031 1 493 . 1 1 146 146 GLU H H 1 7.878 0.020 . 1 . . . . 146 GLU H . 18031 1 494 . 1 1 146 146 GLU C C 13 176.060 0.3 . 1 . . . . 146 GLU C . 18031 1 495 . 1 1 146 146 GLU CA C 13 56.750 0.3 . 1 . . . . 146 GLU CA . 18031 1 496 . 1 1 146 146 GLU N N 15 122.241 0.3 . 1 . . . . 146 GLU N . 18031 1 497 . 1 1 147 147 ILE H H 1 8.193 0.020 . 1 . . . . 147 ILE H . 18031 1 498 . 1 1 147 147 ILE C C 13 174.930 0.3 . 1 . . . . 147 ILE C . 18031 1 499 . 1 1 147 147 ILE CA C 13 63.480 0.3 . 1 . . . . 147 ILE CA . 18031 1 500 . 1 1 147 147 ILE N N 15 118.695 0.3 . 1 . . . . 147 ILE N . 18031 1 501 . 1 1 148 148 VAL H H 1 8.443 0.020 . 1 . . . . 148 VAL H . 18031 1 502 . 1 1 148 148 VAL CA C 13 64.129 0.3 . 1 . . . . 148 VAL CA . 18031 1 503 . 1 1 148 148 VAL N N 15 118.048 0.3 . 1 . . . . 148 VAL N . 18031 1 504 . 1 1 149 149 SER H H 1 8.204 0.020 . 1 . . . . 149 SER H . 18031 1 505 . 1 1 149 149 SER C C 13 174.990 0.3 . 1 . . . . 149 SER C . 18031 1 506 . 1 1 149 149 SER CA C 13 58.834 0.3 . 1 . . . . 149 SER CA . 18031 1 507 . 1 1 149 149 SER N N 15 115.545 0.3 . 1 . . . . 149 SER N . 18031 1 508 . 1 1 150 150 LEU H H 1 7.810 0.020 . 1 . . . . 150 LEU H . 18031 1 509 . 1 1 150 150 LEU C C 13 176.805 0.3 . 1 . . . . 150 LEU C . 18031 1 510 . 1 1 150 150 LEU CA C 13 55.486 0.3 . 1 . . . . 150 LEU CA . 18031 1 511 . 1 1 150 150 LEU N N 15 123.398 0.3 . 1 . . . . 150 LEU N . 18031 1 512 . 1 1 151 151 ILE H H 1 8.376 0.020 . 1 . . . . 151 ILE H . 18031 1 513 . 1 1 151 151 ILE C C 13 178.517 0.3 . 1 . . . . 151 ILE C . 18031 1 514 . 1 1 151 151 ILE CA C 13 62.694 0.3 . 1 . . . . 151 ILE CA . 18031 1 515 . 1 1 151 151 ILE N N 15 120.224 0.3 . 1 . . . . 151 ILE N . 18031 1 516 . 1 1 152 152 ASN H H 1 8.942 0.020 . 1 . . . . 152 ASN H . 18031 1 517 . 1 1 152 152 ASN C C 13 174.457 0.3 . 1 . . . . 152 ASN C . 18031 1 518 . 1 1 152 152 ASN CA C 13 52.241 0.3 . 1 . . . . 152 ASN CA . 18031 1 519 . 1 1 152 152 ASN N N 15 119.783 0.3 . 1 . . . . 152 ASN N . 18031 1 520 . 1 1 153 153 SER H H 1 7.722 0.020 . 1 . . . . 153 SER H . 18031 1 521 . 1 1 153 153 SER C C 13 171.771 0.3 . 1 . . . . 153 SER C . 18031 1 522 . 1 1 153 153 SER CA C 13 56.301 0.3 . 1 . . . . 153 SER CA . 18031 1 523 . 1 1 153 153 SER N N 15 114.619 0.3 . 1 . . . . 153 SER N . 18031 1 524 . 1 1 154 154 GLY H H 1 7.848 0.020 . 1 . . . . 154 GLY H . 18031 1 525 . 1 1 154 154 GLY C C 13 171.555 0.3 . 1 . . . . 154 GLY C . 18031 1 526 . 1 1 154 154 GLY CA C 13 42.642 0.3 . 1 . . . . 154 GLY CA . 18031 1 527 . 1 1 154 154 GLY N N 15 109.356 0.3 . 1 . . . . 154 GLY N . 18031 1 528 . 1 1 155 155 ILE H H 1 7.696 0.020 . 1 . . . . 155 ILE H . 18031 1 529 . 1 1 155 155 ILE C C 13 172.120 0.3 . 1 . . . . 155 ILE C . 18031 1 530 . 1 1 155 155 ILE CA C 13 57.911 0.3 . 1 . . . . 155 ILE CA . 18031 1 531 . 1 1 155 155 ILE N N 15 122.260 0.3 . 1 . . . . 155 ILE N . 18031 1 532 . 1 1 156 156 LYS H H 1 8.222 0.020 . 1 . . . . 156 LYS H . 18031 1 533 . 1 1 156 156 LYS C C 13 170.774 0.3 . 1 . . . . 156 LYS C . 18031 1 534 . 1 1 156 156 LYS CA C 13 52.689 0.3 . 1 . . . . 156 LYS CA . 18031 1 535 . 1 1 156 156 LYS N N 15 124.161 0.3 . 1 . . . . 156 LYS N . 18031 1 536 . 1 1 157 157 LYS H H 1 6.998 0.020 . 1 . . . . 157 LYS H . 18031 1 537 . 1 1 157 157 LYS C C 13 172.995 0.3 . 1 . . . . 157 LYS C . 18031 1 538 . 1 1 157 157 LYS CA C 13 51.592 0.3 . 1 . . . . 157 LYS CA . 18031 1 539 . 1 1 157 157 LYS N N 15 114.990 0.3 . 1 . . . . 157 LYS N . 18031 1 540 . 1 1 158 158 ARG H H 1 9.015 0.020 . 1 . . . . 158 ARG H . 18031 1 541 . 1 1 158 158 ARG C C 13 171.421 0.3 . 1 . . . . 158 ARG C . 18031 1 542 . 1 1 158 158 ARG CA C 13 54.256 0.3 . 1 . . . . 158 ARG CA . 18031 1 543 . 1 1 158 158 ARG N N 15 129.347 0.3 . 1 . . . . 158 ARG N . 18031 1 544 . 1 1 159 159 VAL H H 1 8.798 0.020 . 1 . . . . 159 VAL H . 18031 1 545 . 1 1 159 159 VAL C C 13 173.113 0.3 . 1 . . . . 159 VAL C . 18031 1 546 . 1 1 159 159 VAL CA C 13 56.887 0.3 . 1 . . . . 159 VAL CA . 18031 1 547 . 1 1 159 159 VAL N N 15 120.794 0.3 . 1 . . . . 159 VAL N . 18031 1 548 . 1 1 160 160 GLY H H 1 9.244 0.020 . 1 . . . . 160 GLY H . 18031 1 549 . 1 1 160 160 GLY C C 13 174.393 0.3 . 1 . . . . 160 GLY C . 18031 1 550 . 1 1 160 160 GLY CA C 13 42.999 0.3 . 1 . . . . 160 GLY CA . 18031 1 551 . 1 1 160 160 GLY N N 15 112.364 0.3 . 1 . . . . 160 GLY N . 18031 1 552 . 1 1 161 161 ILE H H 1 8.225 0.020 . 1 . . . . 161 ILE H . 18031 1 553 . 1 1 161 161 ILE C C 13 173.090 0.3 . 1 . . . . 161 ILE C . 18031 1 554 . 1 1 161 161 ILE CA C 13 58.287 0.3 . 1 . . . . 161 ILE CA . 18031 1 555 . 1 1 161 161 ILE N N 15 114.118 0.3 . 1 . . . . 161 ILE N . 18031 1 556 . 1 1 162 162 VAL H H 1 7.253 0.020 . 1 . . . . 162 VAL H . 18031 1 557 . 1 1 162 162 VAL C C 13 171.140 0.3 . 1 . . . . 162 VAL C . 18031 1 558 . 1 1 162 162 VAL CA C 13 57.228 0.3 . 1 . . . . 162 VAL CA . 18031 1 559 . 1 1 162 162 VAL N N 15 117.626 0.3 . 1 . . . . 162 VAL N . 18031 1 560 . 1 1 163 163 ASP H H 1 7.724 0.020 . 1 . . . . 163 ASP H . 18031 1 561 . 1 1 163 163 ASP C C 13 174.026 0.3 . 1 . . . . 163 ASP C . 18031 1 562 . 1 1 163 163 ASP CA C 13 49.918 0.3 . 1 . . . . 163 ASP CA . 18031 1 563 . 1 1 163 163 ASP N N 15 123.260 0.3 . 1 . . . . 163 ASP N . 18031 1 564 . 1 1 164 164 TRP H H 1 9.743 0.020 . 1 . . . . 164 TRP H . 18031 1 565 . 1 1 164 164 TRP C C 13 174.602 0.3 . 1 . . . . 164 TRP C . 18031 1 566 . 1 1 164 164 TRP CA C 13 52.617 0.3 . 1 . . . . 164 TRP CA . 18031 1 567 . 1 1 164 164 TRP N N 15 125.486 0.3 . 1 . . . . 164 TRP N . 18031 1 568 . 1 1 165 165 SER H H 1 8.726 0.020 . 1 . . . . 165 SER H . 18031 1 569 . 1 1 165 165 SER C C 13 174.625 0.3 . 1 . . . . 165 SER C . 18031 1 570 . 1 1 165 165 SER CA C 13 59.845 0.3 . 1 . . . . 165 SER CA . 18031 1 571 . 1 1 165 165 SER N N 15 116.749 0.3 . 1 . . . . 165 SER N . 18031 1 572 . 1 1 166 166 GLU H H 1 7.709 0.020 . 1 . . . . 166 GLU H . 18031 1 573 . 1 1 166 166 GLU C C 13 175.179 0.3 . 1 . . . . 166 GLU C . 18031 1 574 . 1 1 166 166 GLU CA C 13 54.905 0.3 . 1 . . . . 166 GLU CA . 18031 1 575 . 1 1 166 166 GLU N N 15 119.073 0.3 . 1 . . . . 166 GLU N . 18031 1 576 . 1 1 167 167 VAL H H 1 7.838 0.020 . 1 . . . . 167 VAL H . 18031 1 577 . 1 1 167 167 VAL C C 13 173.396 0.3 . 1 . . . . 167 VAL C . 18031 1 578 . 1 1 167 167 VAL CA C 13 57.149 0.3 . 1 . . . . 167 VAL CA . 18031 1 579 . 1 1 167 167 VAL N N 15 112.673 0.3 . 1 . . . . 167 VAL N . 18031 1 580 . 1 1 168 168 TYR H H 1 7.347 0.020 . 1 . . . . 168 TYR H . 18031 1 581 . 1 1 168 168 TYR C C 13 173.981 0.3 . 1 . . . . 168 TYR C . 18031 1 582 . 1 1 168 168 TYR CA C 13 59.278 0.3 . 1 . . . . 168 TYR CA . 18031 1 583 . 1 1 168 168 TYR N N 15 122.683 0.3 . 1 . . . . 168 TYR N . 18031 1 584 . 1 1 169 169 ASP H H 1 8.717 0.020 . 1 . . . . 169 ASP H . 18031 1 585 . 1 1 169 169 ASP C C 13 175.620 0.3 . 1 . . . . 169 ASP C . 18031 1 586 . 1 1 169 169 ASP CA C 13 54.256 0.3 . 1 . . . . 169 ASP CA . 18031 1 587 . 1 1 169 169 ASP N N 15 115.605 0.3 . 1 . . . . 169 ASP N . 18031 1 588 . 1 1 170 170 GLU H H 1 7.980 0.020 . 1 . . . . 170 GLU H . 18031 1 589 . 1 1 170 170 GLU C C 13 174.988 0.3 . 1 . . . . 170 GLU C . 18031 1 590 . 1 1 170 170 GLU CA C 13 54.632 0.3 . 1 . . . . 170 GLU CA . 18031 1 591 . 1 1 170 170 GLU N N 15 115.731 0.3 . 1 . . . . 170 GLU N . 18031 1 592 . 1 1 171 171 ILE H H 1 7.793 0.020 . 1 . . . . 171 ILE H . 18031 1 593 . 1 1 171 171 ILE C C 13 173.279 0.3 . 1 . . . . 171 ILE C . 18031 1 594 . 1 1 171 171 ILE CA C 13 57.383 0.3 . 1 . . . . 171 ILE CA . 18031 1 595 . 1 1 171 171 ILE N N 15 111.860 0.3 . 1 . . . . 171 ILE N . 18031 1 596 . 1 1 172 172 ILE H H 1 7.162 0.020 . 1 . . . . 172 ILE H . 18031 1 597 . 1 1 172 172 ILE C C 13 172.030 0.3 . 1 . . . . 172 ILE C . 18031 1 598 . 1 1 172 172 ILE CA C 13 63.142 0.3 . 1 . . . . 172 ILE CA . 18031 1 599 . 1 1 172 172 ILE N N 15 122.432 0.3 . 1 . . . . 172 ILE N . 18031 1 600 . 1 1 173 173 PRO C C 13 174.755 0.3 . 1 . . . . 173 PRO C . 18031 1 601 . 1 1 173 173 PRO CA C 13 62.529 0.3 . 1 . . . . 173 PRO CA . 18031 1 602 . 1 1 174 174 TYR H H 1 7.788 0.020 . 1 . . . . 174 TYR H . 18031 1 603 . 1 1 174 174 TYR C C 13 173.392 0.3 . 1 . . . . 174 TYR C . 18031 1 604 . 1 1 174 174 TYR CA C 13 55.774 0.3 . 1 . . . . 174 TYR CA . 18031 1 605 . 1 1 174 174 TYR N N 15 113.133 0.3 . 1 . . . . 174 TYR N . 18031 1 606 . 1 1 175 175 LEU H H 1 7.568 0.020 . 1 . . . . 175 LEU H . 18031 1 607 . 1 1 175 175 LEU C C 13 174.708 0.3 . 1 . . . . 175 LEU C . 18031 1 608 . 1 1 175 175 LEU CA C 13 51.840 0.3 . 1 . . . . 175 LEU CA . 18031 1 609 . 1 1 175 175 LEU N N 15 118.257 0.3 . 1 . . . . 175 LEU N . 18031 1 610 . 1 1 176 176 ARG H H 1 8.104 0.020 . 1 . . . . 176 ARG H . 18031 1 611 . 1 1 176 176 ARG C C 13 173.532 0.3 . 1 . . . . 176 ARG C . 18031 1 612 . 1 1 176 176 ARG CA C 13 53.027 0.3 . 1 . . . . 176 ARG CA . 18031 1 613 . 1 1 176 176 ARG N N 15 119.775 0.3 . 1 . . . . 176 ARG N . 18031 1 614 . 1 1 177 177 LEU H H 1 8.180 0.020 . 1 . . . . 177 LEU H . 18031 1 615 . 1 1 177 177 LEU C C 13 175.297 0.3 . 1 . . . . 177 LEU C . 18031 1 616 . 1 1 177 177 LEU CA C 13 52.196 0.3 . 1 . . . . 177 LEU CA . 18031 1 617 . 1 1 177 177 LEU N N 15 123.346 0.3 . 1 . . . . 177 LEU N . 18031 1 618 . 1 1 178 178 GLY H H 1 8.344 0.020 . 1 . . . . 178 GLY H . 18031 1 619 . 1 1 178 178 GLY C C 13 171.824 0.3 . 1 . . . . 178 GLY C . 18031 1 620 . 1 1 178 178 GLY CA C 13 42.318 0.3 . 1 . . . . 178 GLY CA . 18031 1 621 . 1 1 178 178 GLY N N 15 109.467 0.3 . 1 . . . . 178 GLY N . 18031 1 622 . 1 1 179 179 GLY H H 1 8.138 0.020 . 1 . . . . 179 GLY H . 18031 1 623 . 1 1 179 179 GLY C C 13 170.635 0.3 . 1 . . . . 179 GLY C . 18031 1 624 . 1 1 179 179 GLY CA C 13 42.197 0.3 . 1 . . . . 179 GLY CA . 18031 1 625 . 1 1 179 179 GLY N N 15 109.239 0.3 . 1 . . . . 179 GLY N . 18031 1 626 . 1 1 180 180 GLU H H 1 7.902 0.020 . 1 . . . . 180 GLU H . 18031 1 627 . 1 1 180 180 GLU C C 13 178.611 0.3 . 1 . . . . 180 GLU C . 18031 1 628 . 1 1 180 180 GLU CA C 13 55.059 0.3 . 1 . . . . 180 GLU CA . 18031 1 629 . 1 1 180 180 GLU N N 15 125.912 0.3 . 1 . . . . 180 GLU N . 18031 1 stop_ save_