NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
645535 | 6kr8 | 36284 | cing | 2-parsed | STAR | entry | full | 35 |
data_6kr8_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6kr8 _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_6kr8 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6kr8 _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 6kr8 "Master copy" parsed_6kr8 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6kr8 _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 6kr8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6kr8 1 1 6kr8.mr . . XPLOR/CNS 2 distance "general distance" simple 35 parsed_6kr8 1 1 6kr8.mr . . XPLOR/CNS 3 distance PRE "Not applicable" 0 parsed_6kr8 1 1 6kr8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6kr8 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_6kr8 _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 MEMBRANE PROTEIN 21-AUG-19 6KR8 *TITLE STRUCTURE OF THE BETA2 ADRENERGIC RECEPTOR IN THE FULL AGONIST BOUND *TITLE 2 STATE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BETA 2 ADRENERGIC RECEPTOR; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_TAXID: 9606; *SOURCE 4 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; *SOURCE 5 EXPRESSION_SYSTEM_TAXID: 7108 *KEYWDS G-PROTEIN COUPLED RECEPTOR, B2AR, FULL AGONIST, MEMBRANE PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR S.IMAI,I.SHIMADA *REVDAT 1 29-JAN-20 6KR8 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6kr8 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _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_6kr8 1 2 1 . . . parsed_6kr8 1 3 1 . . . parsed_6kr8 1 4 1 . . . parsed_6kr8 1 5 1 . . . parsed_6kr8 1 6 1 . . . parsed_6kr8 1 7 1 . . . parsed_6kr8 1 8 1 . . . parsed_6kr8 1 9 1 . . . parsed_6kr8 1 10 1 . . . parsed_6kr8 1 11 1 . . . parsed_6kr8 1 12 1 . . . parsed_6kr8 1 13 1 . . . parsed_6kr8 1 14 1 . . . parsed_6kr8 1 15 1 . . . parsed_6kr8 1 16 1 . . . parsed_6kr8 1 17 1 . . . parsed_6kr8 1 18 1 . . . parsed_6kr8 1 19 1 . . . parsed_6kr8 1 20 1 . . . parsed_6kr8 1 21 1 . . . parsed_6kr8 1 22 1 . . . parsed_6kr8 1 23 1 . . . parsed_6kr8 1 24 1 . . . parsed_6kr8 1 25 1 . . . parsed_6kr8 1 26 1 . . . parsed_6kr8 1 27 1 . . . parsed_6kr8 1 28 1 . . . parsed_6kr8 1 29 1 . . . parsed_6kr8 1 30 1 . . . parsed_6kr8 1 31 1 . . . parsed_6kr8 1 32 1 . . . parsed_6kr8 1 33 1 . . . parsed_6kr8 1 34 1 . . . parsed_6kr8 1 35 1 . . . parsed_6kr8 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 . . . . . . . . . 144 . HN parsed_6kr8 1 1 1 2 . . . . . . . . ZA00 136 . OS1 parsed_6kr8 1 2 1 1 . . . . . . . . . 145 . HN parsed_6kr8 1 2 1 2 . . . . . . . . ZA00 136 . OS1 parsed_6kr8 1 3 1 1 . . . . . . . . . 230 . HN parsed_6kr8 1 3 1 2 . . . . . . . . ZA01 136 . OS1 parsed_6kr8 1 4 1 1 . . . . . . . . . 266 . HN parsed_6kr8 1 4 1 2 . . . . . . . . ZA02 136 . OS1 parsed_6kr8 1 5 1 1 . . . . . . . . . 230 . HN parsed_6kr8 1 5 1 2 . . . . . . . . ZA00 266 . OS1 parsed_6kr8 1 6 1 1 . . . . . . . . . 53 . HN parsed_6kr8 1 6 1 2 . . . . . . . . ZA00 334 . OS1 parsed_6kr8 1 7 1 1 . . . . . . . . . 53 . HN parsed_6kr8 1 7 1 2 . . . . . . . . ZA01 334 . OS1 parsed_6kr8 1 8 1 1 . . . . . . . . . 64 . HN parsed_6kr8 1 8 1 2 . . . . . . . . ZA04 334 . OS1 parsed_6kr8 1 9 1 1 . . . . . . . . ZA02 266 . HN parsed_6kr8 1 9 1 2 . . . . . . . . ZA02 334 . OS1 parsed_6kr8 1 10 1 1 . . . . . . . . . 340 . HN parsed_6kr8 1 10 1 2 . . . . . . . . ZA03 334 . OS1 parsed_6kr8 1 11 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 11 1 2 . . . . . . . . . 238 . CA parsed_6kr8 1 12 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 12 1 2 . . . . . . . . . 239 . CA parsed_6kr8 1 13 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 13 1 2 . . . . . . . . . 240 . CA parsed_6kr8 1 14 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 14 1 2 . . . . . . . . . 241 . CA parsed_6kr8 1 15 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 15 1 2 . . . . . . . . . 242 . CA parsed_6kr8 1 16 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 16 1 2 . . . . . . . . . 243 . CA parsed_6kr8 1 17 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 17 1 2 . . . . . . . . . 244 . CA parsed_6kr8 1 18 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 18 1 2 . . . . . . . . . 250 . CA parsed_6kr8 1 19 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 19 1 2 . . . . . . . . . 246 . CA parsed_6kr8 1 20 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 20 1 2 . . . . . . . . . 247 . CA parsed_6kr8 1 21 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 21 1 2 . . . . . . . . . 248 . CA parsed_6kr8 1 22 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 22 1 2 . . . . . . . . . 249 . CA parsed_6kr8 1 23 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 23 1 2 . . . . . . . . . 250 . CA parsed_6kr8 1 24 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 24 1 2 . . . . . . . . . 251 . CA parsed_6kr8 1 25 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 25 1 2 . . . . . . . . . 252 . CA parsed_6kr8 1 26 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 26 1 2 . . . . . . . . . 253 . CA parsed_6kr8 1 27 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 27 1 2 . . . . . . . . . 254 . CA parsed_6kr8 1 28 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 28 1 2 . . . . . . . . . 255 . CA parsed_6kr8 1 29 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 29 1 2 . . . . . . . . . 256 . CA parsed_6kr8 1 30 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 30 1 2 . . . . . . . . . 257 . CA parsed_6kr8 1 31 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 31 1 2 . . . . . . . . . 258 . CA parsed_6kr8 1 32 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 32 1 2 . . . . . . . . . 259 . CA parsed_6kr8 1 33 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 33 1 2 . . . . . . . . . 250 . CA parsed_6kr8 1 34 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 34 1 2 . . . . . . . . . 261 . CA parsed_6kr8 1 35 1 1 . . . . . . . . . 185 . OH parsed_6kr8 1 35 1 2 . . . . . . . . . 262 . CA parsed_6kr8 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 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 2 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 3 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 4 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 5 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 6 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 7 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 8 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 9 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 10 1 . . . . . 6.0 2.0 10.0 parsed_6kr8 1 11 1 . . . . . 50 50 80 parsed_6kr8 1 12 1 . . . . . 50 50 80 parsed_6kr8 1 13 1 . . . . . 50 50 80 parsed_6kr8 1 14 1 . . . . . 50 50 80 parsed_6kr8 1 15 1 . . . . . 50 50 80 parsed_6kr8 1 16 1 . . . . . 50 50 80 parsed_6kr8 1 17 1 . . . . . 50 50 80 parsed_6kr8 1 18 1 . . . . . 50 50 80 parsed_6kr8 1 19 1 . . . . . 50 50 80 parsed_6kr8 1 20 1 . . . . . 50 50 80 parsed_6kr8 1 21 1 . . . . . 50 50 80 parsed_6kr8 1 22 1 . . . . . 50 50 80 parsed_6kr8 1 23 1 . . . . . 50 50 80 parsed_6kr8 1 24 1 . . . . . 50 50 80 parsed_6kr8 1 25 1 . . . . . 50 50 80 parsed_6kr8 1 26 1 . . . . . 50 50 80 parsed_6kr8 1 27 1 . . . . . 50 50 80 parsed_6kr8 1 28 1 . . . . . 50 50 80 parsed_6kr8 1 29 1 . . . . . 50 50 80 parsed_6kr8 1 30 1 . . . . . 50 50 80 parsed_6kr8 1 31 1 . . . . . 50 50 80 parsed_6kr8 1 32 1 . . . . . 50 50 80 parsed_6kr8 1 33 1 . . . . . 50 50 80 parsed_6kr8 1 34 1 . . . . . 50 50 80 parsed_6kr8 1 35 1 . . . . . 50 50 80 parsed_6kr8 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 ; !!!! A59C !!!!!! !!!! T136C !!!!!! ; 2 1 4 19 parsed_6kr8 1 2 ; !!!! N148C !!!!!! !!!! L266C !!!!!! ; 10 1 13 19 parsed_6kr8 1 3 "!!!! I334C !!!!!!" 17 1 17 19 parsed_6kr8 1 4 "!!!!!! To keep the linker out of the membrane region !!!!!!!!!" 26 1 26 65 parsed_6kr8 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: Fm_noe2.tbl" 1 1 1 32 parsed_6kr8 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6kr8 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type PRE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" 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 "assign (resid 340 and name HN) (resid 334 and name OS1) 100 10 ! To noe" 113 1 113 85 parsed_6kr8 2 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 2: Fm_pre.tbl" 1 1 1 31 parsed_6kr8 2 2 ; assign (resid 42 and name HN) (resid 59 and name OS1) 0 1.00 ! error = 0.43 assign (resid 45 and name HN) (resid 59 and name OS1) 0 1.00 ! error = 0.86 ; 5 2 6 2 parsed_6kr8 2 3 ; assign (resid 45 and name HN) (resid 59 and name OS1) 0 1.00 ! error = 0.86 assign (resid 53 and name HN) (resid 59 and name OS1) 41.39 7.45 ; 6 2 7 2 parsed_6kr8 2 4 ; assign (resid 53 and name HN) (resid 59 and name OS1) 41.39 7.45 assign (resid 64 and name HN) (resid 59 and name OS1) 30.79 6.66 ; 7 2 8 2 parsed_6kr8 2 5 ; assign (resid 64 and name HN) (resid 59 and name OS1) 30.79 6.66 assign (resid 80 and name HN) (resid 59 and name OS1) 32.56 7.63 ; 8 2 9 2 parsed_6kr8 2 6 ; assign (resid 80 and name HN) (resid 59 and name OS1) 32.56 7.63 assign (resid 84 and name HN) (resid 59 and name OS1) 7.44 1.60 ; 9 2 10 2 parsed_6kr8 2 7 ; assign (resid 84 and name HN) (resid 59 and name OS1) 7.44 1.60 assign (resid 115 and name HN) (resid 59 and name OS1) 0.00 1.41 ; 10 2 11 2 parsed_6kr8 2 8 ; assign (resid 115 and name HN) (resid 59 and name OS1) 0.00 1.41 assign (resid 144 and name HN) (resid 59 and name OS1) 1.84 1.00 ! error = 0.36 ; 11 2 12 2 parsed_6kr8 2 9 ; assign (resid 144 and name HN) (resid 59 and name OS1) 1.84 1.00 ! error = 0.36 assign (resid 145 and name HN) (resid 59 and name OS1) 22.93 4.16 ; 12 2 13 2 parsed_6kr8 2 10 ; assign (resid 145 and name HN) (resid 59 and name OS1) 22.93 4.16 assign (resid 155 and name HN) (resid 59 and name OS1) 50.09 8.12 ; 13 2 14 2 parsed_6kr8 2 11 ; assign (resid 155 and name HN) (resid 59 and name OS1) 50.09 8.12 assign (resid 163 and name HN) (resid 59 and name OS1) 6.65 1.36 ; 14 2 15 2 parsed_6kr8 2 12 ; assign (resid 163 and name HN) (resid 59 and name OS1) 6.65 1.36 assign (resid 167 and name HN) (resid 59 and name OS1) 0 2.65 ; 15 2 16 2 parsed_6kr8 2 13 ; assign (resid 167 and name HN) (resid 59 and name OS1) 0 2.65 assign (resid 212 and name HN) (resid 59 and name OS1) 0 4.73 ; 16 2 17 2 parsed_6kr8 2 14 ; assign (resid 212 and name HN) (resid 59 and name OS1) 0 4.73 assign (resid 230 and name HN) (resid 59 and name OS1) 0 2.20 ; 17 2 18 2 parsed_6kr8 2 15 ; assign (resid 230 and name HN) (resid 59 and name OS1) 0 2.20 assign (resid 266 and name HN) (resid 59 and name OS1) 8.29 1.38 ; 18 2 19 2 parsed_6kr8 2 16 ; assign (resid 266 and name HN) (resid 59 and name OS1) 8.29 1.38 assign (resid 287 and name HN) (resid 59 and name OS1) 0.97 1.00 ! error = 0.16 ; 19 2 20 2 parsed_6kr8 2 17 ; assign (resid 287 and name HN) (resid 59 and name OS1) 0.97 1.00 ! error = 0.16 assign (resid 311 and name HN) (resid 59 and name OS1) 0 1.35 ; 20 2 21 2 parsed_6kr8 2 18 ; assign (resid 311 and name HN) (resid 59 and name OS1) 0 1.35 assign (resid 340 and name HN) (resid 59 and name OS1) 9.31 1.52 ; 21 2 22 2 parsed_6kr8 2 19 ; assign (resid 340 and name HN) (resid 59 and name OS1) 9.31 1.52 !!!! T136C !!!!! ! Leu residue MTSL Gamma2 error assign (resid 42 and name HN) (resid 136 and name OS1) 3.58 1.32 ; 22 2 28 2 parsed_6kr8 2 20 ; assign (resid 42 and name HN) (resid 136 and name OS1) 3.58 1.32 assign (resid 45 and name HN) (resid 136 and name OS1) 17.22 5.06 ; 28 2 29 2 parsed_6kr8 2 21 ; assign (resid 45 and name HN) (resid 136 and name OS1) 17.22 5.06 assign (resid 53 and name HN) (resid 136 and name OS1) 28.74 9.23 ; 29 2 30 2 parsed_6kr8 2 22 ; assign (resid 53 and name HN) (resid 136 and name OS1) 28.74 9.23 assign (resid 64 and name HN) (resid 136 and name OS1) 48.85 26.81 ; 30 2 31 2 parsed_6kr8 2 23 ; assign (resid 64 and name HN) (resid 136 and name OS1) 48.85 26.81 assign (resid 80 and name HN) (resid 136 and name OS1) 9.27 2.83 ; 31 2 32 2 parsed_6kr8 2 24 ; assign (resid 80 and name HN) (resid 136 and name OS1) 9.27 2.83 assign (resid 84 and name HN) (resid 136 and name OS1) 5.20 1.68 ; 32 2 33 2 parsed_6kr8 2 25 ; assign (resid 84 and name HN) (resid 136 and name OS1) 5.20 1.68 assign (resid 115 and name HN) (resid 136 and name OS1) 14.57 4.20 ! error = 0.92 ; 33 2 34 2 parsed_6kr8 2 26 ; assign (resid 115 and name HN) (resid 136 and name OS1) 14.57 4.20 ! error = 0.92 !assign (resid 144 and name HN) (resid 136 and name OS1) 80 10 ! To noe !assign (resid 145 and name HN) (resid 136 and name OS1) 80 10 ! To noe assign (resid 155 and name HN) (resid 136 and name OS1) 14.20 4.24 ; 34 2 37 2 parsed_6kr8 2 27 ; assign (resid 155 and name HN) (resid 136 and name OS1) 14.20 4.24 assign (resid 163 and name HN) (resid 136 and name OS1) 19.92 6.47 ; 37 2 38 2 parsed_6kr8 2 28 ; assign (resid 163 and name HN) (resid 136 and name OS1) 19.92 6.47 assign (resid 167 and name HN) (resid 136 and name OS1) 0 5.66 ; 38 2 39 2 parsed_6kr8 2 29 ; assign (resid 167 and name HN) (resid 136 and name OS1) 0 5.66 !assign (resid 212 and name HN) (resid 136 and name OS1) 0 10 ! Not available !assign (resid 230 and name HN) (resid 136 and name OS1) 80 10 ! To noe !assign (resid 266 and name HN) (resid 136 and name OS1) 80 10 ! To noe assign (resid 287 and name HN) (resid 136 and name OS1) 7.31 1.58 ; 39 2 43 2 parsed_6kr8 2 30 ; assign (resid 287 and name HN) (resid 136 and name OS1) 7.31 1.58 assign (resid 311 and name HN) (resid 136 and name OS1) 15.58 6.07 ; 43 2 44 2 parsed_6kr8 2 31 ; assign (resid 311 and name HN) (resid 136 and name OS1) 15.58 6.07 assign (resid 340 and name HN) (resid 136 and name OS1) 21.10 5.63 ; 44 2 45 2 parsed_6kr8 2 32 ; assign (resid 340 and name HN) (resid 136 and name OS1) 21.10 5.63 !!!! N148C !!!!! ! Leu residue MTSL Gamma2 error assign (resid 42 and name HN) (resid 148 and name OS1) 3.67 1 ! error = 0.75 ; 45 2 50 2 parsed_6kr8 2 33 ; assign (resid 42 and name HN) (resid 148 and name OS1) 3.67 1 ! error = 0.75 assign (resid 45 and name HN) (resid 148 and name OS1) 0 1.01 ; 50 2 51 2 parsed_6kr8 2 34 ; assign (resid 45 and name HN) (resid 148 and name OS1) 0 1.01 assign (resid 53 and name HN) (resid 148 and name OS1) 11.80 2.52 ; 51 2 52 2 parsed_6kr8 2 35 ; assign (resid 53 and name HN) (resid 148 and name OS1) 11.80 2.52 assign (resid 64 and name HN) (resid 148 and name OS1) 32.74 8.14 ; 52 2 53 2 parsed_6kr8 2 36 ; assign (resid 64 and name HN) (resid 148 and name OS1) 32.74 8.14 assign (resid 80 and name HN) (resid 148 and name OS1) 0.64 1.00 ! error = 0.16 ; 53 2 54 2 parsed_6kr8 2 37 ; assign (resid 80 and name HN) (resid 148 and name OS1) 0.64 1.00 ! error = 0.16 assign (resid 84 and name HN) (resid 148 and name OS1) 0 2.70 ; 54 2 55 2 parsed_6kr8 2 38 ; assign (resid 84 and name HN) (resid 148 and name OS1) 0 2.70 assign (resid 115 and name HN) (resid 148 and name OS1) 0 1.09 ; 55 2 56 2 parsed_6kr8 2 39 ; assign (resid 115 and name HN) (resid 148 and name OS1) 0 1.09 assign (resid 144 and name HN) (resid 148 and name OS1) 59.31 16.68 ; 56 2 57 2 parsed_6kr8 2 40 ; assign (resid 144 and name HN) (resid 148 and name OS1) 59.31 16.68 assign (resid 145 and name HN) (resid 148 and name OS1) 78.90 18.51 ; 57 2 58 2 parsed_6kr8 2 41 ; assign (resid 145 and name HN) (resid 148 and name OS1) 78.90 18.51 assign (resid 155 and name HN) (resid 148 and name OS1) 72.48 18.77 ; 58 2 59 2 parsed_6kr8 2 42 ; assign (resid 155 and name HN) (resid 148 and name OS1) 72.48 18.77 assign (resid 163 and name HN) (resid 148 and name OS1) 22.23 6.35 ; 59 2 60 2 parsed_6kr8 2 43 ; assign (resid 163 and name HN) (resid 148 and name OS1) 22.23 6.35 assign (resid 167 and name HN) (resid 148 and name OS1) 2.33 1.00 ! error = 0.73 ; 60 2 61 2 parsed_6kr8 2 44 ; assign (resid 167 and name HN) (resid 148 and name OS1) 2.33 1.00 ! error = 0.73 assign (resid 212 and name HN) (resid 148 and name OS1) 2.46 1.04 ; 61 2 62 2 parsed_6kr8 2 45 ; assign (resid 212 and name HN) (resid 148 and name OS1) 2.46 1.04 assign (resid 230 and name HN) (resid 148 and name OS1) 5.17 1.00 ! error = 0.90 ; 62 2 63 2 parsed_6kr8 2 46 ; assign (resid 230 and name HN) (resid 148 and name OS1) 5.17 1.00 ! error = 0.90 assign (resid 266 and name HN) (resid 148 and name OS1) 39.04 7.09 ; 63 2 64 2 parsed_6kr8 2 47 ; assign (resid 266 and name HN) (resid 148 and name OS1) 39.04 7.09 assign (resid 287 and name HN) (resid 148 and name OS1) 3.67 1.00 ! error = 0.60 ; 64 2 65 2 parsed_6kr8 2 48 ; assign (resid 287 and name HN) (resid 148 and name OS1) 3.67 1.00 ! error = 0.60 assign (resid 311 and name HN) (resid 148 and name OS1) 6.09 1.63 ; 65 2 66 2 parsed_6kr8 2 49 ; assign (resid 311 and name HN) (resid 148 and name OS1) 6.09 1.63 assign (resid 340 and name HN) (resid 148 and name OS1) 0 1.00 ! error = 0.35 ; 66 2 67 2 parsed_6kr8 2 50 ; assign (resid 340 and name HN) (resid 148 and name OS1) 0 1.00 ! error = 0.35 !!!! L266C !!!!! ! Leu residue MTSL Gamma2 error assign (resid 42 and name HN) (resid 266 and name OS1) 0 2.64 ; 67 2 73 2 parsed_6kr8 2 51 ; assign (resid 42 and name HN) (resid 266 and name OS1) 0 2.64 assign (resid 45 and name HN) (resid 266 and name OS1) 0 1.30 ; 73 2 74 2 parsed_6kr8 2 52 ; assign (resid 45 and name HN) (resid 266 and name OS1) 0 1.30 assign (resid 53 and name HN) (resid 266 and name OS1) 8.95 1.77 ; 74 2 75 2 parsed_6kr8 2 53 ; assign (resid 53 and name HN) (resid 266 and name OS1) 8.95 1.77 assign (resid 64 and name HN) (resid 266 and name OS1) 47.42 15.02 ; 75 2 76 2 parsed_6kr8 2 54 ; assign (resid 64 and name HN) (resid 266 and name OS1) 47.42 15.02 assign (resid 80 and name HN) (resid 266 and name OS1) 1.25 1.00 ! error = 0.3 ; 76 2 77 2 parsed_6kr8 2 55 ; assign (resid 80 and name HN) (resid 266 and name OS1) 1.25 1.00 ! error = 0.3 assign (resid 84 and name HN) (resid 266 and name OS1) 3.80 1.00 ! error = 0.94 ; 77 2 78 2 parsed_6kr8 2 56 ; assign (resid 84 and name HN) (resid 266 and name OS1) 3.80 1.00 ! error = 0.94 assign (resid 115 and name HN) (resid 266 and name OS1) 0 1.00 ! error = 0.80 ; 78 2 79 2 parsed_6kr8 2 57 ; assign (resid 115 and name HN) (resid 266 and name OS1) 0 1.00 ! error = 0.80 assign (resid 144 and name HN) (resid 266 and name OS1) 19.48 3.80 ; 79 2 80 2 parsed_6kr8 2 58 ; assign (resid 144 and name HN) (resid 266 and name OS1) 19.48 3.80 assign (resid 145 and name HN) (resid 266 and name OS1) 27.82 5.44 ; 80 2 81 2 parsed_6kr8 2 59 ; assign (resid 145 and name HN) (resid 266 and name OS1) 27.82 5.44 assign (resid 155 and name HN) (resid 266 and name OS1) 26.81 4.38 ; 81 2 82 2 parsed_6kr8 2 60 ; assign (resid 155 and name HN) (resid 266 and name OS1) 26.81 4.38 assign (resid 163 and name HN) (resid 266 and name OS1) 3.94 1.00 ! error = 0.95 ; 82 2 83 2 parsed_6kr8 2 61 ; assign (resid 163 and name HN) (resid 266 and name OS1) 3.94 1.00 ! error = 0.95 assign (resid 167 and name HN) (resid 266 and name OS1) 0 5.96 ; 83 2 84 2 parsed_6kr8 2 62 ; assign (resid 167 and name HN) (resid 266 and name OS1) 0 5.96 !assign (resid 212 and name HN) (resid 266 and name OS1) 0 10 ! Not available !assign (resid 230 and name HN) (resid 266 and name OS1) 100 10 ! To noe !assign (resid 266 and name HN) (resid 266 and name OS1) 100 10 ! Mutated assign (resid 287 and name HN) (resid 266 and name OS1) 8.67 1.19 ; 84 2 88 2 parsed_6kr8 2 63 ; assign (resid 287 and name HN) (resid 266 and name OS1) 8.67 1.19 assign (resid 311 and name HN) (resid 266 and name OS1) 3.19 1.00 ! error = 0.76 ; 88 2 89 2 parsed_6kr8 2 64 ; assign (resid 311 and name HN) (resid 266 and name OS1) 3.19 1.00 ! error = 0.76 assign (resid 340 and name HN) (resid 266 and name OS1) 12.39 2.45 ; 89 2 90 2 parsed_6kr8 2 65 ; assign (resid 340 and name HN) (resid 266 and name OS1) 12.39 2.45 !!!! I334C !!!!! ! Leu residue MTSL Gamma2 error assign (resid 42 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.63 ; 90 2 96 2 parsed_6kr8 2 66 ; assign (resid 42 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.63 assign (resid 45 and name HN) (resid 334 and name OS1) 5.75 1.08 ; 96 2 97 2 parsed_6kr8 2 67 ; assign (resid 45 and name HN) (resid 334 and name OS1) 5.75 1.08 !assign (resid 53 and name HN) (resid 334 and name OS1) 100 10 ! To noe !assign (resid 64 and name HN) (resid 334 and name OS1) 100 10 ! To noe assign (resid 80 and name HN) (resid 334 and name OS1) 0.826 1.00 ! error = 0.15 ; 97 2 100 2 parsed_6kr8 2 68 ; assign (resid 80 and name HN) (resid 334 and name OS1) 0.826 1.00 ! error = 0.15 assign (resid 84 and name HN) (resid 334 and name OS1) 0 2.05 ; 100 2 101 2 parsed_6kr8 2 69 ; assign (resid 84 and name HN) (resid 334 and name OS1) 0 2.05 assign (resid 115 and name HN) (resid 334 and name OS1) 0 4.85 ; 101 2 102 2 parsed_6kr8 2 70 ; assign (resid 115 and name HN) (resid 334 and name OS1) 0 4.85 assign (resid 144 and name HN) (resid 334 and name OS1) 0 2.04 ; 102 2 103 2 parsed_6kr8 2 71 ; assign (resid 144 and name HN) (resid 334 and name OS1) 0 2.04 assign (resid 145 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.57 ; 103 2 104 2 parsed_6kr8 2 72 ; assign (resid 145 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.57 assign (resid 155 and name HN) (resid 334 and name OS1) 6.03 1.06 ; 104 2 105 2 parsed_6kr8 2 73 ; assign (resid 155 and name HN) (resid 334 and name OS1) 6.03 1.06 assign (resid 163 and name HN) (resid 334 and name OS1) 0 3.53 ; 105 2 106 2 parsed_6kr8 2 74 ; assign (resid 163 and name HN) (resid 334 and name OS1) 0 3.53 assign (resid 167 and name HN) (resid 334 and name OS1) 0 3.70 ; 106 2 107 2 parsed_6kr8 2 75 ; assign (resid 167 and name HN) (resid 334 and name OS1) 0 3.70 !assign (resid 212 and name HN) (resid 334 and name OS1) 0 10 ! Not available assign (resid 230 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83 ; 107 2 109 2 parsed_6kr8 2 76 ; assign (resid 230 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83 !assign (resid 266 and name HN) (resid 334 and name OS1) 100 10 ! To noe assign (resid 287 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83 ; 109 2 111 2 parsed_6kr8 2 77 ; assign (resid 287 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83 assign (resid 311 and name HN) (resid 334 and name OS1) 14.67 3.12 ; 111 2 112 2 parsed_6kr8 2 stop_ save_
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