data_53248 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53248 _Entry.Title ; ctCsl4 amide backbone assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-27 _Entry.Accession_date 2025-06-27 _Entry.Last_release_date 2025-06-27 _Entry.Original_release_date 2025-06-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of amide backbone of subunit Csl4 of the RNA exosome complex of Chaetomium thermophilum' _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.ORCID _Entry_author.Entry_ID 1 Jobst Liebau . . . 0000-0003-4057-6699 53248 2 Remco Sprangers . . . 0000-0001-7323-6047 53248 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Regensburg' . 53248 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53248 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 137 53248 '1H chemical shifts' 137 53248 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 . . 2025-07-08 . original BMRB . 53248 stop_ loop_ _BMRbig_link.BMRbig_ID _BMRbig_link.Entry_ID bmrbig108 53248 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53248 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 4D structural biology - Quantitative dynamics in the eukaryotic RNA exosome complex ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jobst Liebau . . . . 53248 1 2 Daniela Lazzaretti . . . . 53248 1 3 Torben Furtges . . . . 53248 1 4 Anna Bichler . . . . 53248 1 5 Michael Pilsl . . . . 53248 1 6 Till Rudack . . . . 53248 1 7 Remco Sprangers . . . . 53248 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53248 _Assembly.ID 1 _Assembly.Name 'Csl4 subunit of the C. thermophilum RNA exosome' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Csl4 1 $entity_1 . . yes native yes no . . . 53248 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 8PEL . . 'X-ray crystallography' 3.8 'structure of the assembled exosome' . 53248 1 yes PDB 8R1O . . cryo-EM 3.2 'structure of the assembled exosome' . 53248 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53248 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMTTTQPTLALPGQLLGPI SKYQPGPGTHVHESNLYSSL LGTVHVTQPARAPGPVKRLN RITPAPTPAELPTISVSAAR PAGSAASGLVTGRKREILPE VGNIVLCRVIRITPRQAVVT ILVCGDTVLDAEWQGLIRVQ DIRATEKDRVKVYESFRPGD IVRAEVISLGDQANYYLSTA RNELGVILATSEAGNTMYPV SWREYRDPITGLTELRKVAK PY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Numbering off by +2 since TEV cleavage artifacts G and A are numbered as 1 and 2' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 222 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP G0SE33 . . . . . . . . . . . . . . . . 53248 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Subunit of RNA exosome' 53248 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 . GLY . 53248 1 2 . ALA . 53248 1 3 . MET . 53248 1 4 . THR . 53248 1 5 . THR . 53248 1 6 . THR . 53248 1 7 . GLN . 53248 1 8 . PRO . 53248 1 9 . THR . 53248 1 10 . LEU . 53248 1 11 . ALA . 53248 1 12 . LEU . 53248 1 13 . PRO . 53248 1 14 . GLY . 53248 1 15 . GLN . 53248 1 16 . LEU . 53248 1 17 . LEU . 53248 1 18 . GLY . 53248 1 19 . PRO . 53248 1 20 . ILE . 53248 1 21 . SER . 53248 1 22 . LYS . 53248 1 23 . TYR . 53248 1 24 . GLN . 53248 1 25 . PRO . 53248 1 26 . GLY . 53248 1 27 . PRO . 53248 1 28 . GLY . 53248 1 29 . THR . 53248 1 30 . HIS . 53248 1 31 . VAL . 53248 1 32 . HIS . 53248 1 33 . GLU . 53248 1 34 . SER . 53248 1 35 . ASN . 53248 1 36 . LEU . 53248 1 37 . TYR . 53248 1 38 . SER . 53248 1 39 . SER . 53248 1 40 . LEU . 53248 1 41 . LEU . 53248 1 42 . GLY . 53248 1 43 . THR . 53248 1 44 . VAL . 53248 1 45 . HIS . 53248 1 46 . VAL . 53248 1 47 . THR . 53248 1 48 . GLN . 53248 1 49 . PRO . 53248 1 50 . ALA . 53248 1 51 . ARG . 53248 1 52 . ALA . 53248 1 53 . PRO . 53248 1 54 . GLY . 53248 1 55 . PRO . 53248 1 56 . VAL . 53248 1 57 . LYS . 53248 1 58 . ARG . 53248 1 59 . LEU . 53248 1 60 . ASN . 53248 1 61 . ARG . 53248 1 62 . ILE . 53248 1 63 . THR . 53248 1 64 . PRO . 53248 1 65 . ALA . 53248 1 66 . PRO . 53248 1 67 . THR . 53248 1 68 . PRO . 53248 1 69 . ALA . 53248 1 70 . GLU . 53248 1 71 . LEU . 53248 1 72 . PRO . 53248 1 73 . THR . 53248 1 74 . ILE . 53248 1 75 . SER . 53248 1 76 . VAL . 53248 1 77 . SER . 53248 1 78 . ALA . 53248 1 79 . ALA . 53248 1 80 . ARG . 53248 1 81 . PRO . 53248 1 82 . ALA . 53248 1 83 . GLY . 53248 1 84 . SER . 53248 1 85 . ALA . 53248 1 86 . ALA . 53248 1 87 . SER . 53248 1 88 . GLY . 53248 1 89 . LEU . 53248 1 90 . VAL . 53248 1 91 . THR . 53248 1 92 . GLY . 53248 1 93 . ARG . 53248 1 94 . LYS . 53248 1 95 . ARG . 53248 1 96 . GLU . 53248 1 97 . ILE . 53248 1 98 . LEU . 53248 1 99 . PRO . 53248 1 100 . GLU . 53248 1 101 . VAL . 53248 1 102 . GLY . 53248 1 103 . ASN . 53248 1 104 . ILE . 53248 1 105 . VAL . 53248 1 106 . LEU . 53248 1 107 . CYS . 53248 1 108 . ARG . 53248 1 109 . VAL . 53248 1 110 . ILE . 53248 1 111 . ARG . 53248 1 112 . ILE . 53248 1 113 . THR . 53248 1 114 . PRO . 53248 1 115 . ARG . 53248 1 116 . GLN . 53248 1 117 . ALA . 53248 1 118 . VAL . 53248 1 119 . VAL . 53248 1 120 . THR . 53248 1 121 . ILE . 53248 1 122 . LEU . 53248 1 123 . VAL . 53248 1 124 . CYS . 53248 1 125 . GLY . 53248 1 126 . ASP . 53248 1 127 . THR . 53248 1 128 . VAL . 53248 1 129 . LEU . 53248 1 130 . ASP . 53248 1 131 . ALA . 53248 1 132 . GLU . 53248 1 133 . TRP . 53248 1 134 . GLN . 53248 1 135 . GLY . 53248 1 136 . LEU . 53248 1 137 . ILE . 53248 1 138 . ARG . 53248 1 139 . VAL . 53248 1 140 . GLN . 53248 1 141 . ASP . 53248 1 142 . ILE . 53248 1 143 . ARG . 53248 1 144 . ALA . 53248 1 145 . THR . 53248 1 146 . GLU . 53248 1 147 . LYS . 53248 1 148 . ASP . 53248 1 149 . ARG . 53248 1 150 . VAL . 53248 1 151 . LYS . 53248 1 152 . VAL . 53248 1 153 . TYR . 53248 1 154 . GLU . 53248 1 155 . SER . 53248 1 156 . PHE . 53248 1 157 . ARG . 53248 1 158 . PRO . 53248 1 159 . GLY . 53248 1 160 . ASP . 53248 1 161 . ILE . 53248 1 162 . VAL . 53248 1 163 . ARG . 53248 1 164 . ALA . 53248 1 165 . GLU . 53248 1 166 . VAL . 53248 1 167 . ILE . 53248 1 168 . SER . 53248 1 169 . LEU . 53248 1 170 . GLY . 53248 1 171 . ASP . 53248 1 172 . GLN . 53248 1 173 . ALA . 53248 1 174 . ASN . 53248 1 175 . TYR . 53248 1 176 . TYR . 53248 1 177 . LEU . 53248 1 178 . SER . 53248 1 179 . THR . 53248 1 180 . ALA . 53248 1 181 . ARG . 53248 1 182 . ASN . 53248 1 183 . GLU . 53248 1 184 . LEU . 53248 1 185 . GLY . 53248 1 186 . VAL . 53248 1 187 . ILE . 53248 1 188 . LEU . 53248 1 189 . ALA . 53248 1 190 . THR . 53248 1 191 . SER . 53248 1 192 . GLU . 53248 1 193 . ALA . 53248 1 194 . GLY . 53248 1 195 . ASN . 53248 1 196 . THR . 53248 1 197 . MET . 53248 1 198 . TYR . 53248 1 199 . PRO . 53248 1 200 . VAL . 53248 1 201 . SER . 53248 1 202 . TRP . 53248 1 203 . ARG . 53248 1 204 . GLU . 53248 1 205 . TYR . 53248 1 206 . ARG . 53248 1 207 . ASP . 53248 1 208 . PRO . 53248 1 209 . ILE . 53248 1 210 . THR . 53248 1 211 . GLY . 53248 1 212 . LEU . 53248 1 213 . THR . 53248 1 214 . GLU . 53248 1 215 . LEU . 53248 1 216 . ARG . 53248 1 217 . LYS . 53248 1 218 . VAL . 53248 1 219 . ALA . 53248 1 220 . LYS . 53248 1 221 . PRO . 53248 1 222 . TYR . 53248 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 . GLY 1 1 53248 1 . ALA 2 2 53248 1 . MET 3 3 53248 1 . THR 4 4 53248 1 . THR 5 5 53248 1 . THR 6 6 53248 1 . GLN 7 7 53248 1 . PRO 8 8 53248 1 . THR 9 9 53248 1 . LEU 10 10 53248 1 . ALA 11 11 53248 1 . LEU 12 12 53248 1 . PRO 13 13 53248 1 . GLY 14 14 53248 1 . GLN 15 15 53248 1 . LEU 16 16 53248 1 . LEU 17 17 53248 1 . GLY 18 18 53248 1 . PRO 19 19 53248 1 . ILE 20 20 53248 1 . SER 21 21 53248 1 . LYS 22 22 53248 1 . TYR 23 23 53248 1 . GLN 24 24 53248 1 . PRO 25 25 53248 1 . GLY 26 26 53248 1 . PRO 27 27 53248 1 . GLY 28 28 53248 1 . THR 29 29 53248 1 . HIS 30 30 53248 1 . VAL 31 31 53248 1 . HIS 32 32 53248 1 . GLU 33 33 53248 1 . SER 34 34 53248 1 . ASN 35 35 53248 1 . LEU 36 36 53248 1 . TYR 37 37 53248 1 . SER 38 38 53248 1 . SER 39 39 53248 1 . LEU 40 40 53248 1 . LEU 41 41 53248 1 . GLY 42 42 53248 1 . THR 43 43 53248 1 . VAL 44 44 53248 1 . HIS 45 45 53248 1 . VAL 46 46 53248 1 . THR 47 47 53248 1 . GLN 48 48 53248 1 . PRO 49 49 53248 1 . ALA 50 50 53248 1 . ARG 51 51 53248 1 . ALA 52 52 53248 1 . PRO 53 53 53248 1 . GLY 54 54 53248 1 . PRO 55 55 53248 1 . VAL 56 56 53248 1 . LYS 57 57 53248 1 . ARG 58 58 53248 1 . LEU 59 59 53248 1 . ASN 60 60 53248 1 . ARG 61 61 53248 1 . ILE 62 62 53248 1 . THR 63 63 53248 1 . PRO 64 64 53248 1 . ALA 65 65 53248 1 . PRO 66 66 53248 1 . THR 67 67 53248 1 . PRO 68 68 53248 1 . ALA 69 69 53248 1 . GLU 70 70 53248 1 . LEU 71 71 53248 1 . PRO 72 72 53248 1 . THR 73 73 53248 1 . ILE 74 74 53248 1 . SER 75 75 53248 1 . VAL 76 76 53248 1 . SER 77 77 53248 1 . ALA 78 78 53248 1 . ALA 79 79 53248 1 . ARG 80 80 53248 1 . PRO 81 81 53248 1 . ALA 82 82 53248 1 . GLY 83 83 53248 1 . SER 84 84 53248 1 . ALA 85 85 53248 1 . ALA 86 86 53248 1 . SER 87 87 53248 1 . GLY 88 88 53248 1 . LEU 89 89 53248 1 . VAL 90 90 53248 1 . THR 91 91 53248 1 . GLY 92 92 53248 1 . ARG 93 93 53248 1 . LYS 94 94 53248 1 . ARG 95 95 53248 1 . GLU 96 96 53248 1 . ILE 97 97 53248 1 . LEU 98 98 53248 1 . PRO 99 99 53248 1 . GLU 100 100 53248 1 . VAL 101 101 53248 1 . GLY 102 102 53248 1 . ASN 103 103 53248 1 . ILE 104 104 53248 1 . VAL 105 105 53248 1 . LEU 106 106 53248 1 . CYS 107 107 53248 1 . ARG 108 108 53248 1 . VAL 109 109 53248 1 . ILE 110 110 53248 1 . ARG 111 111 53248 1 . ILE 112 112 53248 1 . THR 113 113 53248 1 . PRO 114 114 53248 1 . ARG 115 115 53248 1 . GLN 116 116 53248 1 . ALA 117 117 53248 1 . VAL 118 118 53248 1 . VAL 119 119 53248 1 . THR 120 120 53248 1 . ILE 121 121 53248 1 . LEU 122 122 53248 1 . VAL 123 123 53248 1 . CYS 124 124 53248 1 . GLY 125 125 53248 1 . ASP 126 126 53248 1 . THR 127 127 53248 1 . VAL 128 128 53248 1 . LEU 129 129 53248 1 . ASP 130 130 53248 1 . ALA 131 131 53248 1 . GLU 132 132 53248 1 . TRP 133 133 53248 1 . GLN 134 134 53248 1 . GLY 135 135 53248 1 . LEU 136 136 53248 1 . ILE 137 137 53248 1 . ARG 138 138 53248 1 . VAL 139 139 53248 1 . GLN 140 140 53248 1 . ASP 141 141 53248 1 . ILE 142 142 53248 1 . ARG 143 143 53248 1 . ALA 144 144 53248 1 . THR 145 145 53248 1 . GLU 146 146 53248 1 . LYS 147 147 53248 1 . ASP 148 148 53248 1 . ARG 149 149 53248 1 . VAL 150 150 53248 1 . LYS 151 151 53248 1 . VAL 152 152 53248 1 . TYR 153 153 53248 1 . GLU 154 154 53248 1 . SER 155 155 53248 1 . PHE 156 156 53248 1 . ARG 157 157 53248 1 . PRO 158 158 53248 1 . GLY 159 159 53248 1 . ASP 160 160 53248 1 . ILE 161 161 53248 1 . VAL 162 162 53248 1 . ARG 163 163 53248 1 . ALA 164 164 53248 1 . GLU 165 165 53248 1 . VAL 166 166 53248 1 . ILE 167 167 53248 1 . SER 168 168 53248 1 . LEU 169 169 53248 1 . GLY 170 170 53248 1 . ASP 171 171 53248 1 . GLN 172 172 53248 1 . ALA 173 173 53248 1 . ASN 174 174 53248 1 . TYR 175 175 53248 1 . TYR 176 176 53248 1 . LEU 177 177 53248 1 . SER 178 178 53248 1 . THR 179 179 53248 1 . ALA 180 180 53248 1 . ARG 181 181 53248 1 . ASN 182 182 53248 1 . GLU 183 183 53248 1 . LEU 184 184 53248 1 . GLY 185 185 53248 1 . VAL 186 186 53248 1 . ILE 187 187 53248 1 . LEU 188 188 53248 1 . ALA 189 189 53248 1 . THR 190 190 53248 1 . SER 191 191 53248 1 . GLU 192 192 53248 1 . ALA 193 193 53248 1 . GLY 194 194 53248 1 . ASN 195 195 53248 1 . THR 196 196 53248 1 . MET 197 197 53248 1 . TYR 198 198 53248 1 . PRO 199 199 53248 1 . VAL 200 200 53248 1 . SER 201 201 53248 1 . TRP 202 202 53248 1 . ARG 203 203 53248 1 . GLU 204 204 53248 1 . TYR 205 205 53248 1 . ARG 206 206 53248 1 . ASP 207 207 53248 1 . PRO 208 208 53248 1 . ILE 209 209 53248 1 . THR 210 210 53248 1 . GLY 211 211 53248 1 . LEU 212 212 53248 1 . THR 213 213 53248 1 . GLU 214 214 53248 1 . LEU 215 215 53248 1 . ARG 216 216 53248 1 . LYS 217 217 53248 1 . VAL 218 218 53248 1 . ALA 219 219 53248 1 . LYS 220 220 53248 1 . PRO 221 221 53248 1 . TYR 222 222 53248 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53248 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 209285 organism . 'Chaetomium thermophilum' 'Chaetomium thermophilum' . . Eukaryota Fungi Chaetomium thermophilum . . . . . . . . . . . . . 53248 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53248 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pETM-11 . . . 53248 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53248 _Sample.ID 1 _Sample.Name '13C/15N/2H labeled Csl4' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 360uM Csl4 2H/13C/15N-labeled 25mM HEPES, 200mM NaCl, 1mM DTT, pH 7.5 313 K ; _Sample.Aggregate_sample_number 1 _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 Csl4 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 360 . . uM . . . . 53248 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 53248 1 3 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 53248 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 53248 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53248 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Regular conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 53248 1 pH 7.5 . pH 53248 1 pressure 1 . atm 53248 1 temperature 313 . K 53248 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53248 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53248 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53248 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53248 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53248 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'data deposited in BMRBbig108' 53248 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'data deposited in BMRBbig108' 53248 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'data deposited in BMRBbig108' 53248 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'data deposited in BMRBbig108' 53248 1 6 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'data deposited in BMRBbig108' 53248 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N TROSY' trosy_hsqc_36.zip . 'NMR experiment directory' . . 53248 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53248 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.701 internal direct 1 . . . . . 53248 1 N 15 water protons . . . . ppm 4.701 internal indirect 0.10134 . . . . . 53248 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53248 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name csl4_sparky_assigned_only.list _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 53248 1 2 '3D HNCO' . . . 53248 1 3 '3D HNCACB' . . . 53248 1 4 '3D CBCA(CO)NH' . . . 53248 1 5 '3D HNCA' . . . 53248 1 6 '3D HNCACO' . . . 53248 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53248 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 6 6 THR H H 1 8.244000 . . 1 . . . . . 6 T H . 53248 1 2 . 1 . 1 6 6 THR N N 15 116.937000 . . 1 . . . . . 6 T N . 53248 1 3 . 1 . 1 7 7 GLN H H 1 8.069000 . . 1 . . . . . 7 Q H . 53248 1 4 . 1 . 1 7 7 GLN N N 15 122.807000 . . 1 . . . . . 7 Q N . 53248 1 5 . 1 . 1 9 9 THR H H 1 6.802000 . . 1 . . . . . 9 T H . 53248 1 6 . 1 . 1 9 9 THR N N 15 106.336000 . . 1 . . . . . 9 T N . 53248 1 7 . 1 . 1 10 10 LEU H H 1 7.459000 . . 1 . . . . . 10 L H . 53248 1 8 . 1 . 1 10 10 LEU N N 15 123.543000 . . 1 . . . . . 10 L N . 53248 1 9 . 1 . 1 11 11 ALA H H 1 8.904000 . . 1 . . . . . 11 A H . 53248 1 10 . 1 . 1 11 11 ALA N N 15 120.379000 . . 1 . . . . . 11 A N . 53248 1 11 . 1 . 1 12 12 LEU H H 1 7.581000 . . 1 . . . . . 12 L H . 53248 1 12 . 1 . 1 12 12 LEU N N 15 117.198000 . . 1 . . . . . 12 L N . 53248 1 13 . 1 . 1 14 14 GLY H H 1 9.373000 . . 1 . . . . . 14 G H . 53248 1 14 . 1 . 1 14 14 GLY N N 15 111.646000 . . 1 . . . . . 14 G N . 53248 1 15 . 1 . 1 15 15 GLN H H 1 8.084000 . . 1 . . . . . 15 Q H . 53248 1 16 . 1 . 1 15 15 GLN N N 15 122.353000 . . 1 . . . . . 15 Q N . 53248 1 17 . 1 . 1 16 16 LEU H H 1 9.472000 . . 1 . . . . . 16 L H . 53248 1 18 . 1 . 1 16 16 LEU N N 15 129.130000 . . 1 . . . . . 16 L N . 53248 1 19 . 1 . 1 17 17 LEU H H 1 9.243000 . . 1 . . . . . 17 L H . 53248 1 20 . 1 . 1 17 17 LEU N N 15 125.073000 . . 1 . . . . . 17 L N . 53248 1 21 . 1 . 1 18 18 GLY H H 1 6.948000 . . 1 . . . . . 18 G H . 53248 1 22 . 1 . 1 18 18 GLY N N 15 103.319000 . . 1 . . . . . 18 G N . 53248 1 23 . 1 . 1 20 20 ILE H H 1 8.101000 . . 1 . . . . . 20 I H . 53248 1 24 . 1 . 1 20 20 ILE N N 15 117.765000 . . 1 . . . . . 20 I N . 53248 1 25 . 1 . 1 22 22 LYS H H 1 7.665000 . . 1 . . . . . 22 K H . 53248 1 26 . 1 . 1 22 22 LYS N N 15 121.531000 . . 1 . . . . . 22 K N . 53248 1 27 . 1 . 1 23 23 TYR H H 1 7.184000 . . 1 . . . . . 23 Y H . 53248 1 28 . 1 . 1 23 23 TYR N N 15 113.573000 . . 1 . . . . . 23 Y N . 53248 1 29 . 1 . 1 24 24 GLN H H 1 8.974000 . . 1 . . . . . 24 Q H . 53248 1 30 . 1 . 1 24 24 GLN N N 15 117.655000 . . 1 . . . . . 24 Q N . 53248 1 31 . 1 . 1 28 28 GLY H H 1 8.687000 . . 1 . . . . . 28 G H . 53248 1 32 . 1 . 1 28 28 GLY N N 15 109.777000 . . 1 . . . . . 28 G N . 53248 1 33 . 1 . 1 29 29 THR H H 1 7.588000 . . 1 . . . . . 29 T H . 53248 1 34 . 1 . 1 29 29 THR N N 15 107.738000 . . 1 . . . . . 29 T N . 53248 1 35 . 1 . 1 30 30 HIS H H 1 9.031000 . . 1 . . . . . 30 H H . 53248 1 36 . 1 . 1 30 30 HIS N N 15 116.406000 . . 1 . . . . . 30 H N . 53248 1 37 . 1 . 1 31 31 VAL H H 1 8.565000 . . 1 . . . . . 31 V H . 53248 1 38 . 1 . 1 31 31 VAL N N 15 121.220000 . . 1 . . . . . 31 V N . 53248 1 39 . 1 . 1 32 32 HIS H H 1 9.236000 . . 1 . . . . . 32 H H . 53248 1 40 . 1 . 1 32 32 HIS N N 15 126.602000 . . 1 . . . . . 32 H N . 53248 1 41 . 1 . 1 35 35 ASN H H 1 8.126000 . . 1 . . . . . 35 N H . 53248 1 42 . 1 . 1 35 35 ASN N N 15 119.974000 . . 1 . . . . . 35 N N . 53248 1 43 . 1 . 1 36 36 LEU H H 1 9.251000 . . 1 . . . . . 36 L H . 53248 1 44 . 1 . 1 36 36 LEU N N 15 119.804000 . . 1 . . . . . 36 L N . 53248 1 45 . 1 . 1 37 37 TYR H H 1 9.098000 . . 1 . . . . . 37 Y H . 53248 1 46 . 1 . 1 37 37 TYR N N 15 120.201000 . . 1 . . . . . 37 Y N . 53248 1 47 . 1 . 1 40 40 LEU H H 1 7.924000 . . 1 . . . . . 40 L H . 53248 1 48 . 1 . 1 40 40 LEU N N 15 119.294000 . . 1 . . . . . 40 L N . 53248 1 49 . 1 . 1 41 41 LEU H H 1 7.832000 . . 1 . . . . . 41 L H . 53248 1 50 . 1 . 1 41 41 LEU N N 15 121.560000 . . 1 . . . . . 41 L N . 53248 1 51 . 1 . 1 42 42 GLY H H 1 8.580000 . . 1 . . . . . 42 G H . 53248 1 52 . 1 . 1 42 42 GLY N N 15 114.252000 . . 1 . . . . . 42 G N . 53248 1 53 . 1 . 1 43 43 THR H H 1 8.420000 . . 1 . . . . . 43 T H . 53248 1 54 . 1 . 1 43 43 THR N N 15 113.686000 . . 1 . . . . . 43 T N . 53248 1 55 . 1 . 1 44 44 VAL H H 1 8.969000 . . 1 . . . . . 44 V H . 53248 1 56 . 1 . 1 44 44 VAL N N 15 124.959000 . . 1 . . . . . 44 V N . 53248 1 57 . 1 . 1 45 45 HIS H H 1 9.053000 . . 1 . . . . . 45 H H . 53248 1 58 . 1 . 1 45 45 HIS N N 15 126.546000 . . 1 . . . . . 45 H N . 53248 1 59 . 1 . 1 46 46 VAL H H 1 8.796000 . . 1 . . . . . 46 V H . 53248 1 60 . 1 . 1 46 46 VAL N N 15 124.011000 . . 1 . . . . . 46 V N . 53248 1 61 . 1 . 1 47 47 THR H H 1 9.098000 . . 1 . . . . . 47 T H . 53248 1 62 . 1 . 1 47 47 THR N N 15 124.110000 . . 1 . . . . . 47 T N . 53248 1 63 . 1 . 1 48 48 GLN H H 1 8.732000 . . 1 . . . . . 48 Q H . 53248 1 64 . 1 . 1 48 48 GLN N N 15 125.356000 . . 1 . . . . . 48 Q N . 53248 1 65 . 1 . 1 69 69 ALA H H 1 8.343000 . . 1 . . . . . 69 A H . 53248 1 66 . 1 . 1 69 69 ALA N N 15 124.563000 . . 1 . . . . . 69 A N . 53248 1 67 . 1 . 1 70 70 GLU H H 1 8.088000 . . 1 . . . . . 70 E H . 53248 1 68 . 1 . 1 70 70 GLU N N 15 119.707000 . . 1 . . . . . 70 E N . 53248 1 69 . 1 . 1 71 71 LEU H H 1 8.002000 . . 1 . . . . . 71 L H . 53248 1 70 . 1 . 1 71 71 LEU N N 15 123.587000 . . 1 . . . . . 71 L N . 53248 1 71 . 1 . 1 73 73 THR H H 1 8.570000 . . 1 . . . . . 73 T H . 53248 1 72 . 1 . 1 73 73 THR N N 15 118.460000 . . 1 . . . . . 73 T N . 53248 1 73 . 1 . 1 74 74 ILE H H 1 8.458000 . . 1 . . . . . 74 I H . 53248 1 74 . 1 . 1 74 74 ILE N N 15 128.982000 . . 1 . . . . . 74 I N . 53248 1 75 . 1 . 1 76 76 VAL H H 1 8.587000 . . 1 . . . . . 76 V H . 53248 1 76 . 1 . 1 76 76 VAL N N 15 121.617000 . . 1 . . . . . 76 V N . 53248 1 77 . 1 . 1 78 78 ALA H H 1 8.786000 . . 1 . . . . . 78 A H . 53248 1 78 . 1 . 1 78 78 ALA N N 15 128.415000 . . 1 . . . . . 78 A N . 53248 1 79 . 1 . 1 79 79 ALA H H 1 8.366000 . . 1 . . . . . 79 A H . 53248 1 80 . 1 . 1 79 79 ALA N N 15 124.959000 . . 1 . . . . . 79 A N . 53248 1 81 . 1 . 1 100 100 GLU H H 1 7.992000 . . 1 . . . . . 100 E H . 53248 1 82 . 1 . 1 100 100 GLU N N 15 121.617000 . . 1 . . . . . 100 E N . 53248 1 83 . 1 . 1 101 101 VAL H H 1 8.481000 . . 1 . . . . . 101 V H . 53248 1 84 . 1 . 1 101 101 VAL N N 15 121.107000 . . 1 . . . . . 101 V N . 53248 1 85 . 1 . 1 102 102 GLY H H 1 9.004000 . . 1 . . . . . 102 G H . 53248 1 86 . 1 . 1 102 102 GLY N N 15 116.161000 . . 1 . . . . . 102 G N . 53248 1 87 . 1 . 1 103 103 ASN H H 1 8.175000 . . 1 . . . . . 103 N H . 53248 1 88 . 1 . 1 103 103 ASN N N 15 117.878000 . . 1 . . . . . 103 N N . 53248 1 89 . 1 . 1 104 104 ILE H H 1 8.580000 . . 1 . . . . . 104 I H . 53248 1 90 . 1 . 1 104 104 ILE N N 15 122.183000 . . 1 . . . . . 104 I N . 53248 1 91 . 1 . 1 105 105 VAL H H 1 9.220000 . . 1 . . . . . 105 V H . 53248 1 92 . 1 . 1 105 105 VAL N N 15 118.048000 . . 1 . . . . . 105 V N . 53248 1 93 . 1 . 1 106 106 LEU H H 1 8.328000 . . 1 . . . . . 106 L H . 53248 1 94 . 1 . 1 106 106 LEU N N 15 116.518000 . . 1 . . . . . 106 L N . 53248 1 95 . 1 . 1 107 107 CYS H H 1 9.553000 . . 1 . . . . . 107 C H . 53248 1 96 . 1 . 1 107 107 CYS N N 15 119.015000 . . 1 . . . . . 107 C N . 53248 1 97 . 1 . 1 108 108 ARG H H 1 9.106000 . . 1 . . . . . 108 R H . 53248 1 98 . 1 . 1 108 108 ARG N N 15 123.430000 . . 1 . . . . . 108 R N . 53248 1 99 . 1 . 1 109 109 VAL H H 1 8.992000 . . 1 . . . . . 109 V H . 53248 1 100 . 1 . 1 109 109 VAL N N 15 127.225000 . . 1 . . . . . 109 V N . 53248 1 101 . 1 . 1 110 110 ILE H H 1 9.510000 . . 1 . . . . . 110 I H . 53248 1 102 . 1 . 1 110 110 ILE N N 15 128.245000 . . 1 . . . . . 110 I N . 53248 1 103 . 1 . 1 111 111 ARG H H 1 7.756000 . . 1 . . . . . 111 R H . 53248 1 104 . 1 . 1 111 111 ARG N N 15 117.651000 . . 1 . . . . . 111 R N . 53248 1 105 . 1 . 1 112 112 ILE H H 1 8.969000 . . 1 . . . . . 112 I H . 53248 1 106 . 1 . 1 112 112 ILE N N 15 117.900000 . . 1 . . . . . 112 I N . 53248 1 107 . 1 . 1 113 113 THR H H 1 8.671000 . . 1 . . . . . 113 T H . 53248 1 108 . 1 . 1 113 113 THR N N 15 117.425000 . . 1 . . . . . 113 T N . 53248 1 109 . 1 . 1 116 116 GLN H H 1 7.840000 . . 1 . . . . . 116 Q H . 53248 1 110 . 1 . 1 116 116 GLN N N 15 116.518000 . . 1 . . . . . 116 Q N . 53248 1 111 . 1 . 1 117 117 ALA H H 1 8.995000 . . 1 . . . . . 117 A H . 53248 1 112 . 1 . 1 117 117 ALA N N 15 122.097000 . . 1 . . . . . 117 A N . 53248 1 113 . 1 . 1 118 118 VAL H H 1 8.969000 . . 1 . . . . . 118 V H . 53248 1 114 . 1 . 1 118 118 VAL N N 15 124.166000 . . 1 . . . . . 118 V N . 53248 1 115 . 1 . 1 119 119 VAL H H 1 9.038000 . . 1 . . . . . 119 V H . 53248 1 116 . 1 . 1 119 119 VAL N N 15 120.202000 . . 1 . . . . . 119 V N . 53248 1 117 . 1 . 1 120 120 THR H H 1 8.915000 . . 1 . . . . . 120 T H . 53248 1 118 . 1 . 1 120 120 THR N N 15 116.575000 . . 1 . . . . . 120 T N . 53248 1 119 . 1 . 1 121 121 ILE H H 1 9.495000 . . 1 . . . . . 121 I H . 53248 1 120 . 1 . 1 121 121 ILE N N 15 128.973000 . . 1 . . . . . 121 I N . 53248 1 121 . 1 . 1 122 122 LEU H H 1 8.755000 . . 1 . . . . . 122 L H . 53248 1 122 . 1 . 1 122 122 LEU N N 15 125.016000 . . 1 . . . . . 122 L N . 53248 1 123 . 1 . 1 123 123 VAL H H 1 7.674000 . . 1 . . . . . 123 V H . 53248 1 124 . 1 . 1 123 123 VAL N N 15 118.986000 . . 1 . . . . . 123 V N . 53248 1 125 . 1 . 1 124 124 CYS H H 1 8.839000 . . 1 . . . . . 124 C H . 53248 1 126 . 1 . 1 124 124 CYS N N 15 127.169000 . . 1 . . . . . 124 C N . 53248 1 127 . 1 . 1 125 125 GLY H H 1 9.360000 . . 1 . . . . . 125 G H . 53248 1 128 . 1 . 1 125 125 GLY N N 15 119.927000 . . 1 . . . . . 125 G N . 53248 1 129 . 1 . 1 126 126 ASP H H 1 8.381000 . . 1 . . . . . 126 D H . 53248 1 130 . 1 . 1 126 126 ASP N N 15 126.942000 . . 1 . . . . . 126 D N . 53248 1 131 . 1 . 1 127 127 THR H H 1 8.103000 . . 1 . . . . . 127 T H . 53248 1 132 . 1 . 1 127 127 THR N N 15 115.839000 . . 1 . . . . . 127 T N . 53248 1 133 . 1 . 1 128 128 VAL H H 1 8.699000 . . 1 . . . . . 128 V H . 53248 1 134 . 1 . 1 128 128 VAL N N 15 129.203000 . . 1 . . . . . 128 V N . 53248 1 135 . 1 . 1 129 129 LEU H H 1 7.992000 . . 1 . . . . . 129 L H . 53248 1 136 . 1 . 1 129 129 LEU N N 15 128.132000 . . 1 . . . . . 129 L N . 53248 1 137 . 1 . 1 130 130 ASP H H 1 8.862000 . . 1 . . . . . 130 D H . 53248 1 138 . 1 . 1 130 130 ASP N N 15 121.334000 . . 1 . . . . . 130 D N . 53248 1 139 . 1 . 1 131 131 ALA H H 1 7.565000 . . 1 . . . . . 131 A H . 53248 1 140 . 1 . 1 131 131 ALA N N 15 122.183000 . . 1 . . . . . 131 A N . 53248 1 141 . 1 . 1 132 132 GLU H H 1 7.954000 . . 1 . . . . . 132 E H . 53248 1 142 . 1 . 1 132 132 GLU N N 15 118.784000 . . 1 . . . . . 132 E N . 53248 1 143 . 1 . 1 133 133 TRP H H 1 7.698000 . . 1 . . . . . 133 W H . 53248 1 144 . 1 . 1 133 133 TRP N N 15 121.697000 . . 1 . . . . . 133 W N . 53248 1 145 . 1 . 1 134 134 GLN H H 1 9.350000 . . 1 . . . . . 134 Q H . 53248 1 146 . 1 . 1 134 134 GLN N N 15 123.883000 . . 1 . . . . . 134 Q N . 53248 1 147 . 1 . 1 135 135 GLY H H 1 8.603000 . . 1 . . . . . 135 G H . 53248 1 148 . 1 . 1 135 135 GLY N N 15 108.814000 . . 1 . . . . . 135 G N . 53248 1 149 . 1 . 1 136 136 LEU H H 1 8.611000 . . 1 . . . . . 136 L H . 53248 1 150 . 1 . 1 136 136 LEU N N 15 121.055000 . . 1 . . . . . 136 L N . 53248 1 151 . 1 . 1 137 137 ILE H H 1 8.993000 . . 1 . . . . . 137 I H . 53248 1 152 . 1 . 1 137 137 ILE N N 15 121.854000 . . 1 . . . . . 137 I N . 53248 1 153 . 1 . 1 138 138 ARG H H 1 10.098000 . . 1 . . . . . 138 R H . 53248 1 154 . 1 . 1 138 138 ARG N N 15 127.792000 . . 1 . . . . . 138 R N . 53248 1 155 . 1 . 1 139 139 VAL H H 1 7.970000 . . 1 . . . . . 139 V H . 53248 1 156 . 1 . 1 139 139 VAL N N 15 120.994000 . . 1 . . . . . 139 V N . 53248 1 157 . 1 . 1 140 140 GLN H H 1 8.748000 . . 1 . . . . . 140 Q H . 53248 1 158 . 1 . 1 140 140 GLN N N 15 117.821000 . . 1 . . . . . 140 Q N . 53248 1 159 . 1 . 1 141 141 ASP H H 1 8.244000 . . 1 . . . . . 141 D H . 53248 1 160 . 1 . 1 141 141 ASP N N 15 120.371000 . . 1 . . . . . 141 D N . 53248 1 161 . 1 . 1 142 142 ILE H H 1 7.294000 . . 1 . . . . . 142 I H . 53248 1 162 . 1 . 1 142 142 ILE N N 15 120.371000 . . 1 . . . . . 142 I N . 53248 1 163 . 1 . 1 143 143 ARG H H 1 8.351000 . . 1 . . . . . 143 R H . 53248 1 164 . 1 . 1 143 143 ARG N N 15 114.309000 . . 1 . . . . . 143 R N . 53248 1 165 . 1 . 1 153 153 TYR H H 1 8.191000 . . 1 . . . . . 153 Y H . 53248 1 166 . 1 . 1 153 153 TYR N N 15 115.872000 . . 1 . . . . . 153 Y N . 53248 1 167 . 1 . 1 154 154 GLU H H 1 6.332000 . . 1 . . . . . 154 E H . 53248 1 168 . 1 . 1 154 154 GLU N N 15 115.612000 . . 1 . . . . . 154 E N . 53248 1 169 . 1 . 1 156 156 PHE H H 1 7.916000 . . 1 . . . . . 156 F H . 53248 1 170 . 1 . 1 156 156 PHE N N 15 116.688000 . . 1 . . . . . 156 F N . 53248 1 171 . 1 . 1 157 157 ARG H H 1 8.816000 . . 1 . . . . . 157 R H . 53248 1 172 . 1 . 1 157 157 ARG N N 15 116.065000 . . 1 . . . . . 157 R N . 53248 1 173 . 1 . 1 159 159 GLY H H 1 9.114000 . . 1 . . . . . 159 G H . 53248 1 174 . 1 . 1 159 159 GLY N N 15 113.686000 . . 1 . . . . . 159 G N . 53248 1 175 . 1 . 1 160 160 ASP H H 1 8.023000 . . 1 . . . . . 160 D H . 53248 1 176 . 1 . 1 160 160 ASP N N 15 122.240000 . . 1 . . . . . 160 D N . 53248 1 177 . 1 . 1 161 161 ILE H H 1 8.576000 . . 1 . . . . . 161 I H . 53248 1 178 . 1 . 1 161 161 ILE N N 15 118.313000 . . 1 . . . . . 161 I N . 53248 1 179 . 1 . 1 162 162 VAL H H 1 9.434000 . . 1 . . . . . 162 V H . 53248 1 180 . 1 . 1 162 162 VAL N N 15 128.528000 . . 1 . . . . . 162 V N . 53248 1 181 . 1 . 1 163 163 ARG H H 1 9.457000 . . 1 . . . . . 163 R H . 53248 1 182 . 1 . 1 163 163 ARG N N 15 130.001000 . . 1 . . . . . 163 R N . 53248 1 183 . 1 . 1 164 164 ALA H H 1 9.350000 . . 1 . . . . . 164 A H . 53248 1 184 . 1 . 1 164 164 ALA N N 15 129.435000 . . 1 . . . . . 164 A N . 53248 1 185 . 1 . 1 165 165 GLU H H 1 8.885000 . . 1 . . . . . 165 E H . 53248 1 186 . 1 . 1 165 165 GLU N N 15 120.144000 . . 1 . . . . . 165 E N . 53248 1 187 . 1 . 1 166 166 VAL H H 1 8.793000 . . 1 . . . . . 166 V H . 53248 1 188 . 1 . 1 166 166 VAL N N 15 125.469000 . . 1 . . . . . 166 V N . 53248 1 189 . 1 . 1 167 167 ILE H H 1 9.198000 . . 1 . . . . . 167 I H . 53248 1 190 . 1 . 1 167 167 ILE N N 15 124.676000 . . 1 . . . . . 167 I N . 53248 1 191 . 1 . 1 169 169 LEU H H 1 8.687000 . . 1 . . . . . 169 L H . 53248 1 192 . 1 . 1 169 169 LEU N N 15 124.733000 . . 1 . . . . . 169 L N . 53248 1 193 . 1 . 1 170 170 GLY H H 1 8.053000 . . 1 . . . . . 170 G H . 53248 1 194 . 1 . 1 170 170 GLY N N 15 110.627000 . . 1 . . . . . 170 G N . 53248 1 195 . 1 . 1 173 173 ALA H H 1 8.267000 . . 1 . . . . . 173 A H . 53248 1 196 . 1 . 1 173 173 ALA N N 15 120.824000 . . 1 . . . . . 173 A N . 53248 1 197 . 1 . 1 174 174 ASN H H 1 7.542000 . . 1 . . . . . 174 N H . 53248 1 198 . 1 . 1 174 174 ASN N N 15 114.422000 . . 1 . . . . . 174 N N . 53248 1 199 . 1 . 1 175 175 TYR H H 1 7.909000 . . 1 . . . . . 175 Y H . 53248 1 200 . 1 . 1 175 175 TYR N N 15 118.048000 . . 1 . . . . . 175 Y N . 53248 1 201 . 1 . 1 176 176 TYR H H 1 8.732000 . . 1 . . . . . 176 Y H . 53248 1 202 . 1 . 1 176 176 TYR N N 15 120.427000 . . 1 . . . . . 176 Y N . 53248 1 203 . 1 . 1 177 177 LEU H H 1 9.144000 . . 1 . . . . . 177 L H . 53248 1 204 . 1 . 1 177 177 LEU N N 15 122.920000 . . 1 . . . . . 177 L N . 53248 1 205 . 1 . 1 179 179 THR H H 1 8.816000 . . 1 . . . . . 179 T H . 53248 1 206 . 1 . 1 179 179 THR N N 15 115.385000 . . 1 . . . . . 179 T N . 53248 1 207 . 1 . 1 180 180 ALA H H 1 8.176000 . . 1 . . . . . 180 A H . 53248 1 208 . 1 . 1 180 180 ALA N N 15 128.018000 . . 1 . . . . . 180 A N . 53248 1 209 . 1 . 1 181 181 ARG H H 1 8.198000 . . 1 . . . . . 181 R H . 53248 1 210 . 1 . 1 181 181 ARG N N 15 117.651000 . . 1 . . . . . 181 R N . 53248 1 211 . 1 . 1 183 183 GLU H H 1 9.068000 . . 1 . . . . . 183 E H . 53248 1 212 . 1 . 1 183 183 GLU N N 15 117.198000 . . 1 . . . . . 183 E N . 53248 1 213 . 1 . 1 184 184 LEU H H 1 7.619000 . . 1 . . . . . 184 L H . 53248 1 214 . 1 . 1 184 184 LEU N N 15 120.427000 . . 1 . . . . . 184 L N . 53248 1 215 . 1 . 1 185 185 GLY H H 1 9.419000 . . 1 . . . . . 185 G H . 53248 1 216 . 1 . 1 185 185 GLY N N 15 104.962000 . . 1 . . . . . 185 G N . 53248 1 217 . 1 . 1 186 186 VAL H H 1 10.151000 . . 1 . . . . . 186 V H . 53248 1 218 . 1 . 1 186 186 VAL N N 15 122.920000 . . 1 . . . . . 186 V N . 53248 1 219 . 1 . 1 187 187 ILE H H 1 9.245000 . . 1 . . . . . 187 I H . 53248 1 220 . 1 . 1 187 187 ILE N N 15 123.600000 . . 1 . . . . . 187 I N . 53248 1 221 . 1 . 1 188 188 LEU H H 1 7.572000 . . 1 . . . . . 188 L H . 53248 1 222 . 1 . 1 188 188 LEU N N 15 123.689000 . . 1 . . . . . 188 L N . 53248 1 223 . 1 . 1 189 189 ALA H H 1 8.305000 . . 1 . . . . . 189 A H . 53248 1 224 . 1 . 1 189 189 ALA N N 15 125.752000 . . 1 . . . . . 189 A N . 53248 1 225 . 1 . 1 190 190 THR H H 1 9.008000 . . 1 . . . . . 190 T H . 53248 1 226 . 1 . 1 190 190 THR N N 15 119.939000 . . 1 . . . . . 190 T N . 53248 1 227 . 1 . 1 192 192 GLU H H 1 10.517000 . . 1 . . . . . 192 E H . 53248 1 228 . 1 . 1 192 192 GLU N N 15 125.073000 . . 1 . . . . . 192 E N . 53248 1 229 . 1 . 1 193 193 ALA H H 1 7.466000 . . 1 . . . . . 193 A H . 53248 1 230 . 1 . 1 193 193 ALA N N 15 118.501000 . . 1 . . . . . 193 A N . 53248 1 231 . 1 . 1 194 194 GLY H H 1 8.127000 . . 1 . . . . . 194 G H . 53248 1 232 . 1 . 1 194 194 GLY N N 15 107.228000 . . 1 . . . . . 194 G N . 53248 1 233 . 1 . 1 195 195 ASN H H 1 7.352000 . . 1 . . . . . 195 N H . 53248 1 234 . 1 . 1 195 195 ASN N N 15 116.292000 . . 1 . . . . . 195 N N . 53248 1 235 . 1 . 1 196 196 THR H H 1 8.885000 . . 1 . . . . . 196 T H . 53248 1 236 . 1 . 1 196 196 THR N N 15 122.622000 . . 1 . . . . . 196 T N . 53248 1 237 . 1 . 1 197 197 MET H H 1 8.107000 . . 1 . . . . . 197 M H . 53248 1 238 . 1 . 1 197 197 MET N N 15 123.203000 . . 1 . . . . . 197 M N . 53248 1 239 . 1 . 1 198 198 TYR H H 1 8.481000 . . 1 . . . . . 198 Y H . 53248 1 240 . 1 . 1 198 198 TYR N N 15 117.028000 . . 1 . . . . . 198 Y N . 53248 1 241 . 1 . 1 203 203 ARG H H 1 8.290000 . . 1 . . . . . 203 R H . 53248 1 242 . 1 . 1 203 203 ARG N N 15 117.142000 . . 1 . . . . . 203 R N . 53248 1 243 . 1 . 1 204 204 GLU H H 1 7.085000 . . 1 . . . . . 204 E H . 53248 1 244 . 1 . 1 204 204 GLU N N 15 117.482000 . . 1 . . . . . 204 E N . 53248 1 245 . 1 . 1 205 205 TYR H H 1 8.786000 . . 1 . . . . . 205 Y H . 53248 1 246 . 1 . 1 205 205 TYR N N 15 122.693000 . . 1 . . . . . 205 Y N . 53248 1 247 . 1 . 1 206 206 ARG H H 1 9.364000 . . 1 . . . . . 206 R H . 53248 1 248 . 1 . 1 206 206 ARG N N 15 119.645000 . . 1 . . . . . 206 R N . 53248 1 249 . 1 . 1 207 207 ASP H H 1 8.801000 . . 1 . . . . . 207 D H . 53248 1 250 . 1 . 1 207 207 ASP N N 15 127.849000 . . 1 . . . . . 207 D N . 53248 1 251 . 1 . 1 209 209 ILE H H 1 8.870000 . . 1 . . . . . 209 I H . 53248 1 252 . 1 . 1 209 209 ILE N N 15 121.844000 . . 1 . . . . . 209 I N . 53248 1 253 . 1 . 1 210 210 THR H H 1 7.520000 . . 1 . . . . . 210 T H . 53248 1 254 . 1 . 1 210 210 THR N N 15 108.587000 . . 1 . . . . . 210 T N . 53248 1 255 . 1 . 1 211 211 GLY H H 1 8.343000 . . 1 . . . . . 211 G H . 53248 1 256 . 1 . 1 211 211 GLY N N 15 111.703000 . . 1 . . . . . 211 G N . 53248 1 257 . 1 . 1 212 212 LEU H H 1 7.748000 . . 1 . . . . . 212 L H . 53248 1 258 . 1 . 1 212 212 LEU N N 15 121.220000 . . 1 . . . . . 212 L N . 53248 1 259 . 1 . 1 213 213 THR H H 1 8.176000 . . 1 . . . . . 213 T H . 53248 1 260 . 1 . 1 213 213 THR N N 15 112.213000 . . 1 . . . . . 213 T N . 53248 1 261 . 1 . 1 214 214 GLU H H 1 8.931000 . . 1 . . . . . 214 E H . 53248 1 262 . 1 . 1 214 214 GLU N N 15 119.748000 . . 1 . . . . . 214 E N . 53248 1 263 . 1 . 1 215 215 LEU H H 1 8.450000 . . 1 . . . . . 215 L H . 53248 1 264 . 1 . 1 215 215 LEU N N 15 123.600000 . . 1 . . . . . 215 L N . 53248 1 265 . 1 . 1 216 216 ARG H H 1 8.298000 . . 1 . . . . . 216 R H . 53248 1 266 . 1 . 1 216 216 ARG N N 15 118.784000 . . 1 . . . . . 216 R N . 53248 1 267 . 1 . 1 217 217 LYS H H 1 8.779000 . . 1 . . . . . 217 K H . 53248 1 268 . 1 . 1 217 217 LYS N N 15 124.206000 . . 1 . . . . . 217 K N . 53248 1 269 . 1 . 1 218 218 VAL H H 1 7.504000 . . 1 . . . . . 218 V H . 53248 1 270 . 1 . 1 218 218 VAL N N 15 128.018000 . . 1 . . . . . 218 V N . 53248 1 271 . 1 . 1 219 219 ALA H H 1 7.962000 . . 1 . . . . . 219 A H . 53248 1 272 . 1 . 1 219 219 ALA N N 15 130.001000 . . 1 . . . . . 219 A N . 53248 1 273 . 1 . 1 220 220 LYS H H 1 8.051000 . . 1 . . . . . 220 K H . 53248 1 274 . 1 . 1 220 220 LYS N N 15 123.733000 . . 1 . . . . . 220 K N . 53248 1 stop_ save_