data_52653 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52653 _Entry.Title ; Backbone 1H, 15N relaxation of FUS LC-RGG1 condensed phase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-10-24 _Entry.Accession_date 2024-10-24 _Entry.Last_release_date 2024-10-24 _Entry.Original_release_date 2024-10-24 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'R1, R2, heteronuclear NOE values for wild type FUS LC-RGG1 Condensed phase' _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 Noah Wake . . . 0000-0003-4119-2574 52653 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 52653 heteronucl_T1_relaxation 1 52653 heteronucl_T2_relaxation 1 52653 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 206 52653 'T2 relaxation values' 205 52653 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 . . 2025-01-31 . original BMRB . 52653 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52669 'FUS LCRGG1 dispersed phase 1H-15N backbone relaxation' 52653 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52653 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38405719 _Citation.DOI 10.1101/2024.02.15.580391 _Citation.Full_citation . _Citation.Title ; Expanding the molecular grammar of polar residues and arginine in FUS prion-like domain phase separation and aggregation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full 'bioRxiv : the preprint server for biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2692-8205 _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 2024 _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 Noah Wake N. . . . 52653 1 2 Shuo-Lin Weng S. L. . . 52653 1 3 Tongyin Zheng T. . . . 52653 1 4 Szu-Huan Wang S. H. . . 52653 1 5 Valentin Kirilenko V. . . . 52653 1 6 Jeetain Mittal J. . . . 52653 1 7 Nicolas Fawzi N. L. . . 52653 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52653 _Assembly.ID 1 _Assembly.Name 'Fused in Sarcoma LC-RGG1 domain' _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 no _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 'FUS LC-RGG1 condensed phase' 1 $entity_1 . . yes native no no . . . 52653 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52653 _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 ; MASNDYTQQATQSYGAYPTQ PGQGYSQQSSQPYGQQSYSG YSQSTDTSGYGQSSYSSYGQ SQNTGYGTQSTPQGYGSTGG YGSSQSSQSSYGQQSSYPGY GQQPAPSSTSGSYGSSSQSS SYGQPQSGSYSQQPSYGGQQ QSYGQQQSYNPPQGYGQQNQ YNSSSGGGGGGGGGGNYGQD QSSMSSGGGSGGGYGNQDQS GGGGSGGYGQQDRGGRGRGG SGGGGGGGGGGYNRSSGGYE PRGRGGGRGGRGGMGGSDRG GFNKFGGPRDQGSRHDSEQD NSDN ; _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 284 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_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 . 52653 1 2 . ALA . 52653 1 3 . SER . 52653 1 4 . ASN . 52653 1 5 . ASP . 52653 1 6 . TYR . 52653 1 7 . THR . 52653 1 8 . GLN . 52653 1 9 . GLN . 52653 1 10 . ALA . 52653 1 11 . THR . 52653 1 12 . GLN . 52653 1 13 . SER . 52653 1 14 . TYR . 52653 1 15 . GLY . 52653 1 16 . ALA . 52653 1 17 . TYR . 52653 1 18 . PRO . 52653 1 19 . THR . 52653 1 20 . GLN . 52653 1 21 . PRO . 52653 1 22 . GLY . 52653 1 23 . GLN . 52653 1 24 . GLY . 52653 1 25 . TYR . 52653 1 26 . SER . 52653 1 27 . GLN . 52653 1 28 . GLN . 52653 1 29 . SER . 52653 1 30 . SER . 52653 1 31 . GLN . 52653 1 32 . PRO . 52653 1 33 . TYR . 52653 1 34 . GLY . 52653 1 35 . GLN . 52653 1 36 . GLN . 52653 1 37 . SER . 52653 1 38 . TYR . 52653 1 39 . SER . 52653 1 40 . GLY . 52653 1 41 . TYR . 52653 1 42 . SER . 52653 1 43 . GLN . 52653 1 44 . SER . 52653 1 45 . THR . 52653 1 46 . ASP . 52653 1 47 . THR . 52653 1 48 . SER . 52653 1 49 . GLY . 52653 1 50 . TYR . 52653 1 51 . GLY . 52653 1 52 . GLN . 52653 1 53 . SER . 52653 1 54 . SER . 52653 1 55 . TYR . 52653 1 56 . SER . 52653 1 57 . SER . 52653 1 58 . TYR . 52653 1 59 . GLY . 52653 1 60 . GLN . 52653 1 61 . SER . 52653 1 62 . GLN . 52653 1 63 . ASN . 52653 1 64 . THR . 52653 1 65 . GLY . 52653 1 66 . TYR . 52653 1 67 . GLY . 52653 1 68 . THR . 52653 1 69 . GLN . 52653 1 70 . SER . 52653 1 71 . THR . 52653 1 72 . PRO . 52653 1 73 . GLN . 52653 1 74 . GLY . 52653 1 75 . TYR . 52653 1 76 . GLY . 52653 1 77 . SER . 52653 1 78 . THR . 52653 1 79 . GLY . 52653 1 80 . GLY . 52653 1 81 . TYR . 52653 1 82 . GLY . 52653 1 83 . SER . 52653 1 84 . SER . 52653 1 85 . GLN . 52653 1 86 . SER . 52653 1 87 . SER . 52653 1 88 . GLN . 52653 1 89 . SER . 52653 1 90 . SER . 52653 1 91 . TYR . 52653 1 92 . GLY . 52653 1 93 . GLN . 52653 1 94 . GLN . 52653 1 95 . SER . 52653 1 96 . SER . 52653 1 97 . TYR . 52653 1 98 . PRO . 52653 1 99 . GLY . 52653 1 100 . TYR . 52653 1 101 . GLY . 52653 1 102 . GLN . 52653 1 103 . GLN . 52653 1 104 . PRO . 52653 1 105 . ALA . 52653 1 106 . PRO . 52653 1 107 . SER . 52653 1 108 . SER . 52653 1 109 . THR . 52653 1 110 . SER . 52653 1 111 . GLY . 52653 1 112 . SER . 52653 1 113 . TYR . 52653 1 114 . GLY . 52653 1 115 . SER . 52653 1 116 . SER . 52653 1 117 . SER . 52653 1 118 . GLN . 52653 1 119 . SER . 52653 1 120 . SER . 52653 1 121 . SER . 52653 1 122 . TYR . 52653 1 123 . GLY . 52653 1 124 . GLN . 52653 1 125 . PRO . 52653 1 126 . GLN . 52653 1 127 . SER . 52653 1 128 . GLY . 52653 1 129 . SER . 52653 1 130 . TYR . 52653 1 131 . SER . 52653 1 132 . GLN . 52653 1 133 . GLN . 52653 1 134 . PRO . 52653 1 135 . SER . 52653 1 136 . TYR . 52653 1 137 . GLY . 52653 1 138 . GLY . 52653 1 139 . GLN . 52653 1 140 . GLN . 52653 1 141 . GLN . 52653 1 142 . SER . 52653 1 143 . TYR . 52653 1 144 . GLY . 52653 1 145 . GLN . 52653 1 146 . GLN . 52653 1 147 . GLN . 52653 1 148 . SER . 52653 1 149 . TYR . 52653 1 150 . ASN . 52653 1 151 . PRO . 52653 1 152 . PRO . 52653 1 153 . GLN . 52653 1 154 . GLY . 52653 1 155 . TYR . 52653 1 156 . GLY . 52653 1 157 . GLN . 52653 1 158 . GLN . 52653 1 159 . ASN . 52653 1 160 . GLN . 52653 1 161 . TYR . 52653 1 162 . ASN . 52653 1 163 . SER . 52653 1 164 . SER . 52653 1 165 . SER . 52653 1 166 . GLY . 52653 1 167 . GLY . 52653 1 168 . GLY . 52653 1 169 . GLY . 52653 1 170 . GLY . 52653 1 171 . GLY . 52653 1 172 . GLY . 52653 1 173 . GLY . 52653 1 174 . GLY . 52653 1 175 . GLY . 52653 1 176 . ASN . 52653 1 177 . TYR . 52653 1 178 . GLY . 52653 1 179 . GLN . 52653 1 180 . ASP . 52653 1 181 . GLN . 52653 1 182 . SER . 52653 1 183 . SER . 52653 1 184 . MET . 52653 1 185 . SER . 52653 1 186 . SER . 52653 1 187 . GLY . 52653 1 188 . GLY . 52653 1 189 . GLY . 52653 1 190 . SER . 52653 1 191 . GLY . 52653 1 192 . GLY . 52653 1 193 . GLY . 52653 1 194 . TYR . 52653 1 195 . GLY . 52653 1 196 . ASN . 52653 1 197 . GLN . 52653 1 198 . ASP . 52653 1 199 . GLN . 52653 1 200 . SER . 52653 1 201 . GLY . 52653 1 202 . GLY . 52653 1 203 . GLY . 52653 1 204 . GLY . 52653 1 205 . SER . 52653 1 206 . GLY . 52653 1 207 . GLY . 52653 1 208 . TYR . 52653 1 209 . GLY . 52653 1 210 . GLN . 52653 1 211 . GLN . 52653 1 212 . ASP . 52653 1 213 . ARG . 52653 1 214 . GLY . 52653 1 215 . GLY . 52653 1 216 . ARG . 52653 1 217 . GLY . 52653 1 218 . ARG . 52653 1 219 . GLY . 52653 1 220 . GLY . 52653 1 221 . SER . 52653 1 222 . GLY . 52653 1 223 . GLY . 52653 1 224 . GLY . 52653 1 225 . GLY . 52653 1 226 . GLY . 52653 1 227 . GLY . 52653 1 228 . GLY . 52653 1 229 . GLY . 52653 1 230 . GLY . 52653 1 231 . GLY . 52653 1 232 . TYR . 52653 1 233 . ASN . 52653 1 234 . ARG . 52653 1 235 . SER . 52653 1 236 . SER . 52653 1 237 . GLY . 52653 1 238 . GLY . 52653 1 239 . TYR . 52653 1 240 . GLU . 52653 1 241 . PRO . 52653 1 242 . ARG . 52653 1 243 . GLY . 52653 1 244 . ARG . 52653 1 245 . GLY . 52653 1 246 . GLY . 52653 1 247 . GLY . 52653 1 248 . ARG . 52653 1 249 . GLY . 52653 1 250 . GLY . 52653 1 251 . ARG . 52653 1 252 . GLY . 52653 1 253 . GLY . 52653 1 254 . MET . 52653 1 255 . GLY . 52653 1 256 . GLY . 52653 1 257 . SER . 52653 1 258 . ASP . 52653 1 259 . ARG . 52653 1 260 . GLY . 52653 1 261 . GLY . 52653 1 262 . PHE . 52653 1 263 . ASN . 52653 1 264 . LYS . 52653 1 265 . PHE . 52653 1 266 . GLY . 52653 1 267 . GLY . 52653 1 268 . PRO . 52653 1 269 . ARG . 52653 1 270 . ASP . 52653 1 271 . GLN . 52653 1 272 . GLY . 52653 1 273 . SER . 52653 1 274 . ARG . 52653 1 275 . HIS . 52653 1 276 . ASP . 52653 1 277 . SER . 52653 1 278 . GLU . 52653 1 279 . GLN . 52653 1 280 . ASP . 52653 1 281 . ASN . 52653 1 282 . SER . 52653 1 283 . ASP . 52653 1 284 . ASN . 52653 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 52653 1 . ALA 2 2 52653 1 . SER 3 3 52653 1 . ASN 4 4 52653 1 . ASP 5 5 52653 1 . TYR 6 6 52653 1 . THR 7 7 52653 1 . GLN 8 8 52653 1 . GLN 9 9 52653 1 . ALA 10 10 52653 1 . THR 11 11 52653 1 . GLN 12 12 52653 1 . SER 13 13 52653 1 . TYR 14 14 52653 1 . GLY 15 15 52653 1 . ALA 16 16 52653 1 . TYR 17 17 52653 1 . PRO 18 18 52653 1 . THR 19 19 52653 1 . GLN 20 20 52653 1 . PRO 21 21 52653 1 . GLY 22 22 52653 1 . GLN 23 23 52653 1 . GLY 24 24 52653 1 . TYR 25 25 52653 1 . SER 26 26 52653 1 . GLN 27 27 52653 1 . GLN 28 28 52653 1 . SER 29 29 52653 1 . SER 30 30 52653 1 . GLN 31 31 52653 1 . PRO 32 32 52653 1 . TYR 33 33 52653 1 . GLY 34 34 52653 1 . GLN 35 35 52653 1 . GLN 36 36 52653 1 . SER 37 37 52653 1 . TYR 38 38 52653 1 . SER 39 39 52653 1 . GLY 40 40 52653 1 . TYR 41 41 52653 1 . SER 42 42 52653 1 . GLN 43 43 52653 1 . SER 44 44 52653 1 . THR 45 45 52653 1 . ASP 46 46 52653 1 . THR 47 47 52653 1 . SER 48 48 52653 1 . GLY 49 49 52653 1 . TYR 50 50 52653 1 . GLY 51 51 52653 1 . GLN 52 52 52653 1 . SER 53 53 52653 1 . SER 54 54 52653 1 . TYR 55 55 52653 1 . SER 56 56 52653 1 . SER 57 57 52653 1 . TYR 58 58 52653 1 . GLY 59 59 52653 1 . GLN 60 60 52653 1 . SER 61 61 52653 1 . GLN 62 62 52653 1 . ASN 63 63 52653 1 . THR 64 64 52653 1 . GLY 65 65 52653 1 . TYR 66 66 52653 1 . GLY 67 67 52653 1 . THR 68 68 52653 1 . GLN 69 69 52653 1 . SER 70 70 52653 1 . THR 71 71 52653 1 . PRO 72 72 52653 1 . GLN 73 73 52653 1 . GLY 74 74 52653 1 . TYR 75 75 52653 1 . GLY 76 76 52653 1 . SER 77 77 52653 1 . THR 78 78 52653 1 . GLY 79 79 52653 1 . GLY 80 80 52653 1 . TYR 81 81 52653 1 . GLY 82 82 52653 1 . SER 83 83 52653 1 . SER 84 84 52653 1 . GLN 85 85 52653 1 . SER 86 86 52653 1 . SER 87 87 52653 1 . GLN 88 88 52653 1 . SER 89 89 52653 1 . SER 90 90 52653 1 . TYR 91 91 52653 1 . GLY 92 92 52653 1 . GLN 93 93 52653 1 . GLN 94 94 52653 1 . SER 95 95 52653 1 . SER 96 96 52653 1 . TYR 97 97 52653 1 . PRO 98 98 52653 1 . GLY 99 99 52653 1 . TYR 100 100 52653 1 . GLY 101 101 52653 1 . GLN 102 102 52653 1 . GLN 103 103 52653 1 . PRO 104 104 52653 1 . ALA 105 105 52653 1 . PRO 106 106 52653 1 . SER 107 107 52653 1 . SER 108 108 52653 1 . THR 109 109 52653 1 . SER 110 110 52653 1 . GLY 111 111 52653 1 . SER 112 112 52653 1 . TYR 113 113 52653 1 . GLY 114 114 52653 1 . SER 115 115 52653 1 . SER 116 116 52653 1 . SER 117 117 52653 1 . GLN 118 118 52653 1 . SER 119 119 52653 1 . SER 120 120 52653 1 . SER 121 121 52653 1 . TYR 122 122 52653 1 . GLY 123 123 52653 1 . GLN 124 124 52653 1 . PRO 125 125 52653 1 . GLN 126 126 52653 1 . SER 127 127 52653 1 . GLY 128 128 52653 1 . SER 129 129 52653 1 . TYR 130 130 52653 1 . SER 131 131 52653 1 . GLN 132 132 52653 1 . GLN 133 133 52653 1 . PRO 134 134 52653 1 . SER 135 135 52653 1 . TYR 136 136 52653 1 . GLY 137 137 52653 1 . GLY 138 138 52653 1 . GLN 139 139 52653 1 . GLN 140 140 52653 1 . GLN 141 141 52653 1 . SER 142 142 52653 1 . TYR 143 143 52653 1 . GLY 144 144 52653 1 . GLN 145 145 52653 1 . GLN 146 146 52653 1 . GLN 147 147 52653 1 . SER 148 148 52653 1 . TYR 149 149 52653 1 . ASN 150 150 52653 1 . PRO 151 151 52653 1 . PRO 152 152 52653 1 . GLN 153 153 52653 1 . GLY 154 154 52653 1 . TYR 155 155 52653 1 . GLY 156 156 52653 1 . GLN 157 157 52653 1 . GLN 158 158 52653 1 . ASN 159 159 52653 1 . GLN 160 160 52653 1 . TYR 161 161 52653 1 . ASN 162 162 52653 1 . SER 163 163 52653 1 . SER 164 164 52653 1 . SER 165 165 52653 1 . GLY 166 166 52653 1 . GLY 167 167 52653 1 . GLY 168 168 52653 1 . GLY 169 169 52653 1 . GLY 170 170 52653 1 . GLY 171 171 52653 1 . GLY 172 172 52653 1 . GLY 173 173 52653 1 . GLY 174 174 52653 1 . GLY 175 175 52653 1 . ASN 176 176 52653 1 . TYR 177 177 52653 1 . GLY 178 178 52653 1 . GLN 179 179 52653 1 . ASP 180 180 52653 1 . GLN 181 181 52653 1 . SER 182 182 52653 1 . SER 183 183 52653 1 . MET 184 184 52653 1 . SER 185 185 52653 1 . SER 186 186 52653 1 . GLY 187 187 52653 1 . GLY 188 188 52653 1 . GLY 189 189 52653 1 . SER 190 190 52653 1 . GLY 191 191 52653 1 . GLY 192 192 52653 1 . GLY 193 193 52653 1 . TYR 194 194 52653 1 . GLY 195 195 52653 1 . ASN 196 196 52653 1 . GLN 197 197 52653 1 . ASP 198 198 52653 1 . GLN 199 199 52653 1 . SER 200 200 52653 1 . GLY 201 201 52653 1 . GLY 202 202 52653 1 . GLY 203 203 52653 1 . GLY 204 204 52653 1 . SER 205 205 52653 1 . GLY 206 206 52653 1 . GLY 207 207 52653 1 . TYR 208 208 52653 1 . GLY 209 209 52653 1 . GLN 210 210 52653 1 . GLN 211 211 52653 1 . ASP 212 212 52653 1 . ARG 213 213 52653 1 . GLY 214 214 52653 1 . GLY 215 215 52653 1 . ARG 216 216 52653 1 . GLY 217 217 52653 1 . ARG 218 218 52653 1 . GLY 219 219 52653 1 . GLY 220 220 52653 1 . SER 221 221 52653 1 . GLY 222 222 52653 1 . GLY 223 223 52653 1 . GLY 224 224 52653 1 . GLY 225 225 52653 1 . GLY 226 226 52653 1 . GLY 227 227 52653 1 . GLY 228 228 52653 1 . GLY 229 229 52653 1 . GLY 230 230 52653 1 . GLY 231 231 52653 1 . TYR 232 232 52653 1 . ASN 233 233 52653 1 . ARG 234 234 52653 1 . SER 235 235 52653 1 . SER 236 236 52653 1 . GLY 237 237 52653 1 . GLY 238 238 52653 1 . TYR 239 239 52653 1 . GLU 240 240 52653 1 . PRO 241 241 52653 1 . ARG 242 242 52653 1 . GLY 243 243 52653 1 . ARG 244 244 52653 1 . GLY 245 245 52653 1 . GLY 246 246 52653 1 . GLY 247 247 52653 1 . ARG 248 248 52653 1 . GLY 249 249 52653 1 . GLY 250 250 52653 1 . ARG 251 251 52653 1 . GLY 252 252 52653 1 . GLY 253 253 52653 1 . MET 254 254 52653 1 . GLY 255 255 52653 1 . GLY 256 256 52653 1 . SER 257 257 52653 1 . ASP 258 258 52653 1 . ARG 259 259 52653 1 . GLY 260 260 52653 1 . GLY 261 261 52653 1 . PHE 262 262 52653 1 . ASN 263 263 52653 1 . LYS 264 264 52653 1 . PHE 265 265 52653 1 . GLY 266 266 52653 1 . GLY 267 267 52653 1 . PRO 268 268 52653 1 . ARG 269 269 52653 1 . ASP 270 270 52653 1 . GLN 271 271 52653 1 . GLY 272 272 52653 1 . SER 273 273 52653 1 . ARG 274 274 52653 1 . HIS 275 275 52653 1 . ASP 276 276 52653 1 . SER 277 277 52653 1 . GLU 278 278 52653 1 . GLN 279 279 52653 1 . ASP 280 280 52653 1 . ASN 281 281 52653 1 . SER 282 282 52653 1 . ASP 283 283 52653 1 . ASN 284 284 52653 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 52653 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52653 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 52653 _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 . . . plasmid . . RP1B . . . 52653 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52653 _Sample.ID 1 _Sample.Name '1H, 15N FUS LC-RGG1 condensed phase' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Fused in Sarcoma LC-RGG1 domain' [U-15N] . . 1 $entity_1 . . ~300 . . mg/mL . . . . 52653 1 2 D2O [U-2H] . . . . . . 10 . . '% v/v' . . . . 52653 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52653 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52653 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 52653 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'FUS LC-RGG1 condensed phase' _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' 150 . mM 52653 1 pH 5.5 . pH 52653 1 pressure 1 . atm 52653 1 temperature 298 . K 52653 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52653 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52653 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52653 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52653 2 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 52653 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD - 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 52653 _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 'T1/R1 relaxation' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52653 1 2 'T2/R2 relaxation' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52653 1 3 '15N-(1H) NOE' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52653 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 'T1/R1 relaxation' 123_T1.zip . 'Time-domain (raw spectral data)' . . 52653 1 2 'T2/R2 relaxation' 124_T2.zip . 'Time-domain (raw spectral data)' . . 52653 1 3 '15N-(1H) NOE' 125_NOE.zip . 'Time-domain (raw spectral data)' . . 52653 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 52653 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'LC-RGG1 NOE' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 850 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format text _Heteronucl_NOE_list.Text_data ; Number # Sat Peak Ref Peak 1H shift A 1H shift B 15N shift A 15N shift B Closeness Score Intensity A Intensity B Intensity Ratio Residue 1 4 2AlaH,N 2AlaH,N 8.53740 8.53740 125.52008 125.52008 0 8.47515e+08 2.73085e+09 0.31035 2 2 134 3SerH,N 3SerH,N 8.27288 8.27288 114.94748 114.94748 0 7.74956e+08 2.03706e+09 0.38043 3 3 55 4AsnH,N 4AsnH,N 8.40101 8.40101 120.29112 120.29112 0 6.48345e+08 1.34388e+09 0.48244 4 4 140 6TyrH,N 6TyrH,N 8.19288 8.19288 120.90000 120.90000 0 2.92733e+08 5.62176e+08 0.52071 6 5 78 7ThrH,N 7ThrH,N 8.06153 8.06153 114.80616 114.80616 0 2.37562e+08 4.10438e+08 0.57880 7 6 166 9GlnH,N 9GlnH,N 8.26882 8.26882 120.93697 120.93697 0 2.39172e+08 4.53996e+08 0.52681 9 7 5 10AlaH,N 10AlaH,N 8.33696 8.33696 124.79524 124.79524 0 2.32224e+08 4.89379e+08 0.47453 10 8 160 11ThrH,N 11ThrH,N 8.06039 8.06039 112.83694 112.83694 0 1.91077e+08 4.14921e+08 0.46051 11 9 135 12GlnH,N (113Tyr/12Gln)H,N 8.29943 8.27520 122.19655 122.16144 0.04265 1.01084e+08 1.30800e+09 0.07728 12,113 10 167 13SerH,N 13SerH,N 8.24243 8.24243 116.69114 116.69114 0 2.13497e+08 4.44147e+08 0.48069 13 11 113 14TyrH,N 14TyrH,N 8.21774 8.21774 121.99789 121.99789 0 3.90310e+08 6.85641e+08 0.56926 14 12 80 15GlyH,N 15GlyH,N 8.21954 8.21954 110.18822 110.18822 0 1.97056e+08 3.63559e+08 0.54202 15 13 61 16AlaH,N 16AlaH,N 7.93513 7.93513 123.19755 123.19755 0 9.36997e+07 1.36326e+08 0.68732 16 14 176 17TyrH,N 17TyrH,N 8.09028 8.09028 120.20214 120.20214 0 3.76530e+08 6.78971e+08 0.55456 17 15 144 19ThrH,N 19ThrH,N 8.13896 8.13896 114.09817 114.09817 0 6.05975e+07 8.81707e+07 0.68727 19 16 183 20GlnH,N 20GlnH,N 8.29623 8.29623 123.02036 123.02036 0 5.35671e+07 8.66682e+07 0.61807 20 17 172 22GlyH,N 22GlyH,N 8.47101 8.47101 109.42641 109.42641 0 8.08529e+07 1.65971e+08 0.48715 22 18 179 23GlnH,N 23GlnH,N 8.15193 8.15193 119.37467 119.37467 0 1.70846e+08 3.44210e+08 0.49634 23 19 89 24GlyH,N 24GlyH,N 8.40300 8.40300 109.64360 109.64360 0 1.96625e+08 4.08902e+08 0.48086 24 20 164 26SerH,N 26SerH,N 8.22001 8.22001 117.67638 117.67638 0 1.17602e+08 2.54929e+08 0.46131 26 21 174 27GlnH,N 27GlnH,N 8.38162 8.38162 122.26074 122.26074 0 1.59683e+08 3.07023e+08 0.52010 27 22 42 28GlnH,N 28GlnH,N 8.37391 8.37391 121.04927 121.04927 0 7.40315e+08 1.45637e+09 0.50833 28 23 129 29SerH,N 29SerH,N 8.30032 8.30032 116.50725 116.50725 0 5.50111e+08 1.10840e+09 0.49631 29 24 132 30SerH,N 30SerH,N 8.30393 8.30393 117.51610 117.51610 0 3.16526e+08 6.68901e+08 0.47320 30 25 22 36GlnH,N 36GlnH,N 8.45657 8.45657 121.29386 121.29386 0 7.59507e+08 1.44944e+09 0.52400 36 26 119 37SerH,N 37SerH,N 8.26819 8.26819 116.57809 116.57809 0 2.51861e+08 4.94411e+08 0.50942 37 27 12 39SerH,N 39SerH,N 8.25722 8.25722 117.68969 117.68969 0 5.62106e+08 1.19706e+09 0.46957 39 28 173 40GlyH,N 40GlyH,N 7.82285 7.82285 110.02846 110.02846 0 9.24025e+07 1.77975e+08 0.51919 40 29 117 41TyrH,N 41TyrH,N 7.99939 7.99939 119.95579 119.95579 0 1.46251e+08 2.42163e+08 0.60394 41 30 124 42SerH,N 42SerH,N 8.23130 8.23130 117.70175 117.70175 0 1.47134e+08 2.78060e+08 0.52914 42 31 71 43GlnH,N 43GlnH,N 8.35971 8.35971 122.24005 122.24005 0 1.62887e+08 3.20607e+08 0.50806 43 32 168 45ThrH,N 45ThrH,N 8.18188 8.18188 115.36486 115.36486 0 1.70972e+08 3.34529e+08 0.51108 45 33 62 46AspH,N 46AspH,N 8.34363 8.34363 122.69690 122.69690 0 1.81325e+08 2.85024e+08 0.63617 46 34 36 47ThrH,N 47ThrH,N 8.22175 8.22175 114.43045 114.43045 0 1.57758e+08 3.24454e+08 0.48622 47 35 50 48SerH,N 48SerH,N 8.37838 8.37838 118.15795 118.15795 0 1.54983e+08 2.93745e+08 0.52761 48 36 143 49GlyH,N 49GlyH,N 8.32026 8.32026 110.44100 110.44100 0 3.65406e+08 6.40136e+08 0.57083 49 37 93 53SerH,N 53SerH,N 8.39599 8.39599 116.72173 116.72173 0 1.15086e+08 2.47248e+08 0.46547 53 38 131 54SerH,N 54SerH,N 8.26325 8.26325 117.43171 117.43171 0 4.19893e+08 8.19762e+08 0.51221 54 39 40 56SerH,N 56SerH,N 8.10279 8.10279 116.79151 116.79151 0 9.96948e+07 2.00108e+08 0.49821 56 40 162 57SerH,N 57SerH,N 8.20568 8.20568 117.59320 117.59320 0 1.38348e+08 2.42259e+08 0.57108 57 41 153 59GlyH,N 59GlyH,N 8.24867 8.24867 110.24920 110.24920 0 2.80535e+08 4.87230e+08 0.57578 59 42 59 62GlnH,N 62GlnH,N 8.41538 8.41538 121.67953 121.67953 0 4.58731e+08 8.08328e+08 0.56751 62 43 13 63AsnH,N 63AsnH,N 8.44586 8.44586 119.63611 119.63611 0 1.52786e+08 3.26886e+08 0.46740 63 44 79 64ThrH,N 64ThrH,N 8.12260 8.12260 113.60495 113.60495 0 2.03899e+08 3.98521e+08 0.51164 64 45 66 68ThrH,N 68ThrH,N 8.05339 8.05339 113.36845 113.36845 0 2.13898e+08 3.77924e+08 0.56598 68 46 158 69GlnH,N 69GlnH,N 8.46896 8.46896 122.30351 122.30351 0 7.42173e+08 1.36606e+09 0.54330 69 47 182 70SerH,N 70SerH,N 8.35457 8.35457 117.07446 117.07446 0 1.44604e+08 3.43513e+08 0.42096 70 48 97 71ThrH,N 71ThrH,N 8.15425 8.15425 117.42337 117.42337 0 1.03377e+08 2.02337e+08 0.51092 71 49 52 73GlnH,N 73GlnH,N 8.42006 8.42006 120.33535 120.33535 0 2.15314e+08 3.99572e+08 0.53886 73 50 178 74GlyH,N 74GlyH,N 8.29681 8.29681 109.72114 109.72114 0 1.40972e+08 2.61143e+08 0.53983 74 51 146 75TyrH,N 75TyrH,N 8.09882 8.09882 120.17288 120.17288 0 3.86410e+08 6.76677e+08 0.57104 75 52 159 76GlyH,N 76GlyH,N 8.37045 8.37045 110.71295 110.71295 0 4.87704e+08 9.31095e+08 0.52380 76 53 91 77SerH,N 77SerH,N 8.20208 8.20208 115.60318 115.60318 0 4.40002e+08 8.84146e+08 0.49766 77 54 147 78ThrH,N 78ThrH,N 8.24728 8.24728 114.79091 114.79091 0 3.07371e+08 6.58983e+08 0.46643 78 55 170 79GlyH,N 79GlyH,N 8.31885 8.31885 110.61705 110.61705 0 7.24567e+08 1.35481e+09 0.53481 79 56 20 80GlyH,N 80GlyH,N 8.17722 8.17722 108.41078 108.41078 0 6.10904e+08 1.11798e+09 0.54644 80 57 156 82GlyH,N 82GlyH,N 8.37144 8.37144 110.79453 110.79453 0 4.48536e+08 8.12618e+08 0.55196 82 58 23 83SerH,N 83SerH,N 8.16559 8.16559 115.53275 115.53275 0 5.37937e+08 1.02761e+09 0.52348 83 59 104 84SerH,N 84SerH,N 8.41014 8.41014 117.58190 117.58190 0 4.41626e+07 8.49067e+07 0.52013 84 60 17 85GlnH,N 85GlnH,N 8.39685 8.39685 121.83840 121.83840 0 3.42047e+08 6.69670e+08 0.51077 85 61 53 86SerH,N 86SerH,N 8.30562 8.30562 116.40525 116.40525 0 4.25511e+08 8.69538e+08 0.48935 86 62 32 87SerH,N 87SerH,N 8.35136 8.35136 117.53396 117.53396 0 4.04196e+08 8.05677e+08 0.50168 87 63 63 88GlnH,N 88GlnH,N 8.36444 8.36444 121.81149 121.81149 0 4.01804e+08 7.44529e+08 0.53968 88 64 141 89SerH,N 89SerH,N 8.28705 8.28705 116.42254 116.42254 0 6.36714e+08 1.28821e+09 0.49426 89 65 151 90SerH,N 90SerH,N 8.23070 8.23070 117.60048 117.60048 0 1.46378e+08 2.85652e+08 0.51244 90 66 43 91TyrH,N 91TyrH,N 8.16027 8.16027 121.76252 121.76252 0 3.34892e+08 6.02935e+08 0.55544 91 67 110 92GlyH,N 92GlyH,N 8.25333 8.25333 110.17462 110.17462 0 3.90256e+08 6.17621e+08 0.63187 92 68 105 95SerH,N 95SerH,N 8.31686 8.31686 116.55868 116.55868 0 2.91556e+08 5.61174e+08 0.51955 95 69 1 96SerH,N 96SerH,N 8.18704 8.18704 117.19809 117.19809 0 8.87220e+07 1.59104e+08 0.55763 96 70 120 97TyrH,N 97TyrH,N 8.13078 8.13078 122.63854 122.63854 0 6.28684e+07 1.06761e+08 0.58887 97 71 68 99GlyH,N 99GlyH,N 7.87103 7.87990 108.45858 108.48929 0.03197 4.29774e+07 7.80145e+07 0.55089 99 72 145 100TyrH,N 100TyrH,N 7.95198 7.95198 119.96551 119.96551 0 1.10897e+08 1.79290e+08 0.61853 100 73 28 101GlyH,N 101GlyH,N 8.36308 8.36491 111.18276 111.03274 0.15002 -2.12793e+07 5.31980e+07 -0.40000 101 74 123 102GlnH,N 102GlnH,N 8.10952 8.10952 119.56162 119.56162 0 1.58628e+08 2.88771e+08 0.54932 102 75 69 103GlnH,N 103GlnH,N 8.41772 8.41772 122.61851 122.61851 0 2.50299e+07 1.00521e+08 0.24900 103 76 126 105AlaH,N 105AlaH,N 8.36203 8.36861 125.36675 125.36895 0.00694 9.14511e+06 4.46182e+07 0.20496 105 77 171 107SerH,N 107SerH,N 8.38176 8.37846 115.68972 115.50379 0.18596 -7.05259e+07 6.60363e+07 -1.06799 107 78 54 108SerH,N 108SerH,N 8.40320 8.40320 117.57717 117.57717 0 5.21535e+07 1.24761e+08 0.41803 108 79 92 109ThrH,N 109ThrH,N 8.20978 8.20978 114.80651 114.80651 0 2.49468e+08 5.50531e+08 0.45314 109 80 70 110SerH,N 110SerH,N 8.25842 8.25842 117.55709 117.55709 0 4.08609e+08 7.87415e+08 0.51892 110 81 7 112SerH,N 112SerH,N 8.12082 8.12082 115.48733 115.48733 0 5.44229e+08 1.06313e+09 0.51191 112 82 112 113TyrH,N (113Tyr/12Gln)H,N 8.27520 8.27520 122.16144 122.16144 0 6.97085e+08 1.30800e+09 0.53294 12,113 83 86 114GlyH,N 114GlyH,N 8.28722 8.28722 110.47446 110.47446 0 4.82903e+08 9.27745e+08 0.52051 114 84 3 115SerH,N 115SerH,N 8.18103 8.18103 115.58732 115.58732 0 8.68335e+08 1.68993e+09 0.51383 115 85 180 116SerH,N 116SerH,N 8.44370 8.44370 117.72133 117.72133 0 4.81340e+08 9.75364e+08 0.49350 116 86 41 117SerH,N 117SerH,N 8.34566 8.34566 117.68033 117.68033 0 3.49703e+08 6.87704e+08 0.50851 117 87 130 118GlnH,N 118GlnH,N 8.33976 8.33976 121.82370 121.82370 0 5.35679e+08 1.08608e+09 0.49322 118 88 186 119SerH,N 119SerH,N 8.29612 8.29612 116.45385 116.45385 0 6.39188e+08 1.27226e+09 0.50240 119 89 106 120SerH,N 120SerH,N 8.33427 8.33427 117.58372 117.58372 0 9.11788e+08 1.85314e+09 0.49202 120 90 81 121SerH,N 121SerH,N 8.24144 8.24144 117.34412 117.34412 0 1.81014e+08 3.58507e+08 0.50491 121 91 88 122TyrH,N 122TyrH,N 8.11055 8.11055 121.78209 121.78209 0 3.28849e+08 5.65284e+08 0.58174 122 92 44 124GlnH,N 124GlnH,N 8.08085 8.08085 120.40786 120.40786 0 2.21592e+08 4.10061e+08 0.54039 124 93 18 126GlnH,N 126GlnH,N 8.54949 8.54949 120.62199 120.62199 0 1.11150e+08 2.08560e+08 0.53294 126 94 175 127SerH,N 127SerH,N 8.38095 8.38095 116.87022 116.87022 0 1.02884e+08 1.98023e+08 0.51956 127 95 109 129SerH,N 129SerH,N 8.13534 8.13534 115.43360 115.43360 0 3.56788e+08 6.54286e+08 0.54531 129 96 75 131SerH,N 131SerH,N 8.13578 8.13578 116.83689 116.83689 0 1.06667e+08 2.18219e+08 0.48881 131 97 74 132GlnH,N 132GlnH,N 8.25822 8.25822 121.93181 121.93181 0 1.65262e+08 3.15731e+08 0.52343 132 98 76 133GlnH,N 133GlnH,N 8.33148 8.33148 122.45408 122.45408 0 3.92183e+08 7.09012e+08 0.55314 133 99 102 138GlyH,N 138GlyH,N 7.95975 7.95975 108.25731 108.25731 0 3.51252e+08 6.71500e+08 0.52309 138 100 2 139GlnH,N 139GlnH,N 8.28962 8.28962 119.71645 119.71645 0 2.77992e+08 5.06368e+08 0.54899 139 101 115 140GlnH,N 140GlnH,N 8.47637 8.47637 121.39978 121.39978 0 2.26050e+08 4.43051e+08 0.51021 140 102 169 141GlnH,N 141GlnH,N 8.38511 8.38511 121.33403 121.33403 0 4.24191e+08 7.86623e+08 0.53926 141 103 107 142SerH,N 142SerH,N 8.26349 8.26349 116.65955 116.65955 0 2.28335e+08 4.43344e+08 0.51503 142 104 155 143TyrH,N 143TyrH,N 8.23906 8.23906 122.01205 122.01205 0 2.47116e+08 4.17189e+08 0.59234 143 105 15 144GlyH,N 144GlyH,N 8.31957 8.31957 110.19913 110.19913 0 5.35863e+08 9.21912e+08 0.58125 144 106 165 145GlnH,N 145GlnH,N 8.20735 8.20735 119.84719 119.84719 0 2.41782e+08 4.27647e+08 0.56538 145 107 142 147GlnH,N 147GlnH,N 8.40253 8.42689 121.36503 121.34826 0.02957 3.07333e+08 3.81112e+08 0.80641 147 108 90 148SerH,N 148SerH,N 8.27906 8.27906 116.63384 116.63384 0 2.13058e+08 4.06908e+08 0.52360 148 109 149 149TyrH,N 149TyrH,N 8.22923 8.22923 122.15535 122.15535 0 1.11918e+08 2.32661e+08 0.48103 149 110 137 150AsnH,N 150AsnH,N 8.22740 8.22740 122.71610 122.71610 0 1.49120e+07 5.36768e+07 0.27781 150 111 118 153GlnH,N 153GlnH,N 8.42817 8.43066 119.90515 119.95175 0.04667 4.30534e+07 5.47383e+07 0.78653 153 112 122 154GlyH,N 154GlyH,N 8.31814 8.31814 110.11325 110.11325 0 5.26761e+08 9.72559e+08 0.54162 154 113 57 155TyrH,N 155TyrH,N 8.11924 8.11924 120.00948 120.00948 0 1.43620e+08 2.65459e+08 0.54102 155 114 84 158GlnH,N 158GlnH,N 8.44388 8.44388 120.76684 120.76684 0 9.80518e+07 1.97678e+08 0.49602 158 115 82 159AsnH,N 159AsnH,N 8.43239 8.43239 119.42673 119.42673 0 1.49930e+08 2.71746e+08 0.55173 159 116 161 160GlnH,N 160GlnH,N 8.31499 8.31499 120.12879 120.12879 0 1.76606e+08 3.12829e+08 0.56455 160 117 148 161TyrH,N 161TyrH,N 8.20971 8.20971 120.56661 120.56661 0 2.08787e+08 3.64147e+08 0.57336 161 118 121 162AsnH,N 162AsnH,N 8.28293 8.28293 120.80167 120.80167 0 2.53178e+08 4.52046e+08 0.56007 162 119 108 165SerH,N 165SerH,N 8.41823 8.41823 117.72289 117.72289 0 4.64001e+08 9.35687e+08 0.49589 165 120 87 176AsnH,N 176AsnH,N 8.26136 8.26136 118.56805 118.56805 0 6.30112e+08 1.37924e+09 0.45686 176 121 128 177TyrH,N 177TyrH,N 8.22898 8.22898 120.58187 120.58187 0 6.68538e+08 1.26033e+09 0.53045 177 122 67 178GlyH,N 178GlyH,N 8.33166 8.33166 110.54208 110.54208 0 4.24994e+08 7.79693e+08 0.54508 178 123 99 179GlnH,N 179GlnH,N 8.22962 8.22962 119.82915 119.82915 0 7.16336e+08 1.46715e+09 0.48825 179 124 83 182SerH,N 182SerH,N 8.43088 8.43088 116.49031 116.49031 0 4.84211e+08 8.97256e+08 0.53966 182 125 73 183SerH,N 183SerH,N 8.27462 8.27462 117.33297 117.33297 0 6.55462e+08 1.22975e+09 0.53301 183 126 26 184MetH,N 184MetH,N 8.22708 8.22708 121.52566 121.52566 0 6.33007e+08 1.25312e+09 0.50514 184 127 101 185SerH,N 185SerH,N 8.24446 8.24446 116.19873 116.19873 0 6.52221e+08 1.34125e+09 0.48628 185 128 98 186SerH,N 186SerH,N 8.33290 8.33290 117.50534 117.50534 0 4.97466e+08 9.41469e+08 0.52839 186 129 185 187GlyH,N 187GlyH,N 8.39828 8.39828 110.54789 110.54789 0 9.26070e+08 1.97942e+09 0.46785 187 130 65 190SerH,N 190SerH,N 8.33745 8.33745 115.66022 115.66022 0 1.85573e+09 4.22997e+09 0.43871 190 131 181 191GlyH,N 191GlyH,N 8.50937 8.50937 110.88571 110.88571 0 9.66544e+08 2.35821e+09 0.40986 191 132 11 195GlyH,N 195GlyH,N 8.38255 8.38255 110.22107 110.22107 0 6.88882e+08 1.28093e+09 0.53780 195 133 25 196AsnH,N 196AsnH,N 8.27244 8.27244 118.65030 118.65030 0 6.88822e+08 1.27370e+09 0.54080 196 134 33 197GlnH,N 197GlnH,N 8.45880 8.45880 120.48958 120.48958 0 5.95435e+08 1.19273e+09 0.49922 197 135 139 200SerH,N 200SerH,N 8.41741 8.41741 116.51888 116.51888 0 8.90163e+08 1.81776e+09 0.48970 200 136 95 205SerH,N 205SerH,N 8.34584 8.34584 115.71704 115.71704 0 1.29608e+09 2.71853e+09 0.47676 205 137 39 210GlnH,N 210GlnH,N 8.19042 8.19042 119.68739 119.68739 0 8.23428e+08 1.52308e+09 0.54063 210 138 51 211GlnH,N 211GlnH,N 8.47438 8.47438 120.83339 120.83339 0 4.64340e+08 8.60297e+08 0.53974 211 139 96 213ArgH,N 213ArgH,N 8.34732 8.34732 121.77785 121.77785 0 4.71051e+08 8.56509e+08 0.54997 213 140 94 214GlyH,N 214GlyH,N 8.48229 8.48229 109.16346 109.16346 0 4.02410e+08 7.11925e+08 0.56524 214 141 60 216ArgH,N 216ArgH,N 8.24690 8.24690 120.31653 120.31653 0 2.44002e+08 4.33767e+08 0.56252 216 142 9 217GlyH,N 217GlyH,N 8.49209 8.49209 109.71938 109.71938 0 5.62038e+08 1.06750e+09 0.52650 217 143 6 218ArgH,N 218ArgH,N 8.25461 8.25461 120.43972 120.43972 0 6.95924e+08 1.23238e+09 0.56470 218 144 157 221SerH,N 221SerH,N 8.33960 8.33960 115.86340 115.86340 0 4.93462e+08 9.11509e+08 0.54137 221 145 154 222GlyH,N 222GlyH,N 8.52949 8.52949 110.82416 110.82416 0 9.35785e+08 2.21956e+09 0.42161 222 146 30 232TyrH,N 232TyrH,N 8.06365 8.06365 120.00746 120.00746 0 3.32121e+08 6.08830e+08 0.54551 232 147 114 233AsnH,N 233AsnH,N 8.39546 8.39546 120.83170 120.83170 0 3.76299e+08 6.98774e+08 0.53851 233 148 77 234ArgH,N 234ArgH,N 8.26022 8.26022 121.68316 121.68316 0 2.44443e+08 4.43290e+08 0.55143 234 149 64 235SerH,N 235SerH,N 8.38141 8.38141 116.55779 116.55779 0 2.71559e+08 5.10313e+08 0.53214 235 150 19 236SerH,N 236SerH,N 8.29730 8.29730 117.35938 117.35938 0 6.12962e+08 1.33898e+09 0.45778 236 151 72 237GlyH,N 237GlyH,N 8.37789 8.37789 110.49969 110.49969 0 4.75406e+08 9.29701e+08 0.51135 237 152 133 239TyrH,N 239TyrH,N 8.08015 8.08015 119.99460 119.99460 0 4.64823e+08 8.95935e+08 0.51881 239 153 48 240GluH,N 240GluH,N 8.22922 8.22922 124.90252 124.90252 0 8.48197e+07 1.39704e+08 0.60714 240 154 56 242ArgH,N 242ArgH,N 8.46559 8.46559 120.57496 120.57496 0 2.22735e+08 4.13778e+08 0.53830 242 155 116 243GlyH,N 243GlyH,N 8.36731 8.36731 109.51973 109.51973 0 1.46241e+08 2.94171e+08 0.49713 243 156 100 244ArgH,N 244ArgH,N 8.28364 8.28364 120.43648 120.43648 0 1.69851e+08 2.96670e+08 0.57253 244 157 138 248ArgH,N 248ArgH,N 8.28169 8.28169 120.30317 120.30317 0 5.37791e+08 1.02077e+09 0.52685 248 158 152 251ArgH,N 251ArgH,N 8.31406 8.31406 120.45671 120.45671 0 7.04996e+08 1.29172e+09 0.54578 251 159 34 254MetH,N 254MetH,N 8.32470 8.32470 119.58039 119.58039 0 6.65076e+08 1.18861e+09 0.55954 254 160 187 255GlyH,N 255GlyH,N 8.51403 8.51403 109.85066 109.85066 0 1.07801e+09 2.15686e+09 0.49980 255 161 14 258AspH,N 258AspH,N 8.46651 8.46651 122.23505 122.23505 0 7.37235e+08 1.39042e+09 0.53022 258 162 47 259ArgH,N 259ArgH,N 8.30392 8.30392 121.10061 121.10061 0 3.86803e+08 6.85694e+08 0.56411 259 163 136 260GlyH,N 260GlyH,N 8.41027 8.41027 109.17348 109.17348 0 4.38053e+08 7.89267e+08 0.55501 260 164 177 263AsnH,N 263AsnH,N 8.34314 8.34314 120.50252 120.50252 0 4.91110e+08 8.96894e+08 0.54757 263 165 24 264LysH,N 264LysH,N 8.12710 8.12710 121.44860 121.44860 0 1.65260e+08 2.55970e+08 0.64562 264 166 184 265PheH,N 265PheH,N 8.16972 8.16972 120.12174 120.12174 0 5.78655e+08 1.05618e+09 0.54787 265 167 27 266GlyH,N 266GlyH,N 8.24154 8.24154 110.14172 110.14172 0 3.85049e+08 6.87181e+08 0.56033 266 168 10 (34Gly/123Gly)H (123Gly/34Gly)N (34Gly/123Gly)H,N 8.21606 8.21606 110.36523 110.36523 0 2.68001e+08 5.23707e+08 0.51174 34,123 169 16 (38Tyr/31Gln)H (31Gln/38Tyr)N (38Tyr/31Gln)H,N 8.24629 8.24629 122.21007 122.21007 0 2.08192e+08 3.98941e+08 0.52186 31,38 170 46 (44Ser/61Ser)H,N (61Ser/44Ser)H,N 8.36243 8.36243 116.75017 116.75017 0 4.44156e+08 9.05116e+08 0.49072 44,61 171 45 (50Tyr/25Tyr)H (25Tyr/50Tyr)N (25Tyr/50Tyr)H,N 8.07666 8.07666 120.11601 120.11601 0 4.38527e+08 7.85069e+08 0.55858 25,50 172 8 (58Tyr/55Tyr)H,N (58Tyr/55Tyr)H,N 8.13938 8.13938 121.75197 121.75197 0 2.20216e+08 3.63076e+08 0.60653 55,58 173 38 (60Gln/35Gln)H,N (35Gln/60Gln)H,N 8.12091 8.12091 119.65387 119.65387 0 2.79866e+08 4.84481e+08 0.57766 35,60 174 127 (65Gly/51Gly)H,N (65Gly/51Gly)H,N 8.35840 8.35840 110.58035 110.58035 0 1.52465e+09 3.13417e+09 0.48646 51,65 175 31 (81Tyr/5Asp)H,N (81Tyr/5Asp)H,N 8.15189 8.15189 120.20887 120.20887 0 4.13042e+08 7.79931e+08 0.52959 5,81 176 85 (136Tyr/8Gln)H,N (136Tyr/8Gln)H,N 8.20606 8.20606 121.97873 121.97873 0 4.69622e+08 8.63527e+08 0.54384 8,136 177 21 (146Gln/181Gln)H,N (146Gln/181Gln)H,N 8.45092 8.45092 121.33777 121.33777 0 6.43667e+08 1.20997e+09 0.53197 146,181 178 111 (180Asp/199Gln)H (199Gln/180Asp)N (199Gln/180Asp)H (180Asp/199Gln)N 8.41025 8.41025 121.13826 121.13826 0 6.81886e+08 1.31001e+09 0.52052 180,199 179 29 (198Asp/212Asp)H (212Asp/198Asp)N (198Asp/212Asp)H,N 8.37605 8.37605 121.10795 121.10795 0 5.94605e+08 1.02931e+09 0.57767 198,212 180 103 (201Gly/156Gly)H (156Gly/201Gly)N (156Gly/201Gly)H,N 8.39912 8.39912 110.70233 110.70233 0 1.01323e+09 2.10432e+09 0.48150 156,201 181 37 (208Tyr/33Tyr)H,N (208Tyr/33Tyr)H (33Tyr/208Tyr)N 8.15141 8.15141 120.01702 120.01702 0 6.82008e+08 1.22494e+09 0.55677 33,208 182 163 (209Gly/166Gly)H,N (166Gly/209Gly)H,N 8.43621 8.43621 110.52119 110.52119 0 4.09293e+08 7.12042e+08 0.57482 166,209 183 35 (257Ser/135Ser)H,N (257Ser/135Ser)H,N 8.28508 8.28508 115.51024 115.51024 0 5.51322e+08 1.18910e+09 0.46365 135,257 184 125 (262Phe/194Tyr)H,N (262Phe/194Tyr)H,N 8.13696 8.13696 119.83372 119.83372 0 9.93199e+08 1.81174e+09 0.54820 194,262 185 150 -,- -,- 8.25936 8.26978 109.20293 109.16028 0.04390 -5.41749e+06 4.32163e+07 -0.12536 186 49 {*}H,N {*}H,N 8.35046 8.35046 110.72268 110.72268 0 6.68823e+08 1.26355e+09 0.52932 67,111,137 187 58 {*}H,N {*}H,N 8.15607 8.15607 119.74815 119.74815 0 6.64461e+08 1.18770e+09 0.55945 52,93,157 ; loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '15N-(1H) NOE' . . . 52653 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 52653 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52653 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'LC-RGG1 R1' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 850 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 'T1/R1 relaxation' . . . 52653 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 52653 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 832.73645 21.59023 . . . . . 52653 1 2 . 1 1 3 3 SER N N 15 876.41537 21.78508 . . . . . 52653 1 3 . 1 1 4 4 ASN N N 15 918.39841 33.76113 . . . . . 52653 1 4 . 1 1 5 5 ASP N N 15 977.89425 19.48246 . . . . . 52653 1 5 . 1 1 6 6 TYR N N 15 1085.25831 18.83947 . . . . . 52653 1 6 . 1 1 7 7 THR N N 15 1066.55570 14.37645 . . . . . 52653 1 7 . 1 1 8 8 GLN N N 15 1075.93478 24.76654 . . . . . 52653 1 8 . 1 1 9 9 GLN N N 15 1048.87465 34.08184 . . . . . 52653 1 9 . 1 1 10 10 ALA N N 15 991.45800 100.66227 . . . . . 52653 1 10 . 1 1 11 11 THR N N 15 1069.20525 19.59491 . . . . . 52653 1 11 . 1 1 12 12 GLN N N 15 958.53331 25.92023 . . . . . 52653 1 12 . 1 1 13 13 SER N N 15 1102.18049 47.44301 . . . . . 52653 1 13 . 1 1 14 14 TYR N N 15 1049.13591 28.76762 . . . . . 52653 1 14 . 1 1 15 15 GLY N N 15 1055.48212 47.96493 . . . . . 52653 1 15 . 1 1 16 16 ALA N N 15 1290.89390 236.04655 . . . . . 52653 1 16 . 1 1 17 17 TYR N N 15 1081.95522 22.12551 . . . . . 52653 1 17 . 1 1 19 19 THR N N 15 1247.43163 69.93486 . . . . . 52653 1 18 . 1 1 20 20 GLN N N 15 1075.47387 184.13130 . . . . . 52653 1 19 . 1 1 22 22 GLY N N 15 936.75213 24.72918 . . . . . 52653 1 20 . 1 1 23 23 GLN N N 15 1114.70761 35.28794 . . . . . 52653 1 21 . 1 1 24 24 GLY N N 15 1021.27096 40.89433 . . . . . 52653 1 22 . 1 1 25 25 TYR N N 15 1099.93041 21.94340 . . . . . 52653 1 23 . 1 1 26 26 SER N N 15 1138.34481 62.65303 . . . . . 52653 1 24 . 1 1 27 27 GLN N N 15 1035.14464 70.80234 . . . . . 52653 1 25 . 1 1 28 28 GLN N N 15 939.05658 30.28625 . . . . . 52653 1 26 . 1 1 29 29 SER N N 15 966.87604 33.10671 . . . . . 52653 1 27 . 1 1 30 30 SER N N 15 960.83871 43.80858 . . . . . 52653 1 28 . 1 1 31 31 GLN N N 15 1060.01136 39.65210 . . . . . 52653 1 29 . 1 1 33 33 TYR N N 15 945.71662 20.24327 . . . . . 52653 1 30 . 1 1 34 34 GLY N N 15 989.43230 33.31024 . . . . . 52653 1 31 . 1 1 35 35 GLN N N 15 1035.31407 22.44763 . . . . . 52653 1 32 . 1 1 36 36 GLN N N 15 945.90699 19.01557 . . . . . 52653 1 33 . 1 1 37 37 SER N N 15 1080.73513 46.45120 . . . . . 52653 1 34 . 1 1 38 38 TYR N N 15 1111.68294 51.21316 . . . . . 52653 1 35 . 1 1 39 39 SER N N 15 943.62439 39.25467 . . . . . 52653 1 36 . 1 1 40 40 GLY N N 15 1114.07489 24.34576 . . . . . 52653 1 37 . 1 1 41 41 TYR N N 15 1155.07118 27.91547 . . . . . 52653 1 38 . 1 1 42 42 SER N N 15 1086.08278 39.52749 . . . . . 52653 1 39 . 1 1 43 43 GLN N N 15 1016.42498 253.00368 . . . . . 52653 1 40 . 1 1 44 44 SER N N 15 1064.29923 53.32635 . . . . . 52653 1 41 . 1 1 45 45 THR N N 15 1002.72976 32.92429 . . . . . 52653 1 42 . 1 1 46 46 ASP N N 15 1015.78446 166.82584 . . . . . 52653 1 43 . 1 1 47 47 THR N N 15 1101.20357 31.82994 . . . . . 52653 1 44 . 1 1 48 48 SER N N 15 990.86581 83.08289 . . . . . 52653 1 45 . 1 1 49 49 GLY N N 15 946.39252 17.22930 . . . . . 52653 1 46 . 1 1 50 50 TYR N N 15 1097.68010 21.28600 . . . . . 52653 1 47 . 1 1 51 51 GLY N N 15 862.34964 25.10019 . . . . . 52653 1 48 . 1 1 52 52 GLN N N 15 1013.83926 21.08645 . . . . . 52653 1 49 . 1 1 53 53 SER N N 15 1029.28717 46.31674 . . . . . 52653 1 50 . 1 1 54 54 SER N N 15 972.72726 36.58039 . . . . . 52653 1 51 . 1 1 55 55 TYR N N 15 1084.25537 27.29777 . . . . . 52653 1 52 . 1 1 56 56 SER N N 15 1106.08984 21.97528 . . . . . 52653 1 53 . 1 1 57 57 SER N N 15 1130.41943 47.34099 . . . . . 52653 1 54 . 1 1 58 58 TYR N N 15 1088.32194 22.57072 . . . . . 52653 1 55 . 1 1 59 59 GLY N N 15 1005.92170 25.22547 . . . . . 52653 1 56 . 1 1 60 60 GLN N N 15 1106.58506 23.90585 . . . . . 52653 1 57 . 1 1 61 61 SER N N 15 1054.35319 47.09718 . . . . . 52653 1 58 . 1 1 62 62 GLN N N 15 1003.01439 37.64692 . . . . . 52653 1 59 . 1 1 63 63 ASN N N 15 1003.87958 45.37880 . . . . . 52653 1 60 . 1 1 64 64 THR N N 15 1042.31897 32.09511 . . . . . 52653 1 61 . 1 1 65 65 GLY N N 15 846.86241 24.53033 . . . . . 52653 1 62 . 1 1 67 67 GLY N N 15 886.43940 41.29537 . . . . . 52653 1 63 . 1 1 68 68 THR N N 15 1043.97059 26.92164 . . . . . 52653 1 64 . 1 1 69 69 GLN N N 15 924.47982 18.34726 . . . . . 52653 1 65 . 1 1 70 70 SER N N 15 964.19461 84.47075 . . . . . 52653 1 66 . 1 1 71 71 THR N N 15 1019.10469 35.96711 . . . . . 52653 1 67 . 1 1 73 73 GLN N N 15 1011.05871 34.54098 . . . . . 52653 1 68 . 1 1 74 74 GLY N N 15 937.51800 75.67779 . . . . . 52653 1 69 . 1 1 75 75 TYR N N 15 1086.53221 22.96998 . . . . . 52653 1 70 . 1 1 76 76 GLY N N 15 894.01135 42.28872 . . . . . 52653 1 71 . 1 1 77 77 SER N N 15 993.17383 33.85259 . . . . . 52653 1 72 . 1 1 78 78 THR N N 15 950.23965 28.93661 . . . . . 52653 1 73 . 1 1 79 79 GLY N N 15 914.44397 29.14386 . . . . . 52653 1 74 . 1 1 80 80 GLY N N 15 848.41776 18.62822 . . . . . 52653 1 75 . 1 1 81 81 TYR N N 15 985.57307 19.69609 . . . . . 52653 1 76 . 1 1 82 82 GLY N N 15 921.12925 54.97628 . . . . . 52653 1 77 . 1 1 83 83 SER N N 15 981.38267 31.57654 . . . . . 52653 1 78 . 1 1 84 84 SER N N 15 1049.30771 58.48687 . . . . . 52653 1 79 . 1 1 85 85 GLN N N 15 954.91177 24.61829 . . . . . 52653 1 80 . 1 1 86 86 SER N N 15 966.74807 27.26984 . . . . . 52653 1 81 . 1 1 87 87 SER N N 15 923.57857 41.19825 . . . . . 52653 1 82 . 1 1 88 88 GLN N N 15 978.59153 44.93990 . . . . . 52653 1 83 . 1 1 89 89 SER N N 15 982.23946 38.75728 . . . . . 52653 1 84 . 1 1 90 90 SER N N 15 1046.43924 58.74338 . . . . . 52653 1 85 . 1 1 91 91 TYR N N 15 1062.99047 42.64200 . . . . . 52653 1 86 . 1 1 92 92 GLY N N 15 1028.22063 34.28405 . . . . . 52653 1 87 . 1 1 93 93 GLN N N 15 1085.69073 24.01673 . . . . . 52653 1 88 . 1 1 95 95 SER N N 15 984.81500 31.21338 . . . . . 52653 1 89 . 1 1 96 96 SER N N 15 1051.59143 70.27316 . . . . . 52653 1 90 . 1 1 97 97 TYR N N 15 1068.21322 58.23080 . . . . . 52653 1 91 . 1 1 99 99 GLY N N 15 1502.59674 647.98288 . . . . . 52653 1 92 . 1 1 100 100 TYR N N 15 1219.82831 12.64803 . . . . . 52653 1 93 . 1 1 102 102 GLN N N 15 1131.55934 36.45986 . . . . . 52653 1 94 . 1 1 103 103 GLN N N 15 923.58463 56.98498 . . . . . 52653 1 95 . 1 1 105 105 ALA N N 15 56.32632 199.36117 . . . . . 52653 1 96 . 1 1 107 107 SER N N 15 960.44401 93.41752 . . . . . 52653 1 97 . 1 1 108 108 SER N N 15 1065.39023 31.47459 . . . . . 52653 1 98 . 1 1 109 109 THR N N 15 962.46402 24.85251 . . . . . 52653 1 99 . 1 1 110 110 SER N N 15 1006.13084 38.15310 . . . . . 52653 1 100 . 1 1 111 111 GLY N N 15 867.60785 39.93677 . . . . . 52653 1 101 . 1 1 112 112 SER N N 15 929.37402 30.00213 . . . . . 52653 1 102 . 1 1 113 113 TYR N N 15 957.11337 29.72320 . . . . . 52653 1 103 . 1 1 114 114 GLY N N 15 901.46319 23.40627 . . . . . 52653 1 104 . 1 1 115 115 SER N N 15 972.78234 28.63732 . . . . . 52653 1 105 . 1 1 116 116 SER N N 15 974.47874 27.35210 . . . . . 52653 1 106 . 1 1 117 117 SER N N 15 966.16970 34.01640 . . . . . 52653 1 107 . 1 1 118 118 GLN N N 15 981.15949 20.33413 . . . . . 52653 1 108 . 1 1 119 119 SER N N 15 965.43726 40.88906 . . . . . 52653 1 109 . 1 1 120 120 SER N N 15 914.78150 36.00613 . . . . . 52653 1 110 . 1 1 121 121 SER N N 15 1060.74013 32.65963 . . . . . 52653 1 111 . 1 1 122 122 TYR N N 15 1019.49549 21.20038 . . . . . 52653 1 112 . 1 1 123 123 GLY N N 15 980.00910 32.31715 . . . . . 52653 1 113 . 1 1 124 124 GLN N N 15 1068.92950 19.05404 . . . . . 52653 1 114 . 1 1 126 126 GLN N N 15 1027.90657 38.46578 . . . . . 52653 1 115 . 1 1 127 127 SER N N 15 994.61302 66.99831 . . . . . 52653 1 116 . 1 1 129 129 SER N N 15 965.80111 33.50683 . . . . . 52653 1 117 . 1 1 131 131 SER N N 15 1073.63077 37.97804 . . . . . 52653 1 118 . 1 1 132 132 GLN N N 15 1016.74813 71.45059 . . . . . 52653 1 119 . 1 1 133 133 GLN N N 15 1014.44402 49.68784 . . . . . 52653 1 120 . 1 1 135 135 SER N N 15 965.32367 23.29641 . . . . . 52653 1 121 . 1 1 136 136 TYR N N 15 1058.55004 31.22226 . . . . . 52653 1 122 . 1 1 137 137 GLY N N 15 896.35123 37.02054 . . . . . 52653 1 123 . 1 1 138 138 GLY N N 15 937.91272 19.43943 . . . . . 52653 1 124 . 1 1 139 139 GLN N N 15 994.60289 42.30441 . . . . . 52653 1 125 . 1 1 140 140 GLN N N 15 997.28080 22.15782 . . . . . 52653 1 126 . 1 1 141 141 GLN N N 15 978.17476 30.64264 . . . . . 52653 1 127 . 1 1 142 142 SER N N 15 1073.09341 54.08103 . . . . . 52653 1 128 . 1 1 143 143 TYR N N 15 1072.02217 27.09518 . . . . . 52653 1 129 . 1 1 144 144 GLY N N 15 912.44901 13.40914 . . . . . 52653 1 130 . 1 1 145 145 GLN N N 15 1019.84893 16.97843 . . . . . 52653 1 131 . 1 1 146 146 GLN N N 15 952.75239 20.17062 . . . . . 52653 1 132 . 1 1 147 147 GLN N N 15 1003.79794 32.09458 . . . . . 52653 1 133 . 1 1 148 148 SER N N 15 1032.97147 46.80714 . . . . . 52653 1 134 . 1 1 149 149 TYR N N 15 1051.52172 48.55420 . . . . . 52653 1 135 . 1 1 150 150 ASN N N 15 1043.34013 455.07449 . . . . . 52653 1 136 . 1 1 153 153 GLN N N 15 1123.07294 86.73389 . . . . . 52653 1 137 . 1 1 154 154 GLY N N 15 924.34254 45.74328 . . . . . 52653 1 138 . 1 1 155 155 TYR N N 15 1055.37072 23.87992 . . . . . 52653 1 139 . 1 1 156 156 GLY N N 15 854.41261 20.04323 . . . . . 52653 1 140 . 1 1 157 157 GLN N N 15 1083.12118 24.35257 . . . . . 52653 1 141 . 1 1 158 158 GLN N N 15 1082.73332 44.21768 . . . . . 52653 1 142 . 1 1 159 159 ASN N N 15 1104.12180 79.12769 . . . . . 52653 1 143 . 1 1 160 160 GLN N N 15 1013.98443 54.37573 . . . . . 52653 1 144 . 1 1 161 161 TYR N N 15 1048.54528 24.46713 . . . . . 52653 1 145 . 1 1 162 162 ASN N N 15 991.87689 38.79512 . . . . . 52653 1 146 . 1 1 165 165 SER N N 15 943.12440 28.24513 . . . . . 52653 1 147 . 1 1 166 166 GLY N N 15 900.61833 21.31025 . . . . . 52653 1 148 . 1 1 176 176 ASN N N 15 859.72104 25.18959 . . . . . 52653 1 149 . 1 1 177 177 TYR N N 15 938.80708 17.14202 . . . . . 52653 1 150 . 1 1 178 178 GLY N N 15 931.73312 34.69350 . . . . . 52653 1 151 . 1 1 179 179 GLN N N 15 935.63813 12.45567 . . . . . 52653 1 152 . 1 1 180 180 ASP N N 15 889.78574 14.71163 . . . . . 52653 1 153 . 1 1 181 181 GLN N N 15 1003.92041 26.83980 . . . . . 52653 1 154 . 1 1 182 182 SER N N 15 890.23409 21.83858 . . . . . 52653 1 155 . 1 1 183 183 SER N N 15 931.54983 29.46079 . . . . . 52653 1 156 . 1 1 184 184 MET N N 15 845.95326 20.33428 . . . . . 52653 1 157 . 1 1 185 185 SER N N 15 851.39738 23.90849 . . . . . 52653 1 158 . 1 1 186 186 SER N N 15 993.12927 48.26769 . . . . . 52653 1 159 . 1 1 187 187 GLY N N 15 822.10086 23.37054 . . . . . 52653 1 160 . 1 1 190 190 SER N N 15 856.22537 29.71013 . . . . . 52653 1 161 . 1 1 191 191 GLY N N 15 792.36536 23.07651 . . . . . 52653 1 162 . 1 1 194 194 TYR N N 15 958.24760 19.03994 . . . . . 52653 1 163 . 1 1 195 195 GLY N N 15 854.62623 28.03348 . . . . . 52653 1 164 . 1 1 196 196 ASN N N 15 887.97336 22.76497 . . . . . 52653 1 165 . 1 1 197 197 GLN N N 15 916.56834 20.80699 . . . . . 52653 1 166 . 1 1 198 198 ASP N N 15 901.33398 17.24443 . . . . . 52653 1 167 . 1 1 199 199 GLN N N 15 892.44405 16.23694 . . . . . 52653 1 168 . 1 1 200 200 SER N N 15 861.21919 20.25857 . . . . . 52653 1 169 . 1 1 201 201 GLY N N 15 842.27720 19.60680 . . . . . 52653 1 170 . 1 1 205 205 SER N N 15 858.72433 28.33937 . . . . . 52653 1 171 . 1 1 208 208 TYR N N 15 949.11622 17.10591 . . . . . 52653 1 172 . 1 1 209 209 GLY N N 15 817.81337 21.33605 . . . . . 52653 1 173 . 1 1 210 210 GLN N N 15 998.19877 19.44941 . . . . . 52653 1 174 . 1 1 211 211 GLN N N 15 993.36712 23.29153 . . . . . 52653 1 175 . 1 1 212 212 ASP N N 15 899.21932 17.93745 . . . . . 52653 1 176 . 1 1 213 213 ARG N N 15 1000.47271 54.94784 . . . . . 52653 1 177 . 1 1 214 214 GLY N N 15 914.12488 23.62795 . . . . . 52653 1 178 . 1 1 216 216 ARG N N 15 992.12515 48.19693 . . . . . 52653 1 179 . 1 1 217 217 GLY N N 15 877.54323 26.51365 . . . . . 52653 1 180 . 1 1 218 218 ARG N N 15 914.77566 19.90321 . . . . . 52653 1 181 . 1 1 221 221 SER N N 15 930.06463 26.48374 . . . . . 52653 1 182 . 1 1 222 222 GLY N N 15 797.47585 21.50667 . . . . . 52653 1 183 . 1 1 232 232 TYR N N 15 1108.71377 22.50311 . . . . . 52653 1 184 . 1 1 233 233 ASN N N 15 1040.16233 30.68054 . . . . . 52653 1 185 . 1 1 234 234 ARG N N 15 1118.74305 45.91957 . . . . . 52653 1 186 . 1 1 235 235 SER N N 15 1003.14089 52.10305 . . . . . 52653 1 187 . 1 1 236 236 SER N N 15 901.48666 24.08897 . . . . . 52653 1 188 . 1 1 237 237 GLY N N 15 924.25113 31.34521 . . . . . 52653 1 189 . 1 1 239 239 TYR N N 15 1005.46544 21.59917 . . . . . 52653 1 190 . 1 1 240 240 GLU N N 15 1013.86582 70.11981 . . . . . 52653 1 191 . 1 1 242 242 ARG N N 15 1024.57081 18.74468 . . . . . 52653 1 192 . 1 1 243 243 GLY N N 15 1040.58936 66.33351 . . . . . 52653 1 193 . 1 1 244 244 ARG N N 15 926.26953 26.45441 . . . . . 52653 1 194 . 1 1 248 248 ARG N N 15 949.56055 28.81371 . . . . . 52653 1 195 . 1 1 251 251 ARG N N 15 960.97587 28.75891 . . . . . 52653 1 196 . 1 1 254 254 MET N N 15 897.94252 25.12006 . . . . . 52653 1 197 . 1 1 255 255 GLY N N 15 870.79959 23.93040 . . . . . 52653 1 198 . 1 1 257 257 SER N N 15 949.71740 37.50939 . . . . . 52653 1 199 . 1 1 258 258 ASP N N 15 934.03231 21.68784 . . . . . 52653 1 200 . 1 1 259 259 ARG N N 15 868.43271 10.74725 . . . . . 52653 1 201 . 1 1 260 260 GLY N N 15 940.94486 21.85746 . . . . . 52653 1 202 . 1 1 262 262 PHE N N 15 938.40884 17.00298 . . . . . 52653 1 203 . 1 1 263 263 ASN N N 15 936.01056 42.85675 . . . . . 52653 1 204 . 1 1 264 264 LYS N N 15 1093.50418 37.48539 . . . . . 52653 1 205 . 1 1 265 265 PHE N N 15 961.32389 17.23855 . . . . . 52653 1 206 . 1 1 266 266 GLY N N 15 1002.23218 32.82906 . . . . . 52653 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 52653 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'LC-RGG1 R2' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 850 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 52653 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 52653 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 113.46848 2.30055 . . . . . . . 52653 1 2 . 1 1 3 3 SER N N 15 92.10121 1.85110 . . . . . . . 52653 1 3 . 1 1 4 4 ASN N N 15 66.62875 0.40448 . . . . . . . 52653 1 4 . 1 1 5 5 ASP N N 15 48.06794 0.65756 . . . . . . . 52653 1 5 . 1 1 6 6 TYR N N 15 39.16294 0.77603 . . . . . . . 52653 1 6 . 1 1 7 7 THR N N 15 35.90774 0.20089 . . . . . . . 52653 1 7 . 1 1 8 8 GLN N N 15 36.21513 0.25051 . . . . . . . 52653 1 8 . 1 1 9 9 GLN N N 15 36.25978 1.50453 . . . . . . . 52653 1 9 . 1 1 10 10 ALA N N 15 24.65476 2.78935 . . . . . . . 52653 1 10 . 1 1 11 11 THR N N 15 40.04497 0.72094 . . . . . . . 52653 1 11 . 1 1 12 12 GLN N N 15 48.93518 1.50423 . . . . . . . 52653 1 12 . 1 1 13 13 SER N N 15 33.27334 0.56577 . . . . . . . 52653 1 13 . 1 1 14 14 TYR N N 15 35.77214 0.38210 . . . . . . . 52653 1 14 . 1 1 15 15 GLY N N 15 44.69875 1.16339 . . . . . . . 52653 1 15 . 1 1 16 16 ALA N N 15 36.85194 3.17245 . . . . . . . 52653 1 16 . 1 1 17 17 TYR N N 15 39.77900 0.37047 . . . . . . . 52653 1 17 . 1 1 19 19 THR N N 15 27.55159 1.18841 . . . . . . . 52653 1 18 . 1 1 20 20 GLN N N 15 20.36615 2.43721 . . . . . . . 52653 1 19 . 1 1 22 22 GLY N N 15 45.67647 6.27476 . . . . . . . 52653 1 20 . 1 1 23 23 GLN N N 15 39.34992 2.35091 . . . . . . . 52653 1 21 . 1 1 24 24 GLY N N 15 43.00147 3.75523 . . . . . . . 52653 1 22 . 1 1 25 25 TYR N N 15 38.90471 0.07747 . . . . . . . 52653 1 23 . 1 1 26 26 SER N N 15 37.09731 2.27113 . . . . . . . 52653 1 24 . 1 1 27 27 GLN N N 15 36.97882 0.98451 . . . . . . . 52653 1 25 . 1 1 28 28 GLN N N 15 57.31748 1.02604 . . . . . . . 52653 1 26 . 1 1 29 29 SER N N 15 52.14978 0.57125 . . . . . . . 52653 1 27 . 1 1 30 30 SER N N 15 53.17215 2.39746 . . . . . . . 52653 1 28 . 1 1 31 31 GLN N N 15 42.34431 1.77446 . . . . . . . 52653 1 29 . 1 1 33 33 TYR N N 15 53.34005 0.30745 . . . . . . . 52653 1 30 . 1 1 34 34 GLY N N 15 44.96236 0.25685 . . . . . . . 52653 1 31 . 1 1 35 35 GLN N N 15 59.70959 2.36614 . . . . . . . 52653 1 32 . 1 1 36 36 GLN N N 15 53.08486 1.52147 . . . . . . . 52653 1 33 . 1 1 37 37 SER N N 15 36.44798 0.67721 . . . . . . . 52653 1 34 . 1 1 38 38 TYR N N 15 35.60368 0.90135 . . . . . . . 52653 1 35 . 1 1 39 39 SER N N 15 56.52490 0.71434 . . . . . . . 52653 1 36 . 1 1 40 40 GLY N N 15 33.48036 0.37585 . . . . . . . 52653 1 37 . 1 1 41 41 TYR N N 15 33.87304 0.24686 . . . . . . . 52653 1 38 . 1 1 42 42 SER N N 15 48.38186 1.91075 . . . . . . . 52653 1 39 . 1 1 43 43 GLN N N 15 28.98945 1.14190 . . . . . . . 52653 1 40 . 1 1 44 44 SER N N 15 39.04285 1.30869 . . . . . . . 52653 1 41 . 1 1 45 45 THR N N 15 42.30444 0.36612 . . . . . . . 52653 1 42 . 1 1 46 46 ASP N N 15 33.91036 3.43840 . . . . . . . 52653 1 43 . 1 1 47 47 THR N N 15 38.21788 0.49157 . . . . . . . 52653 1 44 . 1 1 48 48 SER N N 15 32.30577 0.93557 . . . . . . . 52653 1 45 . 1 1 49 49 GLY N N 15 50.26277 2.16958 . . . . . . . 52653 1 46 . 1 1 50 50 TYR N N 15 39.44748 0.49025 . . . . . . . 52653 1 47 . 1 1 51 51 GLY N N 15 78.56511 3.20825 . . . . . . . 52653 1 48 . 1 1 52 52 GLN N N 15 48.32614 1.19141 . . . . . . . 52653 1 49 . 1 1 53 53 SER N N 15 37.45459 1.39595 . . . . . . . 52653 1 50 . 1 1 54 54 SER N N 15 52.70075 0.60663 . . . . . . . 52653 1 51 . 1 1 55 55 TYR N N 15 34.04942 0.92117 . . . . . . . 52653 1 52 . 1 1 56 56 SER N N 15 36.80514 2.75480 . . . . . . . 52653 1 53 . 1 1 57 57 SER N N 15 35.70189 1.47239 . . . . . . . 52653 1 54 . 1 1 58 58 TYR N N 15 34.61287 0.56740 . . . . . . . 52653 1 55 . 1 1 59 59 GLY N N 15 45.73401 1.38619 . . . . . . . 52653 1 56 . 1 1 60 60 GLN N N 15 36.53247 1.00596 . . . . . . . 52653 1 57 . 1 1 61 61 SER N N 15 37.96378 1.30967 . . . . . . . 52653 1 58 . 1 1 62 62 GLN N N 15 51.86468 1.69432 . . . . . . . 52653 1 59 . 1 1 63 63 ASN N N 15 42.12261 0.46011 . . . . . . . 52653 1 60 . 1 1 64 64 THR N N 15 44.59547 0.55793 . . . . . . . 52653 1 61 . 1 1 65 65 GLY N N 15 83.52057 3.25456 . . . . . . . 52653 1 62 . 1 1 67 67 GLY N N 15 71.98057 5.07514 . . . . . . . 52653 1 63 . 1 1 68 68 THR N N 15 41.40237 0.82692 . . . . . . . 52653 1 64 . 1 1 69 69 GLN N N 15 59.76908 0.33060 . . . . . . . 52653 1 65 . 1 1 70 70 SER N N 15 37.97281 2.33636 . . . . . . . 52653 1 66 . 1 1 71 71 THR N N 15 32.98381 1.03978 . . . . . . . 52653 1 67 . 1 1 73 73 GLN N N 15 51.86748 0.79105 . . . . . . . 52653 1 68 . 1 1 74 74 GLY N N 15 76.43745 13.95161 . . . . . . . 52653 1 69 . 1 1 75 75 TYR N N 15 39.62952 0.48253 . . . . . . . 52653 1 70 . 1 1 76 76 GLY N N 15 56.47557 4.69134 . . . . . . . 52653 1 71 . 1 1 77 77 SER N N 15 50.88613 0.31081 . . . . . . . 52653 1 72 . 1 1 78 78 THR N N 15 52.15671 0.66824 . . . . . . . 52653 1 73 . 1 1 79 79 GLY N N 15 55.38550 2.24113 . . . . . . . 52653 1 74 . 1 1 80 80 GLY N N 15 72.63588 4.57867 . . . . . . . 52653 1 75 . 1 1 81 81 TYR N N 15 47.91374 0.26827 . . . . . . . 52653 1 76 . 1 1 82 82 GLY N N 15 58.71957 4.25938 . . . . . . . 52653 1 77 . 1 1 83 83 SER N N 15 52.01296 0.26154 . . . . . . . 52653 1 78 . 1 1 84 84 SER N N 15 49.94476 1.52356 . . . . . . . 52653 1 79 . 1 1 85 85 GLN N N 15 56.07826 1.00192 . . . . . . . 52653 1 80 . 1 1 86 86 SER N N 15 51.47778 0.52935 . . . . . . . 52653 1 81 . 1 1 87 87 SER N N 15 62.50739 0.65812 . . . . . . . 52653 1 82 . 1 1 88 88 GLN N N 15 53.45026 0.85861 . . . . . . . 52653 1 83 . 1 1 89 89 SER N N 15 50.95059 0.22113 . . . . . . . 52653 1 84 . 1 1 90 90 SER N N 15 44.57042 1.67698 . . . . . . . 52653 1 85 . 1 1 91 91 TYR N N 15 35.51309 0.99696 . . . . . . . 52653 1 86 . 1 1 92 92 GLY N N 15 45.89416 1.36246 . . . . . . . 52653 1 87 . 1 1 93 93 GLN N N 15 39.20693 0.62116 . . . . . . . 52653 1 88 . 1 1 95 95 SER N N 15 44.84526 0.96775 . . . . . . . 52653 1 89 . 1 1 96 96 SER N N 15 33.87181 1.42820 . . . . . . . 52653 1 90 . 1 1 97 97 TYR N N 15 24.91421 1.11282 . . . . . . . 52653 1 91 . 1 1 99 99 GLY N N 15 45.69894 3.53674 . . . . . . . 52653 1 92 . 1 1 100 100 TYR N N 15 32.82886 0.89130 . . . . . . . 52653 1 93 . 1 1 102 102 GLN N N 15 34.75159 1.24579 . . . . . . . 52653 1 94 . 1 1 103 103 GLN N N 15 67.44631 82.10561 . . . . . . . 52653 1 95 . 1 1 105 105 ALA N N 15 7.40973 -3.77883 . . . . . . . 52653 1 96 . 1 1 107 107 SER N N 15 81.50026 2.42980 . . . . . . . 52653 1 97 . 1 1 108 108 SER N N 15 47.37800 1.09412 . . . . . . . 52653 1 98 . 1 1 109 109 THR N N 15 55.88326 0.34768 . . . . . . . 52653 1 99 . 1 1 110 110 SER N N 15 51.15175 0.92994 . . . . . . . 52653 1 100 . 1 1 111 111 GLY N N 15 69.27500 5.63612 . . . . . . . 52653 1 101 . 1 1 112 112 SER N N 15 60.56702 0.15240 . . . . . . . 52653 1 102 . 1 1 113 113 TYR N N 15 53.08951 1.36435 . . . . . . . 52653 1 103 . 1 1 114 114 GLY N N 15 63.07267 1.98463 . . . . . . . 52653 1 104 . 1 1 115 115 SER N N 15 54.89255 0.25390 . . . . . . . 52653 1 105 . 1 1 116 116 SER N N 15 55.99776 0.52257 . . . . . . . 52653 1 106 . 1 1 117 117 SER N N 15 52.03158 0.56081 . . . . . . . 52653 1 107 . 1 1 118 118 GLN N N 15 60.51025 2.14594 . . . . . . . 52653 1 108 . 1 1 119 119 SER N N 15 51.87179 0.30435 . . . . . . . 52653 1 109 . 1 1 120 120 SER N N 15 70.67900 1.21818 . . . . . . . 52653 1 110 . 1 1 121 121 SER N N 15 47.22250 1.35777 . . . . . . . 52653 1 111 . 1 1 122 122 TYR N N 15 43.39126 0.73001 . . . . . . . 52653 1 112 . 1 1 123 123 GLY N N 15 45.35111 0.15628 . . . . . . . 52653 1 113 . 1 1 124 124 GLN N N 15 35.36622 0.87479 . . . . . . . 52653 1 114 . 1 1 126 126 GLN N N 15 38.58237 1.95955 . . . . . . . 52653 1 115 . 1 1 127 127 SER N N 15 38.11351 2.10415 . . . . . . . 52653 1 116 . 1 1 129 129 SER N N 15 52.77751 0.44982 . . . . . . . 52653 1 117 . 1 1 131 131 SER N N 15 32.35985 0.94799 . . . . . . . 52653 1 118 . 1 1 132 132 GLN N N 15 31.59827 1.80377 . . . . . . . 52653 1 119 . 1 1 133 133 GLN N N 15 50.91266 0.78250 . . . . . . . 52653 1 120 . 1 1 135 135 SER N N 15 63.22851 0.46637 . . . . . . . 52653 1 121 . 1 1 136 136 TYR N N 15 36.22848 0.33258 . . . . . . . 52653 1 122 . 1 1 137 137 GLY N N 15 75.22182 4.21922 . . . . . . . 52653 1 123 . 1 1 138 138 GLY N N 15 46.35881 2.30210 . . . . . . . 52653 1 124 . 1 1 139 139 GLN N N 15 41.99182 0.51589 . . . . . . . 52653 1 125 . 1 1 140 140 GLN N N 15 42.46054 1.79341 . . . . . . . 52653 1 126 . 1 1 141 141 GLN N N 15 49.36797 1.18319 . . . . . . . 52653 1 127 . 1 1 142 142 SER N N 15 34.47428 0.55482 . . . . . . . 52653 1 128 . 1 1 143 143 TYR N N 15 32.56080 1.13467 . . . . . . . 52653 1 129 . 1 1 144 144 GLY N N 15 56.61785 2.11538 . . . . . . . 52653 1 130 . 1 1 145 145 GLN N N 15 39.32866 1.47976 . . . . . . . 52653 1 131 . 1 1 146 146 GLN N N 15 54.34351 1.51068 . . . . . . . 52653 1 132 . 1 1 147 147 GLN N N 15 41.42204 2.02639 . . . . . . . 52653 1 133 . 1 1 148 148 SER N N 15 40.64385 0.86797 . . . . . . . 52653 1 134 . 1 1 149 149 TYR N N 15 37.68591 0.71586 . . . . . . . 52653 1 135 . 1 1 153 153 GLN N N 15 48.80333 4.40779 . . . . . . . 52653 1 136 . 1 1 154 154 GLY N N 15 59.04106 6.62555 . . . . . . . 52653 1 137 . 1 1 155 155 TYR N N 15 40.18443 0.76880 . . . . . . . 52653 1 138 . 1 1 156 156 GLY N N 15 70.10916 5.33693 . . . . . . . 52653 1 139 . 1 1 157 157 GLN N N 15 38.81867 0.53475 . . . . . . . 52653 1 140 . 1 1 158 158 GLN N N 15 37.17786 2.11037 . . . . . . . 52653 1 141 . 1 1 159 159 ASN N N 15 39.55337 0.77264 . . . . . . . 52653 1 142 . 1 1 160 160 GLN N N 15 45.34449 1.70565 . . . . . . . 52653 1 143 . 1 1 161 161 TYR N N 15 44.94243 1.56378 . . . . . . . 52653 1 144 . 1 1 162 162 ASN N N 15 37.66569 1.26719 . . . . . . . 52653 1 145 . 1 1 165 165 SER N N 15 59.54975 0.59490 . . . . . . . 52653 1 146 . 1 1 166 166 GLY N N 15 56.18292 0.91040 . . . . . . . 52653 1 147 . 1 1 176 176 ASN N N 15 70.60480 0.40052 . . . . . . . 52653 1 148 . 1 1 177 177 TYR N N 15 58.12188 1.31271 . . . . . . . 52653 1 149 . 1 1 178 178 GLY N N 15 55.07190 2.99238 . . . . . . . 52653 1 150 . 1 1 179 179 GLN N N 15 63.87372 0.34160 . . . . . . . 52653 1 151 . 1 1 180 180 ASP N N 15 70.87380 1.69772 . . . . . . . 52653 1 152 . 1 1 181 181 GLN N N 15 51.14745 1.90604 . . . . . . . 52653 1 153 . 1 1 182 182 SER N N 15 54.81568 0.62015 . . . . . . . 52653 1 154 . 1 1 183 183 SER N N 15 59.29131 0.42527 . . . . . . . 52653 1 155 . 1 1 184 184 MET N N 15 74.20231 1.20693 . . . . . . . 52653 1 156 . 1 1 185 185 SER N N 15 80.06297 0.29460 . . . . . . . 52653 1 157 . 1 1 186 186 SER N N 15 61.79566 0.96430 . . . . . . . 52653 1 158 . 1 1 187 187 GLY N N 15 81.01771 4.95877 . . . . . . . 52653 1 159 . 1 1 190 190 SER N N 15 107.77727 1.17236 . . . . . . . 52653 1 160 . 1 1 191 191 GLY N N 15 134.26835 4.77257 . . . . . . . 52653 1 161 . 1 1 194 194 TYR N N 15 58.57200 1.15126 . . . . . . . 52653 1 162 . 1 1 195 195 GLY N N 15 65.20695 2.03293 . . . . . . . 52653 1 163 . 1 1 196 196 ASN N N 15 64.18282 0.22035 . . . . . . . 52653 1 164 . 1 1 197 197 GLN N N 15 63.13714 1.75474 . . . . . . . 52653 1 165 . 1 1 198 198 ASP N N 15 64.78967 0.54912 . . . . . . . 52653 1 166 . 1 1 199 199 GLN N N 15 72.55350 1.43802 . . . . . . . 52653 1 167 . 1 1 200 200 SER N N 15 71.27831 0.50926 . . . . . . . 52653 1 168 . 1 1 201 201 GLY N N 15 70.44406 5.20728 . . . . . . . 52653 1 169 . 1 1 205 205 SER N N 15 104.67233 1.04397 . . . . . . . 52653 1 170 . 1 1 208 208 TYR N N 15 54.71108 0.30938 . . . . . . . 52653 1 171 . 1 1 209 209 GLY N N 15 93.91886 2.17540 . . . . . . . 52653 1 172 . 1 1 210 210 GLN N N 15 44.53863 0.95419 . . . . . . . 52653 1 173 . 1 1 211 211 GLN N N 15 49.23855 0.84753 . . . . . . . 52653 1 174 . 1 1 212 212 ASP N N 15 64.09127 0.84723 . . . . . . . 52653 1 175 . 1 1 213 213 ARG N N 15 55.18777 2.12087 . . . . . . . 52653 1 176 . 1 1 214 214 GLY N N 15 52.54269 0.51172 . . . . . . . 52653 1 177 . 1 1 216 216 ARG N N 15 50.00278 0.70694 . . . . . . . 52653 1 178 . 1 1 217 217 GLY N N 15 66.03319 1.35433 . . . . . . . 52653 1 179 . 1 1 218 218 ARG N N 15 61.45745 0.39467 . . . . . . . 52653 1 180 . 1 1 221 221 SER N N 15 57.73210 1.33391 . . . . . . . 52653 1 181 . 1 1 222 222 GLY N N 15 116.97341 5.99657 . . . . . . . 52653 1 182 . 1 1 232 232 TYR N N 15 38.63285 0.11385 . . . . . . . 52653 1 183 . 1 1 233 233 ASN N N 15 45.52426 0.55204 . . . . . . . 52653 1 184 . 1 1 234 234 ARG N N 15 39.70780 2.41227 . . . . . . . 52653 1 185 . 1 1 235 235 SER N N 15 47.56630 1.01464 . . . . . . . 52653 1 186 . 1 1 236 236 SER N N 15 79.21201 1.08900 . . . . . . . 52653 1 187 . 1 1 237 237 GLY N N 15 59.95566 1.97815 . . . . . . . 52653 1 188 . 1 1 239 239 TYR N N 15 46.89236 0.27330 . . . . . . . 52653 1 189 . 1 1 240 240 GLU N N 15 25.43694 1.79068 . . . . . . . 52653 1 190 . 1 1 242 242 ARG N N 15 42.52827 3.00989 . . . . . . . 52653 1 191 . 1 1 243 243 GLY N N 15 71.92841 17.90524 . . . . . . . 52653 1 192 . 1 1 244 244 ARG N N 15 49.28484 2.06317 . . . . . . . 52653 1 193 . 1 1 248 248 ARG N N 15 59.66564 0.11250 . . . . . . . 52653 1 194 . 1 1 251 251 ARG N N 15 57.09076 0.49859 . . . . . . . 52653 1 195 . 1 1 254 254 MET N N 15 67.99725 0.26972 . . . . . . . 52653 1 196 . 1 1 255 255 GLY N N 15 70.34495 1.28872 . . . . . . . 52653 1 197 . 1 1 257 257 SER N N 15 64.31167 0.55087 . . . . . . . 52653 1 198 . 1 1 258 258 ASP N N 15 57.43915 1.11188 . . . . . . . 52653 1 199 . 1 1 259 259 ARG N N 15 54.55649 0.48075 . . . . . . . 52653 1 200 . 1 1 260 260 GLY N N 15 51.98736 0.85660 . . . . . . . 52653 1 201 . 1 1 262 262 PHE N N 15 65.02847 1.01934 . . . . . . . 52653 1 202 . 1 1 263 263 ASN N N 15 56.76326 1.30436 . . . . . . . 52653 1 203 . 1 1 264 264 LYS N N 15 35.79177 1.05802 . . . . . . . 52653 1 204 . 1 1 265 265 PHE N N 15 51.12973 0.47561 . . . . . . . 52653 1 205 . 1 1 266 266 GLY N N 15 47.52041 2.73844 . . . . . . . 52653 1 stop_ save_