NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
476106 | 1bau | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 46 |
data_1bau_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1bau _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_1bau 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1bau _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 1bau "Master copy" parsed_1bau stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1bau _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 1bau.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bau 1 1 1bau.mr . . AMBER 2 distance NOE simple 476 parsed_1bau 1 1 1bau.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 220 parsed_1bau 1 1 1bau.mr . . AMBER 4 angle "Not applicable" "Not applicable" 0 parsed_1bau 1 1 1bau.mr . . AMBER 5 distance "hydrogen bond" simple 46 parsed_1bau 1 1 1bau.mr . . AMBER 6 angle "Not applicable" "Not applicable" 0 parsed_1bau 1 1 1bau.mr . . AMBER 7 distance "hydrogen bond" simple 0 parsed_1bau 1 1 1bau.mr . . AMBER 8 angle "Not applicable" "Not applicable" 0 parsed_1bau 1 1 1bau.mr . . AMBER 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bau 1 1 1bau.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1bau 1 1 1bau.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bau 1 stop_ save_ save_AMBER_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1bau _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _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_1bau 1 2 1 . . . parsed_1bau 1 3 1 . . . parsed_1bau 1 4 1 . . . parsed_1bau 1 5 1 . . . parsed_1bau 1 6 1 . . . parsed_1bau 1 7 1 . . . parsed_1bau 1 8 1 . . . parsed_1bau 1 9 1 . . . parsed_1bau 1 10 1 . . . parsed_1bau 1 11 1 . . . parsed_1bau 1 12 1 . . . parsed_1bau 1 13 1 . . . parsed_1bau 1 14 1 . . . parsed_1bau 1 15 1 . . . parsed_1bau 1 16 1 . . . parsed_1bau 1 17 1 . . . parsed_1bau 1 18 1 . . . parsed_1bau 1 19 1 . . . parsed_1bau 1 20 1 . . . parsed_1bau 1 21 1 . . . parsed_1bau 1 22 1 . . . parsed_1bau 1 23 1 . . . parsed_1bau 1 24 1 . . . parsed_1bau 1 25 1 . . . parsed_1bau 1 26 1 . . . parsed_1bau 1 27 1 . . . parsed_1bau 1 28 1 . . . parsed_1bau 1 29 1 . . . parsed_1bau 1 30 1 . . . parsed_1bau 1 31 1 . . . parsed_1bau 1 32 1 . . . parsed_1bau 1 33 1 . . . parsed_1bau 1 34 1 . . . parsed_1bau 1 35 1 . . . parsed_1bau 1 36 1 . . . parsed_1bau 1 37 1 . . . parsed_1bau 1 38 1 . . . parsed_1bau 1 39 1 . . . parsed_1bau 1 40 1 . . . parsed_1bau 1 41 1 . . . parsed_1bau 1 42 1 . . . parsed_1bau 1 43 1 . . . parsed_1bau 1 44 1 . . . parsed_1bau 1 45 1 . . . parsed_1bau 1 46 1 . . . parsed_1bau 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 . O6 parsed_1bau 1 1 1 2 . . . . . . . . . 23 . N4 parsed_1bau 1 2 1 1 . . . . . . . . . 1 . N1 parsed_1bau 1 2 1 2 . . . . . . . . . 23 . N3 parsed_1bau 1 3 1 1 . . . . . . . . . 1 . N2 parsed_1bau 1 3 1 2 . . . . . . . . . 23 . O2 parsed_1bau 1 4 1 1 . . . . . . . . . 2 . O6 parsed_1bau 1 4 1 2 . . . . . . . . . 22 . N4 parsed_1bau 1 5 1 1 . . . . . . . . . 2 . N1 parsed_1bau 1 5 1 2 . . . . . . . . . 22 . N3 parsed_1bau 1 6 1 1 . . . . . . . . . 2 . N2 parsed_1bau 1 6 1 2 . . . . . . . . . 22 . O2 parsed_1bau 1 7 1 1 . . . . . . . . . 21 . O6 parsed_1bau 1 7 1 2 . . . . . . . . . 3 . N4 parsed_1bau 1 8 1 1 . . . . . . . . . 21 . N1 parsed_1bau 1 8 1 2 . . . . . . . . . 3 . N3 parsed_1bau 1 9 1 1 . . . . . . . . . 21 . N2 parsed_1bau 1 9 1 2 . . . . . . . . . 3 . O2 parsed_1bau 1 10 1 1 . . . . . . . . . 4 . N6 parsed_1bau 1 10 1 2 . . . . . . . . . 20 . O4 parsed_1bau 1 11 1 1 . . . . . . . . . 4 . N1 parsed_1bau 1 11 1 2 . . . . . . . . . 20 . N3 parsed_1bau 1 12 1 1 . . . . . . . . . 5 . N6 parsed_1bau 1 12 1 2 . . . . . . . . . 19 . O4 parsed_1bau 1 13 1 1 . . . . . . . . . 5 . N1 parsed_1bau 1 13 1 2 . . . . . . . . . 19 . N3 parsed_1bau 1 14 1 1 . . . . . . . . . 24 . O6 parsed_1bau 1 14 1 2 . . . . . . . . . 46 . N4 parsed_1bau 1 15 1 1 . . . . . . . . . 24 . N1 parsed_1bau 1 15 1 2 . . . . . . . . . 46 . N3 parsed_1bau 1 16 1 1 . . . . . . . . . 24 . N2 parsed_1bau 1 16 1 2 . . . . . . . . . 46 . O2 parsed_1bau 1 17 1 1 . . . . . . . . . 25 . O6 parsed_1bau 1 17 1 2 . . . . . . . . . 45 . N4 parsed_1bau 1 18 1 1 . . . . . . . . . 25 . N1 parsed_1bau 1 18 1 2 . . . . . . . . . 45 . N3 parsed_1bau 1 19 1 1 . . . . . . . . . 25 . N2 parsed_1bau 1 19 1 2 . . . . . . . . . 45 . O2 parsed_1bau 1 20 1 1 . . . . . . . . . 44 . O6 parsed_1bau 1 20 1 2 . . . . . . . . . 26 . N4 parsed_1bau 1 21 1 1 . . . . . . . . . 44 . N1 parsed_1bau 1 21 1 2 . . . . . . . . . 26 . N3 parsed_1bau 1 22 1 1 . . . . . . . . . 44 . N2 parsed_1bau 1 22 1 2 . . . . . . . . . 26 . O2 parsed_1bau 1 23 1 1 . . . . . . . . . 27 . N6 parsed_1bau 1 23 1 2 . . . . . . . . . 43 . O4 parsed_1bau 1 24 1 1 . . . . . . . . . 27 . N1 parsed_1bau 1 24 1 2 . . . . . . . . . 43 . N3 parsed_1bau 1 25 1 1 . . . . . . . . . 28 . N6 parsed_1bau 1 25 1 2 . . . . . . . . . 42 . O4 parsed_1bau 1 26 1 1 . . . . . . . . . 28 . N1 parsed_1bau 1 26 1 2 . . . . . . . . . 42 . N3 parsed_1bau 1 27 1 1 . . . . . . . . . 10 . O6 parsed_1bau 1 27 1 2 . . . . . . . . . 38 . N4 parsed_1bau 1 28 1 1 . . . . . . . . . 10 . N1 parsed_1bau 1 28 1 2 . . . . . . . . . 38 . N3 parsed_1bau 1 29 1 1 . . . . . . . . . 10 . N2 parsed_1bau 1 29 1 2 . . . . . . . . . 38 . O2 parsed_1bau 1 30 1 1 . . . . . . . . . 37 . O6 parsed_1bau 1 30 1 2 . . . . . . . . . 11 . N4 parsed_1bau 1 31 1 1 . . . . . . . . . 37 . N1 parsed_1bau 1 31 1 2 . . . . . . . . . 11 . N3 parsed_1bau 1 32 1 1 . . . . . . . . . 37 . N2 parsed_1bau 1 32 1 2 . . . . . . . . . 11 . O2 parsed_1bau 1 33 1 1 . . . . . . . . . 12 . O6 parsed_1bau 1 33 1 2 . . . . . . . . . 36 . N4 parsed_1bau 1 34 1 1 . . . . . . . . . 12 . N1 parsed_1bau 1 34 1 2 . . . . . . . . . 36 . N3 parsed_1bau 1 35 1 1 . . . . . . . . . 12 . N2 parsed_1bau 1 35 1 2 . . . . . . . . . 36 . O2 parsed_1bau 1 36 1 1 . . . . . . . . . 35 . O6 parsed_1bau 1 36 1 2 . . . . . . . . . 13 . N4 parsed_1bau 1 37 1 1 . . . . . . . . . 35 . N1 parsed_1bau 1 37 1 2 . . . . . . . . . 13 . N3 parsed_1bau 1 38 1 1 . . . . . . . . . 35 . N2 parsed_1bau 1 38 1 2 . . . . . . . . . 13 . O2 parsed_1bau 1 39 1 1 . . . . . . . . . 14 . O6 parsed_1bau 1 39 1 2 . . . . . . . . . 34 . N4 parsed_1bau 1 40 1 1 . . . . . . . . . 14 . N1 parsed_1bau 1 40 1 2 . . . . . . . . . 34 . N3 parsed_1bau 1 41 1 1 . . . . . . . . . 14 . N2 parsed_1bau 1 41 1 2 . . . . . . . . . 34 . O2 parsed_1bau 1 42 1 1 . . . . . . . . . 33 . O6 parsed_1bau 1 42 1 2 . . . . . . . . . 15 . N4 parsed_1bau 1 43 1 1 . . . . . . . . . 33 . N1 parsed_1bau 1 43 1 2 . . . . . . . . . 15 . N3 parsed_1bau 1 44 1 1 . . . . . . . . . 33 . N2 parsed_1bau 1 44 1 2 . . . . . . . . . 15 . O2 parsed_1bau 1 45 1 1 . . . . . . . . . 6 . N3 parsed_1bau 1 45 1 2 . . . . . . . . . 18 . O6 parsed_1bau 1 46 1 1 . . . . . . . . . 6 . O2 parsed_1bau 1 46 1 2 . . . . . . . . . 18 . N1 parsed_1bau 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 . . . . . 3.010 2.810 3.310 parsed_1bau 1 2 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 3 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 4 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 5 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 6 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 7 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 8 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 9 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 10 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 11 1 . . . . . 2.920 2.720 3.220 parsed_1bau 1 12 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 13 1 . . . . . 2.919 2.719 3.219 parsed_1bau 1 14 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 15 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 16 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 17 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 18 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 19 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 20 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 21 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 22 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 23 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 24 1 . . . . . 2.920 2.720 3.220 parsed_1bau 1 25 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 26 1 . . . . . 2.942 2.742 3.242 parsed_1bau 1 27 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 28 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 29 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 30 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 31 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 32 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 33 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 34 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 35 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 36 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 37 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 38 1 . . . . . 2.960 2.760 3.130 parsed_1bau 1 39 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 40 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 41 1 . . . . . 2.960 2.760 3.260 parsed_1bau 1 42 1 . . . . . 3.010 2.810 3.310 parsed_1bau 1 43 1 . . . . . 3.050 2.850 3.350 parsed_1bau 1 44 1 . . . . . 2.960 2.760 3.150 parsed_1bau 1 45 1 . . . . . 3.000 2.800 3.300 parsed_1bau 1 46 1 . . . . . 2.820 2.620 3.000 parsed_1bau 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 ; ######################################## HB Distance Restraints for Base-Pairs # ######################################## G1-C23 distance constraint number 1 ; 1 1 6 33 parsed_1bau 1 2 "distance constraint number 2" 10 1 10 33 parsed_1bau 1 3 "distance constraint number 3" 14 1 14 33 parsed_1bau 1 4 ; G2-C22 distance constraint number 7 ; 20 1 21 33 parsed_1bau 1 5 "distance constraint number 8" 25 1 25 33 parsed_1bau 1 6 "distance constraint number 9" 29 1 29 33 parsed_1bau 1 7 ; C3-G21 distance constraint number 4 ; 34 1 35 33 parsed_1bau 1 8 "distance constraint number 5" 39 1 39 33 parsed_1bau 1 9 "distance constraint number 6" 43 1 43 33 parsed_1bau 1 10 ; A4-U20 distance constraint number 10 ; 48 1 49 34 parsed_1bau 1 11 "distance constraint number 11" 53 1 53 34 parsed_1bau 1 12 ; A5-U19 distance constraint number 10 ; 58 1 59 34 parsed_1bau 1 13 "distance constraint number 11" 63 1 63 34 parsed_1bau 1 14 ; #################################################### Distance Restraints for Base-Pairs of IInd HAIR-PIN# #################################################### G24-C46 distance constraint number 1 ; 68 1 73 33 parsed_1bau 1 15 "distance constraint number 2" 77 1 77 33 parsed_1bau 1 16 "distance constraint number 3" 81 1 81 33 parsed_1bau 1 17 ; G25-C45 distance constraint number 7 ; 86 1 87 33 parsed_1bau 1 18 "distance constraint number 8" 91 1 91 33 parsed_1bau 1 19 "distance constraint number 9" 95 1 95 33 parsed_1bau 1 20 ; C26-G44 distance constraint number 4 ; 100 1 101 33 parsed_1bau 1 21 "distance constraint number 5" 105 1 105 33 parsed_1bau 1 22 "distance constraint number 6" 109 1 109 33 parsed_1bau 1 23 ; A27-U43 distance constraint number 10 ; 114 1 115 34 parsed_1bau 1 24 "distance constraint number 11" 119 1 119 34 parsed_1bau 1 25 ; A28-U42 distance constraint number 10 ; 124 1 125 34 parsed_1bau 1 26 "distance constraint number 11" 129 1 129 34 parsed_1bau 1 27 ; #################################### LOOP DUPLEX HB DISTANCE constraints# #################################### G10-C38 distance constraint number 12 ; 134 1 139 34 parsed_1bau 1 28 "distance constraint number 13" 143 1 143 34 parsed_1bau 1 29 "distance constraint number 14" 147 1 147 34 parsed_1bau 1 30 ; C11-G37 distance constraint number 4 ; 152 1 153 33 parsed_1bau 1 31 "distance constraint number 5" 157 1 157 33 parsed_1bau 1 32 "distance constraint number 6" 161 1 161 33 parsed_1bau 1 33 ; G12-C36 distance constraint number 12 ; 166 1 167 34 parsed_1bau 1 34 "distance constraint number 13" 171 1 171 34 parsed_1bau 1 35 "distance constraint number 14" 175 1 175 34 parsed_1bau 1 36 ; C13-G35 distance constraint number 4 ; 180 1 181 33 parsed_1bau 1 37 "distance constraint number 5" 185 1 185 33 parsed_1bau 1 38 "distance constraint number 6" 189 1 189 33 parsed_1bau 1 39 ; G14-C34 distance constraint number 12 ; 194 1 195 34 parsed_1bau 1 40 "distance constraint number 13" 199 1 199 34 parsed_1bau 1 41 "distance constraint number 14" 203 1 203 34 parsed_1bau 1 42 ; C15-G33 distance constraint number 4 ; 208 1 209 33 parsed_1bau 1 43 "distance constraint number 5" 213 1 213 33 parsed_1bau 1 44 "distance constraint number 6" 217 1 217 33 parsed_1bau 1 45 ; ############################### RESTRAINTS FOR U.G WOBBLE BP # ############################### U6-G18 (wobble) distance constraint number 1 ; 222 1 227 33 parsed_1bau 1 46 "distance constraint number 2" 231 1 231 33 parsed_1bau 1 stop_ save_
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