NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
37512 | 1pqr | 5869 | cing | 2-parsed | STAR | entry | full | 388 |
data_1pqr_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1pqr _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1pqr 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1pqr _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1pqr "Master copy" parsed_1pqr stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1pqr _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1pqr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pqr 1 1 1pqr.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1pqr 1 1 1pqr.mr . . DISCOVER 3 distance "disulfide bond" simple 9 parsed_1pqr 1 1 1pqr.mr . . DISCOVER 4 distance NOE simple 357 parsed_1pqr 1 1 1pqr.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1pqr 1 1 1pqr.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1pqr 1 1 1pqr.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pqr 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1pqr _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER TOXIN 18-JUN-03 1PQR *TITLE SOLUTION CONFORMATION OF ALPHAA-CONOTOXIN EIVA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-A-CONOTOXIN EIVA; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN CONUS *SOURCE 4 ERMINEUS VENOM. *KEYWDS ALPHA-HELIX, TWO DISULFIDE BONDS, C-TERM AMIDATION *EXPDTA NMR, 18 STRUCTURES *AUTHOR S.-W.CHI, K.-H.PARK, J.-E.SUK, B.M.OLIVERA, J.M.MCINTOSH, *AUTHOR 2 K.-H.HAN *REVDAT 1 04-NOV-03 1PQR 0 ; save_ save_Discover_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1pqr _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "disulfide bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1pqr 1 2 1 . . . parsed_1pqr 1 3 1 . . . parsed_1pqr 1 4 1 . . . parsed_1pqr 1 5 1 . . . parsed_1pqr 1 6 1 . . . parsed_1pqr 1 7 1 . . . parsed_1pqr 1 8 1 . . . parsed_1pqr 1 9 1 . . . parsed_1pqr 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . 1 2 CYS SG parsed_1pqr 1 1 1 2 . . . . . . . . 1 16 CYS SG parsed_1pqr 1 2 1 1 . . . . . . . . 1 2 CYS CB parsed_1pqr 1 2 1 2 . . . . . . . . 1 16 CYS SG parsed_1pqr 1 3 1 1 . . . . . . . . 1 2 CYS SG parsed_1pqr 1 3 1 2 . . . . . . . . 1 16 CYS CB parsed_1pqr 1 4 1 1 . . . . . . . . 1 3 CYS SG parsed_1pqr 1 4 1 2 . . . . . . . . 1 11 CYS SG parsed_1pqr 1 5 1 1 . . . . . . . . 1 3 CYS CB parsed_1pqr 1 5 1 2 . . . . . . . . 1 11 CYS SG parsed_1pqr 1 6 1 1 . . . . . . . . 1 3 CYS SG parsed_1pqr 1 6 1 2 . . . . . . . . 1 11 CYS CB parsed_1pqr 1 7 1 1 . . . . . . . . 1 14 CYS SG parsed_1pqr 1 7 1 2 . . . . . . . . 1 24 CYS SG parsed_1pqr 1 8 1 1 . . . . . . . . 1 14 CYS CB parsed_1pqr 1 8 1 2 . . . . . . . . 1 24 CYS SG parsed_1pqr 1 9 1 1 . . . . . . . . 1 14 CYS SG parsed_1pqr 1 9 1 2 . . . . . . . . 1 24 CYS CB parsed_1pqr 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . 1.800 2.300 parsed_1pqr 1 2 1 . . . . . . 2.500 3.600 parsed_1pqr 1 3 1 . . . . . . 2.500 3.600 parsed_1pqr 1 4 1 . . . . . . 1.800 2.300 parsed_1pqr 1 5 1 . . . . . . 2.500 3.600 parsed_1pqr 1 6 1 . . . . . . 2.500 3.600 parsed_1pqr 1 7 1 . . . . . . 1.800 2.300 parsed_1pqr 1 8 1 . . . . . . 2.500 3.600 parsed_1pqr 1 9 1 . . . . . . 2.500 3.600 parsed_1pqr 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 ; NOE_distance Disulfide bonds ; 1 1 2 16 parsed_1pqr 1 stop_ save_ save_Discover_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1pqr _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1pqr 2 2 1 . . . parsed_1pqr 2 3 1 . . . parsed_1pqr 2 4 1 . . . parsed_1pqr 2 5 1 . . . parsed_1pqr 2 6 1 . . . parsed_1pqr 2 7 1 . . . parsed_1pqr 2 8 1 . . . parsed_1pqr 2 9 1 . . . parsed_1pqr 2 10 1 . . . parsed_1pqr 2 11 1 . . . parsed_1pqr 2 12 1 . . . parsed_1pqr 2 13 1 . . . parsed_1pqr 2 14 1 . . . parsed_1pqr 2 15 1 . . . parsed_1pqr 2 16 1 . . . parsed_1pqr 2 17 1 . . . parsed_1pqr 2 18 1 . . . parsed_1pqr 2 19 1 . . . parsed_1pqr 2 20 1 . . . parsed_1pqr 2 21 1 . . . parsed_1pqr 2 22 1 . . . parsed_1pqr 2 23 1 . . . parsed_1pqr 2 24 1 . . . parsed_1pqr 2 25 1 . . . parsed_1pqr 2 26 1 . . . parsed_1pqr 2 27 1 . . . parsed_1pqr 2 28 1 . . . parsed_1pqr 2 29 1 . . . parsed_1pqr 2 30 1 . . . parsed_1pqr 2 31 1 . . . parsed_1pqr 2 32 1 . . . parsed_1pqr 2 33 1 . . . parsed_1pqr 2 34 1 . . . parsed_1pqr 2 35 1 . . . parsed_1pqr 2 36 1 . . . parsed_1pqr 2 37 1 . . . parsed_1pqr 2 38 1 . . . parsed_1pqr 2 39 1 . . . parsed_1pqr 2 40 1 . . . parsed_1pqr 2 41 1 . . . parsed_1pqr 2 42 1 . . . parsed_1pqr 2 43 1 . . . parsed_1pqr 2 44 1 . . . parsed_1pqr 2 45 1 . . . parsed_1pqr 2 46 1 . . . parsed_1pqr 2 47 1 . . . parsed_1pqr 2 48 1 . . . parsed_1pqr 2 49 1 . . . parsed_1pqr 2 50 1 . . . parsed_1pqr 2 51 1 . . . parsed_1pqr 2 52 1 . . . parsed_1pqr 2 53 1 . . . parsed_1pqr 2 54 1 . . . parsed_1pqr 2 55 1 . . . parsed_1pqr 2 56 1 . . . parsed_1pqr 2 57 1 . . . parsed_1pqr 2 58 1 . . . parsed_1pqr 2 59 1 . . . parsed_1pqr 2 60 1 . . . parsed_1pqr 2 61 1 . . . parsed_1pqr 2 62 1 . . . parsed_1pqr 2 63 1 . . . parsed_1pqr 2 64 1 . . . parsed_1pqr 2 65 1 . . . parsed_1pqr 2 66 1 . . . parsed_1pqr 2 67 1 . . . parsed_1pqr 2 68 1 . . . parsed_1pqr 2 69 1 . . . parsed_1pqr 2 70 1 . . . parsed_1pqr 2 71 1 . . . parsed_1pqr 2 72 1 . . . parsed_1pqr 2 73 1 . . . parsed_1pqr 2 74 1 . . . parsed_1pqr 2 75 1 . . . parsed_1pqr 2 76 1 . . . parsed_1pqr 2 77 1 . . . parsed_1pqr 2 78 1 . . . parsed_1pqr 2 79 1 . . . parsed_1pqr 2 80 1 . . . parsed_1pqr 2 81 1 . . . parsed_1pqr 2 82 1 . . . parsed_1pqr 2 83 1 . . . parsed_1pqr 2 84 1 . . . parsed_1pqr 2 85 1 . . . parsed_1pqr 2 86 1 . . . parsed_1pqr 2 87 1 . . . parsed_1pqr 2 88 1 . . . parsed_1pqr 2 89 1 . . . parsed_1pqr 2 90 1 . . . parsed_1pqr 2 91 1 . . . parsed_1pqr 2 92 1 . . . parsed_1pqr 2 93 1 . . . parsed_1pqr 2 94 1 . . . parsed_1pqr 2 95 1 . . . parsed_1pqr 2 96 1 . . . parsed_1pqr 2 97 1 . . . parsed_1pqr 2 98 1 . . . parsed_1pqr 2 99 1 . . . parsed_1pqr 2 100 1 . . . parsed_1pqr 2 101 1 . . . parsed_1pqr 2 102 1 . . . parsed_1pqr 2 103 1 . . . parsed_1pqr 2 104 1 . . . parsed_1pqr 2 105 1 . . . parsed_1pqr 2 106 1 . . . parsed_1pqr 2 107 1 . . . parsed_1pqr 2 108 1 . . . parsed_1pqr 2 109 1 . . . parsed_1pqr 2 110 1 . . . parsed_1pqr 2 111 1 . . . parsed_1pqr 2 112 1 . . . parsed_1pqr 2 113 1 . . . parsed_1pqr 2 114 1 . . . parsed_1pqr 2 115 1 . . . parsed_1pqr 2 116 1 . . . parsed_1pqr 2 117 1 . . . parsed_1pqr 2 118 1 . . . parsed_1pqr 2 119 1 . . . parsed_1pqr 2 120 1 . . . parsed_1pqr 2 121 1 . . . parsed_1pqr 2 122 1 . . . parsed_1pqr 2 123 1 . . . parsed_1pqr 2 124 1 . . . parsed_1pqr 2 125 1 . . . parsed_1pqr 2 126 1 . . . parsed_1pqr 2 127 1 . . . parsed_1pqr 2 128 1 . . . parsed_1pqr 2 129 1 . . . parsed_1pqr 2 130 1 . . . parsed_1pqr 2 131 1 . . . parsed_1pqr 2 132 1 . . . parsed_1pqr 2 133 1 . . . parsed_1pqr 2 134 1 . . . parsed_1pqr 2 135 1 . . . parsed_1pqr 2 136 1 . . . parsed_1pqr 2 137 1 . . . parsed_1pqr 2 138 1 . . . parsed_1pqr 2 139 1 . . . parsed_1pqr 2 140 1 . . . parsed_1pqr 2 141 1 . . . parsed_1pqr 2 142 1 . . . parsed_1pqr 2 143 1 . . . parsed_1pqr 2 144 1 . . . parsed_1pqr 2 145 1 . . . parsed_1pqr 2 146 1 . . . parsed_1pqr 2 147 1 . . . parsed_1pqr 2 148 1 . . . parsed_1pqr 2 149 1 . . . parsed_1pqr 2 150 1 . . . parsed_1pqr 2 151 1 . . . parsed_1pqr 2 152 1 . . . parsed_1pqr 2 153 1 . . . parsed_1pqr 2 154 1 . . . parsed_1pqr 2 155 1 . . . parsed_1pqr 2 156 1 . . . parsed_1pqr 2 157 1 . . . parsed_1pqr 2 158 1 . . . parsed_1pqr 2 159 1 . . . parsed_1pqr 2 160 1 . . . parsed_1pqr 2 161 1 . . . parsed_1pqr 2 162 1 . . . parsed_1pqr 2 163 1 . . . parsed_1pqr 2 164 1 . . . parsed_1pqr 2 165 1 . . . parsed_1pqr 2 166 1 . . . parsed_1pqr 2 167 1 . . . parsed_1pqr 2 168 1 . . . parsed_1pqr 2 169 1 . . . parsed_1pqr 2 170 1 . . . parsed_1pqr 2 171 1 . . . parsed_1pqr 2 172 1 . . . parsed_1pqr 2 173 1 . . . parsed_1pqr 2 174 1 . . . parsed_1pqr 2 175 1 . . . parsed_1pqr 2 176 1 . . . parsed_1pqr 2 177 1 . . . parsed_1pqr 2 178 1 . . . parsed_1pqr 2 179 1 . . . parsed_1pqr 2 180 1 . . . parsed_1pqr 2 181 1 . . . parsed_1pqr 2 182 1 . . . parsed_1pqr 2 183 1 . . . parsed_1pqr 2 184 1 . . . parsed_1pqr 2 185 1 . . . parsed_1pqr 2 186 1 . . . parsed_1pqr 2 187 1 . . . parsed_1pqr 2 188 1 . . . parsed_1pqr 2 189 1 . . . parsed_1pqr 2 190 1 . . . parsed_1pqr 2 191 1 . . . parsed_1pqr 2 192 1 . . . parsed_1pqr 2 193 1 . . . parsed_1pqr 2 194 1 . . . parsed_1pqr 2 195 1 . . . parsed_1pqr 2 196 1 . . . parsed_1pqr 2 197 1 . . . parsed_1pqr 2 198 1 . . . parsed_1pqr 2 199 1 . . . parsed_1pqr 2 200 1 . . . parsed_1pqr 2 201 1 . . . parsed_1pqr 2 202 1 . . . parsed_1pqr 2 203 1 . . . parsed_1pqr 2 204 1 . . . parsed_1pqr 2 205 1 . . . parsed_1pqr 2 206 1 . . . parsed_1pqr 2 207 1 . . . parsed_1pqr 2 208 1 . . . parsed_1pqr 2 209 1 . . . parsed_1pqr 2 210 1 . . . parsed_1pqr 2 211 1 . . . parsed_1pqr 2 212 1 . . . parsed_1pqr 2 213 1 . . . parsed_1pqr 2 214 1 . . . parsed_1pqr 2 215 1 . . . parsed_1pqr 2 216 1 . . . parsed_1pqr 2 217 1 . . . parsed_1pqr 2 218 1 . . . parsed_1pqr 2 219 1 . . . parsed_1pqr 2 220 1 . . . parsed_1pqr 2 221 1 . . . parsed_1pqr 2 222 1 . . . parsed_1pqr 2 223 1 . . . parsed_1pqr 2 224 1 . . . parsed_1pqr 2 225 1 . . . parsed_1pqr 2 226 1 . . . parsed_1pqr 2 227 1 . . . parsed_1pqr 2 228 1 . . . parsed_1pqr 2 229 1 . . . parsed_1pqr 2 230 1 . . . parsed_1pqr 2 231 1 . . . parsed_1pqr 2 232 1 . . . parsed_1pqr 2 233 1 . . . parsed_1pqr 2 234 1 . . . parsed_1pqr 2 235 1 . . . parsed_1pqr 2 236 1 . . . parsed_1pqr 2 237 1 . . . parsed_1pqr 2 238 1 . . . parsed_1pqr 2 239 1 . . . parsed_1pqr 2 240 1 . . . parsed_1pqr 2 241 1 . . . parsed_1pqr 2 242 1 . . . parsed_1pqr 2 243 1 . . . parsed_1pqr 2 244 1 . . . parsed_1pqr 2 245 1 . . . parsed_1pqr 2 246 1 . . . parsed_1pqr 2 247 1 . . . parsed_1pqr 2 248 1 . . . parsed_1pqr 2 249 1 . . . parsed_1pqr 2 250 1 . . . parsed_1pqr 2 251 1 . . . parsed_1pqr 2 252 1 . . . parsed_1pqr 2 253 1 . . . parsed_1pqr 2 254 1 . . . parsed_1pqr 2 255 1 . . . parsed_1pqr 2 256 1 . . . parsed_1pqr 2 257 1 . . . parsed_1pqr 2 258 1 . . . parsed_1pqr 2 259 1 . . . parsed_1pqr 2 260 1 . . . parsed_1pqr 2 261 1 . . . parsed_1pqr 2 262 1 . . . parsed_1pqr 2 263 1 . . . parsed_1pqr 2 264 1 . . . parsed_1pqr 2 265 1 . . . parsed_1pqr 2 266 1 . . . parsed_1pqr 2 267 1 . . . parsed_1pqr 2 268 1 . . . parsed_1pqr 2 269 1 . . . parsed_1pqr 2 270 1 . . . parsed_1pqr 2 271 1 . . . parsed_1pqr 2 272 1 . . . parsed_1pqr 2 273 1 . . . parsed_1pqr 2 274 1 . . . parsed_1pqr 2 275 1 . . . parsed_1pqr 2 276 1 . . . parsed_1pqr 2 277 1 . . . parsed_1pqr 2 278 1 . . . parsed_1pqr 2 279 1 . . . parsed_1pqr 2 280 1 . . . parsed_1pqr 2 281 1 . . . parsed_1pqr 2 282 1 . . . parsed_1pqr 2 283 1 . . . parsed_1pqr 2 284 1 . . . parsed_1pqr 2 285 1 . . . parsed_1pqr 2 286 1 . . . parsed_1pqr 2 287 1 . . . parsed_1pqr 2 288 1 . . . parsed_1pqr 2 289 1 . . . parsed_1pqr 2 290 1 . . . parsed_1pqr 2 291 1 . . . parsed_1pqr 2 292 1 . . . parsed_1pqr 2 293 1 . . . parsed_1pqr 2 294 1 . . . parsed_1pqr 2 295 1 . . . parsed_1pqr 2 296 1 . . . parsed_1pqr 2 297 1 . . . parsed_1pqr 2 298 1 . . . parsed_1pqr 2 299 1 . . . parsed_1pqr 2 300 1 . . . parsed_1pqr 2 301 1 . . . parsed_1pqr 2 302 1 . . . parsed_1pqr 2 303 1 . . . parsed_1pqr 2 304 1 . . . parsed_1pqr 2 305 1 . . . parsed_1pqr 2 306 1 . . . parsed_1pqr 2 307 1 . . . parsed_1pqr 2 308 1 . . . parsed_1pqr 2 309 1 . . . parsed_1pqr 2 310 1 . . . parsed_1pqr 2 311 1 . . . parsed_1pqr 2 312 1 . . . parsed_1pqr 2 313 1 . . . parsed_1pqr 2 314 1 . . . parsed_1pqr 2 315 1 . . . parsed_1pqr 2 316 1 . . . parsed_1pqr 2 317 1 . . . parsed_1pqr 2 318 1 . . . parsed_1pqr 2 319 1 . . . parsed_1pqr 2 320 1 . . . parsed_1pqr 2 321 1 . . . parsed_1pqr 2 322 1 . . . parsed_1pqr 2 323 1 . . . parsed_1pqr 2 324 1 . . . parsed_1pqr 2 325 1 . . . parsed_1pqr 2 326 1 . . . parsed_1pqr 2 327 1 . . . parsed_1pqr 2 328 1 . . . parsed_1pqr 2 329 1 . . . parsed_1pqr 2 330 1 . . . parsed_1pqr 2 331 1 . . . parsed_1pqr 2 332 1 . . . parsed_1pqr 2 333 1 . . . parsed_1pqr 2 334 1 . . . parsed_1pqr 2 335 1 . . . parsed_1pqr 2 336 1 . . . parsed_1pqr 2 337 1 . . . parsed_1pqr 2 338 1 . . . parsed_1pqr 2 339 1 . . . parsed_1pqr 2 340 1 . . . parsed_1pqr 2 341 1 . . . parsed_1pqr 2 342 1 . . . parsed_1pqr 2 343 1 . . . parsed_1pqr 2 344 1 . . . parsed_1pqr 2 345 1 . . . parsed_1pqr 2 346 1 . . . parsed_1pqr 2 347 1 . . . parsed_1pqr 2 348 1 . . . parsed_1pqr 2 349 1 . . . parsed_1pqr 2 350 1 . . . parsed_1pqr 2 351 1 . . . parsed_1pqr 2 352 1 . . . parsed_1pqr 2 353 1 . . . parsed_1pqr 2 354 1 . . . parsed_1pqr 2 355 1 . . . parsed_1pqr 2 356 1 . . . parsed_1pqr 2 357 1 . . . parsed_1pqr 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2 1 1 2 . . . . . . . . 1 2 CYS HB1 parsed_1pqr 2 2 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2 2 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1pqr 2 3 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2 3 1 2 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 4 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2 4 1 2 . . . . . . . . 1 1 GLYn HA* parsed_1pqr 2 5 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2 5 1 2 . . . . . . . . 1 2 CYS HA parsed_1pqr 2 6 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2 6 1 2 . . . . . . . . 1 16 CYS HB1 parsed_1pqr 2 7 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 7 1 2 . . . . . . . . 1 2 CYS HB1 parsed_1pqr 2 8 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 8 1 2 . . . . . . . . 1 3 CYS HB2 parsed_1pqr 2 9 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 9 1 2 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 10 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 10 1 2 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 11 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 11 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 12 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 12 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2 13 1 1 . . . . . . . . 1 3 CYS HA parsed_1pqr 2 13 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 14 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 14 1 2 . . . . . . . . 1 2 CYS HA parsed_1pqr 2 15 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2 15 1 2 . . . . . . . . 1 3 CYS HA parsed_1pqr 2 16 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 16 1 2 . . . . . . . . 1 3 CYS HB1 parsed_1pqr 2 17 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 17 1 2 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2 18 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 18 1 2 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 19 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 19 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 20 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2 20 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 21 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2 21 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 22 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 22 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 23 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 23 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 24 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 24 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2 25 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 25 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 26 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 26 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 27 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 27 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2 28 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2 28 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 29 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2 29 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 30 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 30 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 31 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 31 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2 32 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 32 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 33 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2 33 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2 34 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 34 1 2 . . . . . . . . 1 3 CYS HA parsed_1pqr 2 35 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 35 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2 36 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 36 1 2 . . . . . . . . 1 6 TYR HN parsed_1pqr 2 37 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 37 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2 38 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 38 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 39 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 39 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 40 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 40 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2 41 1 1 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2 41 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2 42 1 1 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2 42 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2 43 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 43 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2 44 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 44 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2 45 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 45 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2 46 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 46 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2 47 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 47 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2 48 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 48 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2 49 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 49 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2 50 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 50 1 2 . . . . . . . . 1 17 LYS+ HG2 parsed_1pqr 2 51 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 51 1 2 . . . . . . . . 1 17 LYS+ HE1 parsed_1pqr 2 52 1 1 . . . . . . . . 1 5 PRO HB1 parsed_1pqr 2 52 1 2 . . . . . . . . 1 17 LYS+ HD1 parsed_1pqr 2 53 1 1 . . . . . . . . 1 5 PRO HB1 parsed_1pqr 2 53 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2 54 1 1 . . . . . . . . 1 5 PRO HB2 parsed_1pqr 2 54 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2 55 1 1 . . . . . . . . 1 5 PRO HB2 parsed_1pqr 2 55 1 2 . . . . . . . . 1 17 LYS+ HG2 parsed_1pqr 2 56 1 1 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2 56 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 57 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 57 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 58 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 58 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 59 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 59 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 60 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 60 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2 61 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2 61 1 2 . . . . . . . . 1 5 PRO HA parsed_1pqr 2 62 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2 62 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 63 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2 63 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2 64 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2 64 1 2 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 65 1 1 . . . . . . . . 1 6 TYR HA parsed_1pqr 2 65 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2 66 1 1 . . . . . . . . 1 6 TYR HA parsed_1pqr 2 66 1 2 . . . . . . . . 1 6 TYR HB1 parsed_1pqr 2 67 1 1 . . . . . . . . 1 6 TYR HA parsed_1pqr 2 67 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2 68 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 68 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 69 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 69 1 2 . . . . . . . . 1 7 PRO HA parsed_1pqr 2 70 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 70 1 2 . . . . . . . . 1 6 TYR HB1 parsed_1pqr 2 71 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 71 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2 72 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 72 1 2 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 73 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 73 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2 74 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 74 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 75 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 75 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2 76 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 76 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2 77 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2 77 1 2 . . . . . . . . 1 6 TYR HA parsed_1pqr 2 78 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2 78 1 2 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 79 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 79 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2 80 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 80 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2 81 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 81 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2 82 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 82 1 2 . . . . . . . . 1 6 TYR HA parsed_1pqr 2 83 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2 83 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2 84 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 84 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2 85 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 85 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2 86 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2 86 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2 87 1 1 . . . . . . . . 1 7 PRO HA parsed_1pqr 2 87 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2 88 1 1 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2 88 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2 89 1 1 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2 89 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2 90 1 1 . . . . . . . . 1 7 PRO HG parsed_1pqr 2 90 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2 91 1 1 . . . . . . . . 1 7 PRO HG parsed_1pqr 2 91 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2 92 1 1 . . . . . . . . 1 7 PRO HG parsed_1pqr 2 92 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2 93 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2 93 1 2 . . . . . . . . 1 8 ASN HB* parsed_1pqr 2 94 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2 94 1 2 . . . . . . . . 1 7 PRO HA parsed_1pqr 2 95 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2 95 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2 96 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2 96 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2 97 1 1 . . . . . . . . 1 8 ASN HD21 parsed_1pqr 2 97 1 2 . . . . . . . . 1 8 ASN HB* parsed_1pqr 2 98 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2 98 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2 99 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2 99 1 2 . . . . . . . . 1 8 ASN HA parsed_1pqr 2 100 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2 100 1 2 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 101 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2 101 1 2 . . . . . . . . 1 10 ALA HN parsed_1pqr 2 102 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2 102 1 2 . . . . . . . . 1 9 ALA HA parsed_1pqr 2 103 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2 103 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2 104 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2 104 1 2 . . . . . . . . 1 8 ASN HB* parsed_1pqr 2 105 1 1 . . . . . . . . 1 9 ALA HA parsed_1pqr 2 105 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2 106 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2 106 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2 107 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2 107 1 2 . . . . . . . . 1 8 ASN HA parsed_1pqr 2 108 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2 108 1 2 . . . . . . . . 1 10 ALA HA parsed_1pqr 2 109 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2 109 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2 110 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2 110 1 2 . . . . . . . . 1 9 ALA HA parsed_1pqr 2 111 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2 111 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2 112 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2 112 1 2 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 113 1 1 . . . . . . . . 1 10 ALA HA parsed_1pqr 2 113 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2 114 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 114 1 2 . . . . . . . . 1 10 ALA HA parsed_1pqr 2 115 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 115 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2 116 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 116 1 2 . . . . . . . . 1 9 ALA HA parsed_1pqr 2 117 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 117 1 2 . . . . . . . . 1 11 CYS HA parsed_1pqr 2 118 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 118 1 2 . . . . . . . . 1 11 CYS HB1 parsed_1pqr 2 119 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 119 1 2 . . . . . . . . 1 11 CYS HB2 parsed_1pqr 2 120 1 1 . . . . . . . . 1 11 CYS HA parsed_1pqr 2 120 1 2 . . . . . . . . 1 11 CYS HB1 parsed_1pqr 2 121 1 1 . . . . . . . . 1 11 CYS HA parsed_1pqr 2 121 1 2 . . . . . . . . 1 11 CYS HB2 parsed_1pqr 2 122 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 122 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2 123 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 123 1 2 . . . . . . . . 1 3 CYS HB1 parsed_1pqr 2 124 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 124 1 2 . . . . . . . . 1 11 CYS HA parsed_1pqr 2 125 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 125 1 2 . . . . . . . . 1 11 CYS HB1 parsed_1pqr 2 126 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 126 1 2 . . . . . . . . 1 11 CYS HN parsed_1pqr 2 127 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 127 1 2 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 128 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 128 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2 129 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 129 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2 130 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 130 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2 131 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2 131 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 132 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2 132 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2 133 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2 133 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2 134 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2 134 1 2 . . . . . . . . 1 13 PRO HD1 parsed_1pqr 2 135 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2 135 1 2 . . . . . . . . 1 13 PRO HD2 parsed_1pqr 2 136 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 136 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2 137 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 137 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2 138 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 138 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2 139 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 139 1 2 . . . . . . . . 1 10 ALA HA parsed_1pqr 2 140 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2 140 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2 141 1 1 . . . . . . . . 1 13 PRO HA parsed_1pqr 2 141 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2 142 1 1 . . . . . . . . 1 13 PRO HA parsed_1pqr 2 142 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 143 1 1 . . . . . . . . 1 13 PRO HD2 parsed_1pqr 2 143 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 144 1 1 . . . . . . . . 1 13 PRO HG parsed_1pqr 2 144 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 145 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 145 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2 146 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 146 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1pqr 2 147 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 147 1 2 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 148 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 148 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2 149 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 149 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2 150 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 150 1 2 . . . . . . . . 1 13 PRO HA parsed_1pqr 2 151 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 151 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 152 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 152 1 2 . . . . . . . . 1 13 PRO HD2 parsed_1pqr 2 153 1 1 . . . . . . . . 1 14 CYS HA parsed_1pqr 2 153 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2 154 1 1 . . . . . . . . 1 14 CYS HA parsed_1pqr 2 154 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1pqr 2 155 1 1 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2 155 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2 156 1 1 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2 156 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 157 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 157 1 2 . . . . . . . . 1 14 CYS HA parsed_1pqr 2 158 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 158 1 2 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 159 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 159 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 160 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 160 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 161 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2 161 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 162 1 1 . . . . . . . . 1 14 CYS HA parsed_1pqr 2 162 1 2 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 163 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 163 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2 164 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 164 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1pqr 2 165 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 165 1 2 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 166 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 166 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2 167 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 167 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2 168 1 1 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2 168 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2 169 1 1 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2 169 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2 170 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 170 1 2 . . . . . . . . 1 14 CYS HA parsed_1pqr 2 171 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 171 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 172 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2 172 1 2 . . . . . . . . 1 4 GLY HN parsed_1pqr 2 173 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 173 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2 174 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 174 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2 175 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 175 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2 176 1 1 . . . . . . . . 1 16 CYS HB1 parsed_1pqr 2 176 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1pqr 2 177 1 1 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2 177 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2 178 1 1 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2 178 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 179 1 1 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2 179 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 180 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 180 1 2 . . . . . . . . 1 16 CYS HA parsed_1pqr 2 181 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 181 1 2 . . . . . . . . 1 2 CYS HB1 parsed_1pqr 2 182 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2 182 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1pqr 2 183 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 183 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2 184 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 184 1 2 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2 185 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 185 1 2 . . . . . . . . 1 17 LYS+ HB1 parsed_1pqr 2 186 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 186 1 2 . . . . . . . . 1 17 LYS+ HB2 parsed_1pqr 2 187 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 187 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2 188 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 188 1 2 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 189 1 1 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2 189 1 2 . . . . . . . . 1 17 LYS+ HB1 parsed_1pqr 2 190 1 1 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2 190 1 2 . . . . . . . . 1 17 LYS+ HB2 parsed_1pqr 2 191 1 1 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2 191 1 2 . . . . . . . . 1 17 LYS+ HG2 parsed_1pqr 2 192 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 192 1 2 . . . . . . . . 1 16 CYS HA parsed_1pqr 2 193 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2 193 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2 194 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 194 1 2 . . . . . . . . 1 16 CYS HB1 parsed_1pqr 2 195 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 195 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2 196 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 196 1 2 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2 197 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 197 1 2 . . . . . . . . 1 17 LYS+ HB1 parsed_1pqr 2 198 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 198 1 2 . . . . . . . . 1 18 VAL HA parsed_1pqr 2 199 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 199 1 2 . . . . . . . . 1 18 VAL HB parsed_1pqr 2 200 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2 200 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2 201 1 1 . . . . . . . . 1 18 VAL HA parsed_1pqr 2 201 1 2 . . . . . . . . 1 18 VAL HB parsed_1pqr 2 202 1 1 . . . . . . . . 1 18 VAL HA parsed_1pqr 2 202 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2 203 1 1 . . . . . . . . 1 18 VAL HB parsed_1pqr 2 203 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2 204 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2 204 1 2 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 205 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2 205 1 2 . . . . . . . . 1 19 GLY HA1 parsed_1pqr 2 206 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2 206 1 2 . . . . . . . . 1 19 GLY HA2 parsed_1pqr 2 207 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2 207 1 2 . . . . . . . . 1 18 VAL HA parsed_1pqr 2 208 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2 208 1 2 . . . . . . . . 1 18 VAL HB parsed_1pqr 2 209 1 1 . . . . . . . . 1 19 GLY HA2 parsed_1pqr 2 209 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2 210 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 210 1 2 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2 211 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 211 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2 212 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 212 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 213 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 213 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 214 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 214 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2 215 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 215 1 2 . . . . . . . . 1 19 GLY HA2 parsed_1pqr 2 216 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2 216 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2 217 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2 217 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 218 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2 218 1 2 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2 219 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2 219 1 2 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 220 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2 220 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2 221 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2 221 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 222 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2 222 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 223 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2 223 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2 224 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2 224 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2 225 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2 225 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 226 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2 226 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 227 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2 227 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2 228 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 228 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2 229 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 229 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 230 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 230 1 2 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2 231 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 231 1 2 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2 232 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 232 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 233 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 233 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2 234 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 234 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 235 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2 235 1 2 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2 236 1 1 . . . . . . . . 1 21 PRO HA parsed_1pqr 2 236 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2 237 1 1 . . . . . . . . 1 21 PRO HA parsed_1pqr 2 237 1 2 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2 238 1 1 . . . . . . . . 1 21 PRO HA parsed_1pqr 2 238 1 2 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2 239 1 1 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2 239 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2 240 1 1 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2 240 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 241 1 1 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2 241 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 242 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 242 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2 243 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 243 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 244 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 244 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 245 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 245 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2 246 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 246 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2 247 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 247 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 248 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 248 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2 249 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 249 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 250 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2 250 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2 251 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2 251 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 252 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2 252 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2 253 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2 253 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 254 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2 254 1 2 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2 255 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2 255 1 2 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2 256 1 1 . . . . . . . . 1 22 PRO HA parsed_1pqr 2 256 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2 257 1 1 . . . . . . . . 1 22 PRO HA parsed_1pqr 2 257 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2 258 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2 258 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2 259 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2 259 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 260 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2 260 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2 261 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2 261 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2 262 1 1 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2 262 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 263 1 1 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2 263 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2 264 1 1 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2 264 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2 265 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2 265 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2 266 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2 266 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2 267 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2 267 1 2 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2 268 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2 268 1 2 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2 269 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 269 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 270 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 270 1 2 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 271 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 271 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2 272 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 272 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 273 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 273 1 2 . . . . . . . . 1 22 PRO HA parsed_1pqr 2 274 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 274 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2 275 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 275 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2 276 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 276 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2 277 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 277 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2 278 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 278 1 2 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 279 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 279 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 280 1 1 . . . . . . . . 1 23 TYR HA parsed_1pqr 2 280 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2 281 1 1 . . . . . . . . 1 23 TYR HA parsed_1pqr 2 281 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2 282 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 282 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2 283 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 283 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2 284 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 284 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 285 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 285 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2 286 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 286 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2 287 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 287 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2 288 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 288 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2 289 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 289 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 290 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 290 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2 291 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 291 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2 292 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 292 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2 293 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 293 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 294 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 294 1 2 . . . . . . . . 1 21 PRO HG parsed_1pqr 2 295 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 295 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2 296 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 296 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2 297 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 297 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2 298 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 298 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2 299 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 299 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2 300 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 300 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 301 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 301 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2 302 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 302 1 2 . . . . . . . . 1 22 PRO HA parsed_1pqr 2 303 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 303 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2 304 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 304 1 2 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2 305 1 1 . . . . . . . . 1 24 CYS HA parsed_1pqr 2 305 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2 306 1 1 . . . . . . . . 1 24 CYS HA parsed_1pqr 2 306 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 307 1 1 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2 307 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 308 1 1 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2 308 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 309 1 1 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 309 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2 310 1 1 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 310 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2 311 1 1 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 311 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2 312 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 312 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2 313 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 313 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2 314 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 314 1 2 . . . . . . . . 1 25 ASP HA parsed_1pqr 2 315 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 315 1 2 . . . . . . . . 1 25 ASP HB2 parsed_1pqr 2 316 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 316 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2 317 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 317 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2 318 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 318 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2 319 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 319 1 2 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 320 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 320 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2 321 1 1 . . . . . . . . 1 25 ASP HA parsed_1pqr 2 321 1 2 . . . . . . . . 1 25 ASP HB1 parsed_1pqr 2 322 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2 322 1 2 . . . . . . . . 1 23 TYR HN parsed_1pqr 2 323 1 1 . . . . . . . . 1 25 ASP HA parsed_1pqr 2 323 1 2 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 324 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 324 1 2 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2 325 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 325 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2 326 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 326 1 2 . . . . . . . . 1 26 ARG+ HB2 parsed_1pqr 2 327 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 327 1 2 . . . . . . . . 1 26 ARG+ HG* parsed_1pqr 2 328 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 328 1 2 . . . . . . . . 1 25 ASP HA parsed_1pqr 2 329 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 329 1 2 . . . . . . . . 1 25 ASP HB1 parsed_1pqr 2 330 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 330 1 2 . . . . . . . . 1 25 ASP HB2 parsed_1pqr 2 331 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 331 1 2 . . . . . . . . 1 24 CYS HN parsed_1pqr 2 332 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 332 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2 333 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2 333 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2 334 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2 334 1 2 . . . . . . . . 1 26 ARG+ HG* parsed_1pqr 2 335 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2 335 1 2 . . . . . . . . 1 27 PRO HD1 parsed_1pqr 2 336 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2 336 1 2 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2 337 1 1 . . . . . . . . 1 26 ARG+ HD* parsed_1pqr 2 337 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2 338 1 1 . . . . . . . . 1 26 ARG+ HD* parsed_1pqr 2 338 1 2 . . . . . . . . 1 26 ARG+ HB2 parsed_1pqr 2 339 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2 339 1 2 . . . . . . . . 1 26 ARG+ HD* parsed_1pqr 2 340 1 1 . . . . . . . . 1 27 PRO HD1 parsed_1pqr 2 340 1 2 . . . . . . . . 1 26 ARG+ HG* parsed_1pqr 2 341 1 1 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2 341 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2 342 1 1 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2 342 1 2 . . . . . . . . 1 27 PRO HB2 parsed_1pqr 2 343 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2 343 1 2 . . . . . . . . 1 27 PRO HB1 parsed_1pqr 2 344 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2 344 1 2 . . . . . . . . 1 27 PRO HB2 parsed_1pqr 2 345 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2 345 1 2 . . . . . . . . 1 27 PRO HD1 parsed_1pqr 2 346 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2 346 1 2 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2 347 1 1 . . . . . . . . 1 27 PRO HA parsed_1pqr 2 347 1 2 . . . . . . . . 1 29 GLY HN parsed_1pqr 2 348 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2 348 1 2 . . . . . . . . 1 29 GLY HN parsed_1pqr 2 349 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2 349 1 2 . . . . . . . . 1 27 PRO HA parsed_1pqr 2 350 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2 350 1 2 . . . . . . . . 1 27 PRO HB2 parsed_1pqr 2 351 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2 351 1 2 . . . . . . . . 1 28 SER HA parsed_1pqr 2 352 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2 352 1 2 . . . . . . . . 1 28 SER HB* parsed_1pqr 2 353 1 1 . . . . . . . . 1 29 GLY HN parsed_1pqr 2 353 1 2 . . . . . . . . 1 28 SER HA parsed_1pqr 2 354 1 1 . . . . . . . . 1 29 GLY HN parsed_1pqr 2 354 1 2 . . . . . . . . 1 28 SER HB* parsed_1pqr 2 355 1 1 . . . . . . . . 1 30 GLY HN parsed_1pqr 2 355 1 2 . . . . . . . . 1 29 GLY HA* parsed_1pqr 2 356 1 1 . . . . . . . . 1 30 GLY HN parsed_1pqr 2 356 1 2 . . . . . . . . 1 29 GLY HN parsed_1pqr 2 357 1 1 . . . . . . . . 1 30 GLY HN parsed_1pqr 2 357 1 2 . . . . . . . . 1 30 GLY HA* parsed_1pqr 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . 1.800 3.895 parsed_1pqr 2 2 1 . . . . . . 1.800 4.458 parsed_1pqr 2 3 1 . . . . . . 1.800 3.474 parsed_1pqr 2 4 1 . . . . . . 1.800 3.600 parsed_1pqr 2 5 1 . . . . . . 1.800 3.300 parsed_1pqr 2 6 1 . . . . . . 1.800 6.000 parsed_1pqr 2 7 1 . . . . . . 1.800 4.747 parsed_1pqr 2 8 1 . . . . . . 1.800 3.148 parsed_1pqr 2 9 1 . . . . . . 1.800 4.479 parsed_1pqr 2 10 1 . . . . . . 1.800 3.188 parsed_1pqr 2 11 1 . . . . . . 5.000 30.00 parsed_1pqr 2 12 1 . . . . . . 5.000 30.00 parsed_1pqr 2 13 1 . . . . . . 5.000 30.00 parsed_1pqr 2 14 1 . . . . . . 2.600 3.600 parsed_1pqr 2 15 1 . . . . . . 1.800 3.300 parsed_1pqr 2 16 1 . . . . . . 1.800 3.941 parsed_1pqr 2 17 1 . . . . . . 1.800 3.268 parsed_1pqr 2 18 1 . . . . . . 1.800 3.132 parsed_1pqr 2 19 1 . . . . . . 1.800 4.069 parsed_1pqr 2 20 1 . . . . . . 1.800 3.071 parsed_1pqr 2 21 1 . . . . . . 1.800 3.107 parsed_1pqr 2 22 1 . . . . . . 1.800 2.855 parsed_1pqr 2 23 1 . . . . . . 1.800 3.003 parsed_1pqr 2 24 1 . . . . . . 5.000 30.00 parsed_1pqr 2 25 1 . . . . . . 5.000 30.00 parsed_1pqr 2 26 1 . . . . . . 5.000 30.00 parsed_1pqr 2 27 1 . . . . . . 5.000 30.00 parsed_1pqr 2 28 1 . . . . . . 5.000 30.00 parsed_1pqr 2 29 1 . . . . . . 5.000 30.00 parsed_1pqr 2 30 1 . . . . . . 5.000 30.00 parsed_1pqr 2 31 1 . . . . . . 5.000 30.00 parsed_1pqr 2 32 1 . . . . . . 5.000 30.00 parsed_1pqr 2 33 1 . . . . . . 5.000 30.00 parsed_1pqr 2 34 1 . . . . . . 2.500 4.000 parsed_1pqr 2 35 1 . . . . . . 1.800 7.000 parsed_1pqr 2 36 1 . . . . . . 1.800 5.000 parsed_1pqr 2 37 1 . . . . . . 1.800 4.125 parsed_1pqr 2 38 1 . . . . . . 1.800 3.044 parsed_1pqr 2 39 1 . . . . . . 1.800 3.122 parsed_1pqr 2 40 1 . . . . . . 1.800 3.129 parsed_1pqr 2 41 1 . . . . . . 1.800 3.613 parsed_1pqr 2 42 1 . . . . . . 1.800 3.800 parsed_1pqr 2 43 1 . . . . . . 1.800 5.104 parsed_1pqr 2 44 1 . . . . . . 1.800 3.125 parsed_1pqr 2 45 1 . . . . . . 1.800 2.911 parsed_1pqr 2 46 1 . . . . . . 1.800 5.007 parsed_1pqr 2 47 1 . . . . . . 1.800 2.913 parsed_1pqr 2 48 1 . . . . . . 1.800 3.138 parsed_1pqr 2 49 1 . . . . . . 5.000 30.00 parsed_1pqr 2 50 1 . . . . . . 5.000 30.00 parsed_1pqr 2 51 1 . . . . . . 5.000 30.00 parsed_1pqr 2 52 1 . . . . . . 5.000 30.00 parsed_1pqr 2 53 1 . . . . . . 5.000 30.00 parsed_1pqr 2 54 1 . . . . . . 5.000 30.00 parsed_1pqr 2 55 1 . . . . . . 5.000 30.00 parsed_1pqr 2 56 1 . . . . . . 5.000 30.00 parsed_1pqr 2 57 1 . . . . . . 5.000 30.00 parsed_1pqr 2 58 1 . . . . . . 5.000 30.00 parsed_1pqr 2 59 1 . . . . . . 5.000 30.00 parsed_1pqr 2 60 1 . . . . . . 5.000 30.00 parsed_1pqr 2 61 1 . . . . . . 1.800 4.505 parsed_1pqr 2 62 1 . . . . . . 1.800 3.661 parsed_1pqr 2 63 1 . . . . . . 1.800 3.144 parsed_1pqr 2 64 1 . . . . . . 1.800 6.724 parsed_1pqr 2 65 1 . . . . . . 1.800 4.073 parsed_1pqr 2 66 1 . . . . . . 1.800 3.442 parsed_1pqr 2 67 1 . . . . . . 1.800 3.103 parsed_1pqr 2 68 1 . . . . . . 1.800 7.153 parsed_1pqr 2 69 1 . . . . . . 1.800 7.005 parsed_1pqr 2 70 1 . . . . . . 1.800 5.417 parsed_1pqr 2 71 1 . . . . . . 1.800 5.234 parsed_1pqr 2 72 1 . . . . . . 1.800 5.590 parsed_1pqr 2 73 1 . . . . . . 1.800 8.821 parsed_1pqr 2 74 1 . . . . . . 1.800 9.500 parsed_1pqr 2 75 1 . . . . . . 1.800 6.454 parsed_1pqr 2 76 1 . . . . . . 1.800 7.104 parsed_1pqr 2 77 1 . . . . . . 2.300 3.300 parsed_1pqr 2 78 1 . . . . . . 1.800 7.000 parsed_1pqr 2 79 1 . . . . . . 1.800 7.000 parsed_1pqr 2 80 1 . . . . . . 1.800 7.000 parsed_1pqr 2 81 1 . . . . . . 1.800 7.000 parsed_1pqr 2 82 1 . . . . . . 1.800 7.000 parsed_1pqr 2 83 1 . . . . . . 1.800 6.000 parsed_1pqr 2 84 1 . . . . . . 1.800 7.000 parsed_1pqr 2 85 1 . . . . . . 1.800 7.000 parsed_1pqr 2 86 1 . . . . . . 1.800 7.000 parsed_1pqr 2 87 1 . . . . . . 1.800 2.886 parsed_1pqr 2 88 1 . . . . . . 1.800 5.058 parsed_1pqr 2 89 1 . . . . . . 1.800 4.427 parsed_1pqr 2 90 1 . . . . . . 1.800 3.141 parsed_1pqr 2 91 1 . . . . . . 1.800 2.895 parsed_1pqr 2 92 1 . . . . . . 1.800 4.221 parsed_1pqr 2 93 1 . . . . . . 1.800 4.771 parsed_1pqr 2 94 1 . . . . . . 1.800 2.833 parsed_1pqr 2 95 1 . . . . . . 1.800 4.546 parsed_1pqr 2 96 1 . . . . . . 1.800 6.838 parsed_1pqr 2 97 1 . . . . . . 1.800 4.362 parsed_1pqr 2 98 1 . . . . . . 1.800 5.000 parsed_1pqr 2 99 1 . . . . . . 2.500 3.600 parsed_1pqr 2 100 1 . . . . . . 1.800 5.000 parsed_1pqr 2 101 1 . . . . . . 1.800 3.386 parsed_1pqr 2 102 1 . . . . . . 1.800 3.150 parsed_1pqr 2 103 1 . . . . . . 1.800 4.493 parsed_1pqr 2 104 1 . . . . . . 1.800 4.779 parsed_1pqr 2 105 1 . . . . . . 1.800 4.034 parsed_1pqr 2 106 1 . . . . . . 1.800 5.000 parsed_1pqr 2 107 1 . . . . . . 2.500 4.000 parsed_1pqr 2 108 1 . . . . . . 2.400 3.336 parsed_1pqr 2 109 1 . . . . . . 1.800 4.328 parsed_1pqr 2 110 1 . . . . . . 2.500 3.566 parsed_1pqr 2 111 1 . . . . . . 1.800 4.873 parsed_1pqr 2 112 1 . . . . . . 1.800 2.978 parsed_1pqr 2 113 1 . . . . . . 1.800 4.017 parsed_1pqr 2 114 1 . . . . . . 1.800 3.439 parsed_1pqr 2 115 1 . . . . . . 1.800 5.516 parsed_1pqr 2 116 1 . . . . . . 1.800 4.537 parsed_1pqr 2 117 1 . . . . . . 1.800 3.587 parsed_1pqr 2 118 1 . . . . . . 1.800 2.960 parsed_1pqr 2 119 1 . . . . . . 1.800 2.825 parsed_1pqr 2 120 1 . . . . . . 1.800 2.979 parsed_1pqr 2 121 1 . . . . . . 1.800 2.933 parsed_1pqr 2 122 1 . . . . . . 1.800 5.000 parsed_1pqr 2 123 1 . . . . . . 1.800 5.000 parsed_1pqr 2 124 1 . . . . . . 1.800 2.472 parsed_1pqr 2 125 1 . . . . . . 1.800 4.464 parsed_1pqr 2 126 1 . . . . . . 1.800 5.128 parsed_1pqr 2 127 1 . . . . . . 1.800 5.362 parsed_1pqr 2 128 1 . . . . . . 1.800 3.817 parsed_1pqr 2 129 1 . . . . . . 1.800 3.566 parsed_1pqr 2 130 1 . . . . . . 1.800 3.142 parsed_1pqr 2 131 1 . . . . . . 1.800 4.877 parsed_1pqr 2 132 1 . . . . . . 1.800 2.978 parsed_1pqr 2 133 1 . . . . . . 1.800 3.294 parsed_1pqr 2 134 1 . . . . . . 1.800 2.771 parsed_1pqr 2 135 1 . . . . . . 1.800 2.968 parsed_1pqr 2 136 1 . . . . . . 1.800 4.714 parsed_1pqr 2 137 1 . . . . . . 1.800 4.837 parsed_1pqr 2 138 1 . . . . . . 1.800 4.232 parsed_1pqr 2 139 1 . . . . . . 1.800 5.000 parsed_1pqr 2 140 1 . . . . . . 1.800 5.000 parsed_1pqr 2 141 1 . . . . . . 1.800 2.968 parsed_1pqr 2 142 1 . . . . . . 1.800 3.218 parsed_1pqr 2 143 1 . . . . . . 1.800 3.711 parsed_1pqr 2 144 1 . . . . . . 1.800 3.196 parsed_1pqr 2 145 1 . . . . . . 1.800 3.350 parsed_1pqr 2 146 1 . . . . . . 1.800 2.944 parsed_1pqr 2 147 1 . . . . . . 1.800 3.111 parsed_1pqr 2 148 1 . . . . . . 1.800 4.774 parsed_1pqr 2 149 1 . . . . . . 1.800 4.116 parsed_1pqr 2 150 1 . . . . . . 2.500 4.672 parsed_1pqr 2 151 1 . . . . . . 1.800 3.533 parsed_1pqr 2 152 1 . . . . . . 1.800 4.353 parsed_1pqr 2 153 1 . . . . . . 1.800 3.645 parsed_1pqr 2 154 1 . . . . . . 1.800 3.242 parsed_1pqr 2 155 1 . . . . . . 1.800 2.642 parsed_1pqr 2 156 1 . . . . . . 1.800 3.296 parsed_1pqr 2 157 1 . . . . . . 2.500 5.000 parsed_1pqr 2 158 1 . . . . . . 1.800 5.000 parsed_1pqr 2 159 1 . . . . . . 1.800 5.000 parsed_1pqr 2 160 1 . . . . . . 1.800 5.000 parsed_1pqr 2 161 1 . . . . . . 1.800 5.000 parsed_1pqr 2 162 1 . . . . . . 1.800 6.000 parsed_1pqr 2 163 1 . . . . . . 1.800 4.915 parsed_1pqr 2 164 1 . . . . . . 1.800 4.596 parsed_1pqr 2 165 1 . . . . . . 1.800 3.126 parsed_1pqr 2 166 1 . . . . . . 1.800 4.067 parsed_1pqr 2 167 1 . . . . . . 1.800 4.239 parsed_1pqr 2 168 1 . . . . . . 2.300 3.755 parsed_1pqr 2 169 1 . . . . . . 2.300 3.625 parsed_1pqr 2 170 1 . . . . . . 1.800 3.600 parsed_1pqr 2 171 1 . . . . . . 1.800 3.300 parsed_1pqr 2 172 1 . . . . . . 1.800 5.000 parsed_1pqr 2 173 1 . . . . . . 1.800 2.919 parsed_1pqr 2 174 1 . . . . . . 2.500 4.107 parsed_1pqr 2 175 1 . . . . . . 2.500 4.048 parsed_1pqr 2 176 1 . . . . . . 1.800 3.211 parsed_1pqr 2 177 1 . . . . . . 1.800 4.717 parsed_1pqr 2 178 1 . . . . . . 1.800 4.568 parsed_1pqr 2 179 1 . . . . . . 1.800 4.244 parsed_1pqr 2 180 1 . . . . . . 1.800 3.500 parsed_1pqr 2 181 1 . . . . . . 1.800 5.000 parsed_1pqr 2 182 1 . . . . . . 1.800 5.000 parsed_1pqr 2 183 1 . . . . . . 1.800 3.054 parsed_1pqr 2 184 1 . . . . . . 1.800 3.452 parsed_1pqr 2 185 1 . . . . . . 1.800 3.247 parsed_1pqr 2 186 1 . . . . . . 1.800 3.036 parsed_1pqr 2 187 1 . . . . . . 1.800 4.308 parsed_1pqr 2 188 1 . . . . . . 1.800 3.079 parsed_1pqr 2 189 1 . . . . . . 1.800 2.834 parsed_1pqr 2 190 1 . . . . . . 1.800 2.872 parsed_1pqr 2 191 1 . . . . . . 1.800 3.536 parsed_1pqr 2 192 1 . . . . . . 1.800 3.600 parsed_1pqr 2 193 1 . . . . . . 1.800 5.000 parsed_1pqr 2 194 1 . . . . . . 1.800 3.543 parsed_1pqr 2 195 1 . . . . . . 1.800 3.687 parsed_1pqr 2 196 1 . . . . . . 2.307 3.307 parsed_1pqr 2 197 1 . . . . . . 1.800 2.981 parsed_1pqr 2 198 1 . . . . . . 1.800 3.224 parsed_1pqr 2 199 1 . . . . . . 1.800 2.848 parsed_1pqr 2 200 1 . . . . . . 1.800 5.182 parsed_1pqr 2 201 1 . . . . . . 1.800 3.138 parsed_1pqr 2 202 1 . . . . . . 1.800 4.536 parsed_1pqr 2 203 1 . . . . . . 1.800 4.309 parsed_1pqr 2 204 1 . . . . . . 1.800 3.125 parsed_1pqr 2 205 1 . . . . . . 1.800 3.500 parsed_1pqr 2 206 1 . . . . . . 1.800 3.500 parsed_1pqr 2 207 1 . . . . . . 1.800 2.642 parsed_1pqr 2 208 1 . . . . . . 1.800 3.885 parsed_1pqr 2 209 1 . . . . . . 1.800 7.356 parsed_1pqr 2 210 1 . . . . . . 1.800 3.382 parsed_1pqr 2 211 1 . . . . . . 1.800 2.986 parsed_1pqr 2 212 1 . . . . . . 1.800 3.206 parsed_1pqr 2 213 1 . . . . . . 1.800 3.527 parsed_1pqr 2 214 1 . . . . . . 1.800 3.527 parsed_1pqr 2 215 1 . . . . . . 1.800 3.594 parsed_1pqr 2 216 1 . . . . . . 1.800 2.903 parsed_1pqr 2 217 1 . . . . . . 1.800 3.102 parsed_1pqr 2 218 1 . . . . . . 1.800 2.428 parsed_1pqr 2 219 1 . . . . . . 1.800 2.338 parsed_1pqr 2 220 1 . . . . . . 1.800 3.465 parsed_1pqr 2 221 1 . . . . . . 1.800 3.225 parsed_1pqr 2 222 1 . . . . . . 1.800 3.104 parsed_1pqr 2 223 1 . . . . . . 1.800 3.025 parsed_1pqr 2 224 1 . . . . . . 1.800 3.287 parsed_1pqr 2 225 1 . . . . . . 1.800 3.013 parsed_1pqr 2 226 1 . . . . . . 1.800 3.031 parsed_1pqr 2 227 1 . . . . . . 1.800 3.039 parsed_1pqr 2 228 1 . . . . . . 1.800 3.998 parsed_1pqr 2 229 1 . . . . . . 1.800 3.799 parsed_1pqr 2 230 1 . . . . . . 1.800 3.311 parsed_1pqr 2 231 1 . . . . . . 1.800 3.139 parsed_1pqr 2 232 1 . . . . . . 1.800 3.670 parsed_1pqr 2 233 1 . . . . . . 1.800 3.605 parsed_1pqr 2 234 1 . . . . . . 1.800 3.915 parsed_1pqr 2 235 1 . . . . . . 1.800 5.000 parsed_1pqr 2 236 1 . . . . . . 1.800 3.084 parsed_1pqr 2 237 1 . . . . . . 1.800 3.640 parsed_1pqr 2 238 1 . . . . . . 1.800 3.389 parsed_1pqr 2 239 1 . . . . . . 1.800 4.898 parsed_1pqr 2 240 1 . . . . . . 1.800 4.573 parsed_1pqr 2 241 1 . . . . . . 1.800 4.002 parsed_1pqr 2 242 1 . . . . . . 1.800 3.755 parsed_1pqr 2 243 1 . . . . . . 1.800 4.011 parsed_1pqr 2 244 1 . . . . . . 1.800 3.750 parsed_1pqr 2 245 1 . . . . . . 1.800 3.683 parsed_1pqr 2 246 1 . . . . . . 1.800 4.701 parsed_1pqr 2 247 1 . . . . . . 1.800 4.277 parsed_1pqr 2 248 1 . . . . . . 1.800 3.674 parsed_1pqr 2 249 1 . . . . . . 1.800 3.653 parsed_1pqr 2 250 1 . . . . . . 1.800 3.496 parsed_1pqr 2 251 1 . . . . . . 1.800 3.447 parsed_1pqr 2 252 1 . . . . . . 1.800 2.940 parsed_1pqr 2 253 1 . . . . . . 1.800 2.830 parsed_1pqr 2 254 1 . . . . . . 1.800 3.070 parsed_1pqr 2 255 1 . . . . . . 1.800 3.012 parsed_1pqr 2 256 1 . . . . . . 1.800 2.859 parsed_1pqr 2 257 1 . . . . . . 1.800 3.132 parsed_1pqr 2 258 1 . . . . . . 1.800 3.175 parsed_1pqr 2 259 1 . . . . . . 1.800 4.295 parsed_1pqr 2 260 1 . . . . . . 1.800 3.657 parsed_1pqr 2 261 1 . . . . . . 1.800 3.158 parsed_1pqr 2 262 1 . . . . . . 1.800 5.098 parsed_1pqr 2 263 1 . . . . . . 1.800 4.430 parsed_1pqr 2 264 1 . . . . . . 1.800 3.735 parsed_1pqr 2 265 1 . . . . . . 1.800 2.968 parsed_1pqr 2 266 1 . . . . . . 1.800 3.010 parsed_1pqr 2 267 1 . . . . . . 1.800 3.326 parsed_1pqr 2 268 1 . . . . . . 1.800 3.267 parsed_1pqr 2 269 1 . . . . . . 1.800 3.750 parsed_1pqr 2 270 1 . . . . . . 1.800 3.009 parsed_1pqr 2 271 1 . . . . . . 1.800 3.340 parsed_1pqr 2 272 1 . . . . . . 1.800 3.598 parsed_1pqr 2 273 1 . . . . . . 1.800 4.058 parsed_1pqr 2 274 1 . . . . . . 1.800 3.285 parsed_1pqr 2 275 1 . . . . . . 1.800 3.129 parsed_1pqr 2 276 1 . . . . . . 1.800 3.285 parsed_1pqr 2 277 1 . . . . . . 1.800 3.120 parsed_1pqr 2 278 1 . . . . . . 1.800 5.460 parsed_1pqr 2 279 1 . . . . . . 1.800 6.760 parsed_1pqr 2 280 1 . . . . . . 1.800 2.691 parsed_1pqr 2 281 1 . . . . . . 1.800 2.725 parsed_1pqr 2 282 1 . . . . . . 1.800 5.811 parsed_1pqr 2 283 1 . . . . . . 1.800 5.860 parsed_1pqr 2 284 1 . . . . . . 1.800 5.883 parsed_1pqr 2 285 1 . . . . . . 1.800 6.956 parsed_1pqr 2 286 1 . . . . . . 1.800 5.805 parsed_1pqr 2 287 1 . . . . . . 1.800 5.056 parsed_1pqr 2 288 1 . . . . . . 1.800 4.921 parsed_1pqr 2 289 1 . . . . . . 1.800 5.353 parsed_1pqr 2 290 1 . . . . . . 1.800 6.634 parsed_1pqr 2 291 1 . . . . . . 1.800 6.422 parsed_1pqr 2 292 1 . . . . . . 1.800 5.761 parsed_1pqr 2 293 1 . . . . . . 1.800 5.829 parsed_1pqr 2 294 1 . . . . . . 1.800 6.120 parsed_1pqr 2 295 1 . . . . . . 1.800 6.596 parsed_1pqr 2 296 1 . . . . . . 1.800 6.380 parsed_1pqr 2 297 1 . . . . . . 1.800 7.000 parsed_1pqr 2 298 1 . . . . . . 1.800 3.285 parsed_1pqr 2 299 1 . . . . . . 1.800 3.316 parsed_1pqr 2 300 1 . . . . . . 1.800 2.810 parsed_1pqr 2 301 1 . . . . . . 1.800 3.471 parsed_1pqr 2 302 1 . . . . . . 1.800 4.217 parsed_1pqr 2 303 1 . . . . . . 1.800 3.783 parsed_1pqr 2 304 1 . . . . . . 1.800 6.223 parsed_1pqr 2 305 1 . . . . . . 1.800 2.824 parsed_1pqr 2 306 1 . . . . . . 1.800 3.177 parsed_1pqr 2 307 1 . . . . . . 1.800 3.944 parsed_1pqr 2 308 1 . . . . . . 1.800 4.818 parsed_1pqr 2 309 1 . . . . . . 1.800 3.810 parsed_1pqr 2 310 1 . . . . . . 1.800 3.465 parsed_1pqr 2 311 1 . . . . . . 1.800 3.661 parsed_1pqr 2 312 1 . . . . . . 1.800 5.000 parsed_1pqr 2 313 1 . . . . . . 1.800 7.000 parsed_1pqr 2 314 1 . . . . . . 1.800 3.000 parsed_1pqr 2 315 1 . . . . . . 1.800 2.840 parsed_1pqr 2 316 1 . . . . . . 1.800 3.249 parsed_1pqr 2 317 1 . . . . . . 1.800 3.799 parsed_1pqr 2 318 1 . . . . . . 1.800 3.019 parsed_1pqr 2 319 1 . . . . . . 1.800 3.065 parsed_1pqr 2 320 1 . . . . . . 1.800 4.269 parsed_1pqr 2 321 1 . . . . . . 1.800 3.154 parsed_1pqr 2 322 1 . . . . . . 1.800 5.000 parsed_1pqr 2 323 1 . . . . . . 1.800 6.000 parsed_1pqr 2 324 1 . . . . . . 1.800 3.500 parsed_1pqr 2 325 1 . . . . . . 1.800 2.865 parsed_1pqr 2 326 1 . . . . . . 1.800 2.976 parsed_1pqr 2 327 1 . . . . . . 1.800 4.468 parsed_1pqr 2 328 1 . . . . . . 1.800 3.901 parsed_1pqr 2 329 1 . . . . . . 1.800 3.569 parsed_1pqr 2 330 1 . . . . . . 1.800 3.427 parsed_1pqr 2 331 1 . . . . . . 1.800 3.437 parsed_1pqr 2 332 1 . . . . . . 1.800 4.686 parsed_1pqr 2 333 1 . . . . . . 1.800 3.463 parsed_1pqr 2 334 1 . . . . . . 1.800 5.021 parsed_1pqr 2 335 1 . . . . . . 1.800 3.163 parsed_1pqr 2 336 1 . . . . . . 1.800 3.203 parsed_1pqr 2 337 1 . . . . . . 1.800 4.640 parsed_1pqr 2 338 1 . . . . . . 1.800 4.766 parsed_1pqr 2 339 1 . . . . . . 1.800 5.000 parsed_1pqr 2 340 1 . . . . . . 1.800 5.825 parsed_1pqr 2 341 1 . . . . . . 1.800 3.499 parsed_1pqr 2 342 1 . . . . . . 1.800 3.224 parsed_1pqr 2 343 1 . . . . . . 1.800 2.764 parsed_1pqr 2 344 1 . . . . . . 1.800 2.820 parsed_1pqr 2 345 1 . . . . . . 1.800 3.171 parsed_1pqr 2 346 1 . . . . . . 1.800 3.067 parsed_1pqr 2 347 1 . . . . . . 1.800 6.000 parsed_1pqr 2 348 1 . . . . . . 1.800 4.514 parsed_1pqr 2 349 1 . . . . . . 1.800 3.291 parsed_1pqr 2 350 1 . . . . . . 1.800 4.498 parsed_1pqr 2 351 1 . . . . . . 1.800 2.833 parsed_1pqr 2 352 1 . . . . . . 1.800 4.587 parsed_1pqr 2 353 1 . . . . . . 2.500 3.750 parsed_1pqr 2 354 1 . . . . . . 1.800 4.835 parsed_1pqr 2 355 1 . . . . . . 1.800 5.000 parsed_1pqr 2 356 1 . . . . . . 1.800 5.000 parsed_1pqr 2 357 1 . . . . . . 1.800 5.000 parsed_1pqr 2 stop_ save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1pqr _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; #mixing_times 2.000000E-02 ! ; save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1pqr _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 2 CYS C 1 3 CYS N 1 3 CYS CA 1 3 CYS C parsed_1pqr 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 5 PRO C 1 6 TYR N 1 6 TYR CA 1 6 TYR C parsed_1pqr 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 8 ASN C 1 9 ALA N 1 9 ALA CA 1 9 ALA C parsed_1pqr 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 11 CYS C 1 12 HIS+ N 1 12 HIS+ CA 1 12 HIS+ C parsed_1pqr 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 15 GLY C 1 16 CYS N 1 16 CYS CA 1 16 CYS C parsed_1pqr 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 17 LYS+ C 1 18 VAL N 1 18 VAL CA 1 18 VAL C parsed_1pqr 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 22 PRO C 1 23 TYR N 1 23 TYR CA 1 23 TYR C parsed_1pqr 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 23 TYR C 1 24 CYS N 1 24 CYS CA 1 24 CYS C parsed_1pqr 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 24 CYS C 1 25 ASP N 1 25 ASP CA 1 25 ASP C parsed_1pqr 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -60.000 . 1 1 GLYn C 1 2 CYS N 1 2 CYS CA 1 2 CYS C parsed_1pqr 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -60.000 . 1 7 PRO C 1 8 ASN N 1 8 ASN CA 1 8 ASN C parsed_1pqr 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 23 TYR N 1 23 TYR CA 1 23 TYR CB 1 23 TYR CG parsed_1pqr 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 3 CYS N 1 3 CYS CA 1 3 CYS CB 1 3 CYS SG parsed_1pqr 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 6 TYR N 1 6 TYR CA 1 6 TYR CB 1 6 TYR CG parsed_1pqr 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 12 HIS+ N 1 12 HIS+ CA 1 12 HIS+ CB 1 12 HIS+ CG parsed_1pqr 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 24 CYS N 1 24 CYS CA 1 24 CYS CB 1 24 CYS SG parsed_1pqr 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 25 ASP N 1 25 ASP CA 1 25 ASP CB 1 25 ASP CG parsed_1pqr 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 CYS N 1 2 CYS CA 1 2 CYS CB 1 2 CYS SG parsed_1pqr 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG parsed_1pqr 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 14 CYS N 1 14 CYS CA 1 14 CYS CB 1 14 CYS SG parsed_1pqr 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG parsed_1pqr 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 15 GLY CA 1 15 GLY C 1 16 CYS N 1 16 CYS CA parsed_1pqr 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 NMR_dihedral 1 1 1 13 parsed_1pqr 1 2 "Chi angle" 13 1 13 10 parsed_1pqr 1 3 "Omega angle" 24 1 24 12 parsed_1pqr 1 stop_ save_
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