NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
633301 | 6bqi | 30375 | cing | 2-parsed | STAR | dipolar coupling | 131 |
data_6bqi_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6bqi _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_6bqi 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6bqi _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 6bqi "Master copy" parsed_6bqi stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6bqi _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 6bqi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6bqi 1 1 6bqi.mr . . XPLOR/CNS 2 distance NOE simple 2670 parsed_6bqi 1 1 6bqi.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 388 parsed_6bqi 1 1 6bqi.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 131 parsed_6bqi 1 1 6bqi.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6bqi 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_6bqi _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 4 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Source_experiment_ID _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . . . . . . . . . . . . . . . . 3.593000 . . . . . 4 . N . 4 . HN parsed_6bqi 1 2 . . . . . . . . . . . . . . . . 3.718000 . . . . . 6 . N . 6 . HN parsed_6bqi 1 3 . . . . . . . . . . . . . . . . 9.303000 . . . . . 7 . N . 7 . HN parsed_6bqi 1 4 . . . . . . . . . . . . . . . . -0.548000 . . . . . 9 . N . 9 . HN parsed_6bqi 1 5 . . . . . . . . . . . . . . . . 9.902000 . . . . . 11 . N . 11 . HN parsed_6bqi 1 6 . . . . . . . . . . . . . . . . 1.241000 . . . . . 12 . N . 12 . HN parsed_6bqi 1 7 . . . . . . . . . . . . . . . . 1.108000 . . . . . 13 . N . 13 . HN parsed_6bqi 1 8 . . . . . . . . . . . . . . . . 10.471000 . . . . . 14 . N . 14 . HN parsed_6bqi 1 9 . . . . . . . . . . . . . . . . 6.438000 . . . . . 15 . N . 15 . HN parsed_6bqi 1 10 . . . . . . . . . . . . . . . . -1.840000 . . . . . 16 . N . 16 . HN parsed_6bqi 1 11 . . . . . . . . . . . . . . . . 1.203000 . . . . . 17 . N . 17 . HN parsed_6bqi 1 12 . . . . . . . . . . . . . . . . 9.434000 . . . . . 18 . N . 18 . HN parsed_6bqi 1 13 . . . . . . . . . . . . . . . . -1.160000 . . . . . 19 . N . 19 . HN parsed_6bqi 1 14 . . . . . . . . . . . . . . . . -3.376000 . . . . . 21 . N . 21 . HN parsed_6bqi 1 15 . . . . . . . . . . . . . . . . -22.858000 . . . . . 24 . N . 24 . HN parsed_6bqi 1 16 . . . . . . . . . . . . . . . . -25.444000 . . . . . 25 . N . 25 . HN parsed_6bqi 1 17 . . . . . . . . . . . . . . . . -9.778000 . . . . . 26 . N . 26 . HN parsed_6bqi 1 18 . . . . . . . . . . . . . . . . 20.874000 . . . . . 28 . N . 28 . HN parsed_6bqi 1 19 . . . . . . . . . . . . . . . . 10.980000 . . . . . 30 . N . 30 . HN parsed_6bqi 1 20 . . . . . . . . . . . . . . . . -15.268000 . . . . . 31 . N . 31 . HN parsed_6bqi 1 21 . . . . . . . . . . . . . . . . -26.797000 . . . . . 32 . N . 32 . HN parsed_6bqi 1 22 . . . . . . . . . . . . . . . . -29.177000 . . . . . 33 . N . 33 . HN parsed_6bqi 1 23 . . . . . . . . . . . . . . . . -10.868000 . . . . . 35 . N . 35 . HN parsed_6bqi 1 24 . . . . . . . . . . . . . . . . -16.098000 . . . . . 36 . N . 36 . HN parsed_6bqi 1 25 . . . . . . . . . . . . . . . . 14.036000 . . . . . 37 . N . 37 . HN parsed_6bqi 1 26 . . . . . . . . . . . . . . . . 20.163000 . . . . . 41 . N . 41 . HN parsed_6bqi 1 27 . . . . . . . . . . . . . . . . 0.131000 . . . . . 45 . N . 45 . HN parsed_6bqi 1 28 . . . . . . . . . . . . . . . . -25.566000 . . . . . 47 . N . 47 . HN parsed_6bqi 1 29 . . . . . . . . . . . . . . . . -29.861000 . . . . . 48 . N . 48 . HN parsed_6bqi 1 30 . . . . . . . . . . . . . . . . 7.557000 . . . . . 49 . N . 49 . HN parsed_6bqi 1 31 . . . . . . . . . . . . . . . . 25.143000 . . . . . 51 . N . 51 . HN parsed_6bqi 1 32 . . . . . . . . . . . . . . . . 3.238000 . . . . . 52 . N . 52 . HN parsed_6bqi 1 33 . . . . . . . . . . . . . . . . -9.041000 . . . . . 53 . N . 53 . HN parsed_6bqi 1 34 . . . . . . . . . . . . . . . . -6.708000 . . . . . 56 . N . 56 . HN parsed_6bqi 1 35 . . . . . . . . . . . . . . . . 0.415000 . . . . . 61 . N . 61 . HN parsed_6bqi 1 36 . . . . . . . . . . . . . . . . -20.285000 . . . . . 62 . N . 62 . HN parsed_6bqi 1 37 . . . . . . . . . . . . . . . . 16.561000 . . . . . 63 . N . 63 . HN parsed_6bqi 1 38 . . . . . . . . . . . . . . . . -1.718000 . . . . . 64 . N . 64 . HN parsed_6bqi 1 39 . . . . . . . . . . . . . . . . 16.464000 . . . . . 65 . N . 65 . HN parsed_6bqi 1 40 . . . . . . . . . . . . . . . . 29.743000 . . . . . 68 . N . 68 . HN parsed_6bqi 1 41 . . . . . . . . . . . . . . . . -1.885000 . . . . . 73 . N . 73 . HN parsed_6bqi 1 42 . . . . . . . . . . . . . . . . 11.395000 . . . . . 77 . N . 77 . HN parsed_6bqi 1 43 . . . . . . . . . . . . . . . . 3.857000 . . . . . 83 . N . 83 . HN parsed_6bqi 1 44 . . . . . . . . . . . . . . . . 23.763000 . . . . . 85 . N . 85 . HN parsed_6bqi 1 45 . . . . . . . . . . . . . . . . 23.130000 . . . . . 86 . N . 86 . HN parsed_6bqi 1 46 . . . . . . . . . . . . . . . . 26.933000 . . . . . 89 . N . 89 . HN parsed_6bqi 1 47 . . . . . . . . . . . . . . . . 15.906000 . . . . . 90 . N . 90 . HN parsed_6bqi 1 48 . . . . . . . . . . . . . . . . 12.497000 . . . . . 91 . N . 91 . HN parsed_6bqi 1 49 . . . . . . . . . . . . . . . . 7.564000 . . . . . 93 . N . 93 . HN parsed_6bqi 1 50 . . . . . . . . . . . . . . . . -17.560000 . . . . . 94 . N . 94 . HN parsed_6bqi 1 51 . . . . . . . . . . . . . . . . -22.853000 . . . . . 95 . N . 95 . HN parsed_6bqi 1 52 . . . . . . . . . . . . . . . . 28.353000 . . . . . 96 . N . 96 . HN parsed_6bqi 1 53 . . . . . . . . . . . . . . . . 3.058000 . . . . . 98 . N . 98 . HN parsed_6bqi 1 54 . . . . . . . . . . . . . . . . 20.429000 . . . . . 99 . N . 99 . HN parsed_6bqi 1 55 . . . . . . . . . . . . . . . . -27.917000 . . . . . 100 . N . 100 . HN parsed_6bqi 1 56 . . . . . . . . . . . . . . . . -11.828000 . . . . . 101 . N . 101 . HN parsed_6bqi 1 57 . . . . . . . . . . . . . . . . -20.846000 . . . . . 104 . N . 104 . HN parsed_6bqi 1 58 . . . . . . . . . . . . . . . . -12.194000 . . . . . 105 . N . 105 . HN parsed_6bqi 1 59 . . . . . . . . . . . . . . . . -17.060000 . . . . . 106 . N . 106 . HN parsed_6bqi 1 60 . . . . . . . . . . . . . . . . -1.167000 . . . . . 108 . N . 108 . HN parsed_6bqi 1 61 . . . . . . . . . . . . . . . . -1.490000 . . . . . 109 . N . 109 . HN parsed_6bqi 1 62 . . . . . . . . . . . . . . . . -22.094000 . . . . . 110 . N . 110 . HN parsed_6bqi 1 63 . . . . . . . . . . . . . . . . 21.361000 . . . . . 112 . N . 112 . HN parsed_6bqi 1 64 . . . . . . . . . . . . . . . . 19.954000 . . . . . 127 . N . 127 . HN parsed_6bqi 1 65 . . . . . . . . . . . . . . . . -3.209000 . . . . . 129 . N . 129 . HN parsed_6bqi 1 66 . . . . . . . . . . . . . . . . -11.971000 . . . . . 132 . N . 132 . HN parsed_6bqi 1 67 . . . . . . . . . . . . . . . . 7.513000 . . . . . 134 . N . 134 . HN parsed_6bqi 1 68 . . . . . . . . . . . . . . . . -27.760000 . . . . . 135 . N . 135 . HN parsed_6bqi 1 69 . . . . . . . . . . . . . . . . -23.807000 . . . . . 136 . N . 136 . HN parsed_6bqi 1 70 . . . . . . . . . . . . . . . . -25.200000 . . . . . 137 . N . 137 . HN parsed_6bqi 1 71 . . . . . . . . . . . . . . . . 13.900000 . . . . . 145 . N . 145 . HN parsed_6bqi 1 72 . . . . . . . . . . . . . . . . 23.904000 . . . . . 147 . N . 147 . HN parsed_6bqi 1 73 . . . . . . . . . . . . . . . . -9.526000 . . . . . 151 . N . 151 . HN parsed_6bqi 1 74 . . . . . . . . . . . . . . . . -8.369000 . . . . . 152 . N . 152 . HN parsed_6bqi 1 75 . . . . . . . . . . . . . . . . -22.473000 . . . . . 153 . N . 153 . HN parsed_6bqi 1 76 . . . . . . . . . . . . . . . . -15.715000 . . . . . 155 . N . 155 . HN parsed_6bqi 1 77 . . . . . . . . . . . . . . . . -17.809000 . . . . . 156 . N . 156 . HN parsed_6bqi 1 78 . . . . . . . . . . . . . . . . -11.223000 . . . . . 158 . N . 158 . HN parsed_6bqi 1 79 . . . . . . . . . . . . . . . . -9.031000 . . . . . 160 . N . 160 . HN parsed_6bqi 1 80 . . . . . . . . . . . . . . . . -11.632000 . . . . . 164 . N . 164 . HN parsed_6bqi 1 81 . . . . . . . . . . . . . . . . -2.110000 . . . . . 167 . N . 167 . HN parsed_6bqi 1 82 . . . . . . . . . . . . . . . . -20.130000 . . . . . 168 . N . 168 . HN parsed_6bqi 1 83 . . . . . . . . . . . . . . . . 5.220000 . . . . . 170 . N . 170 . HN parsed_6bqi 1 84 . . . . . . . . . . . . . . . . -16.330000 . . . . . 171 . N . 171 . HN parsed_6bqi 1 85 . . . . . . . . . . . . . . . . 3.016000 . . . . . 177 . N . 177 . HN parsed_6bqi 1 86 . . . . . . . . . . . . . . . . -8.005000 . . . . . 182 . N . 182 . HN parsed_6bqi 1 87 . . . . . . . . . . . . . . . . -15.005000 . . . . . 183 . N . 183 . HN parsed_6bqi 1 88 . . . . . . . . . . . . . . . . -6.399000 . . . . . 186 . N . 186 . HN parsed_6bqi 1 89 . . . . . . . . . . . . . . . . -17.602000 . . . . . 187 . N . 187 . HN parsed_6bqi 1 90 . . . . . . . . . . . . . . . . -15.393000 . . . . . 189 . N . 189 . HN parsed_6bqi 1 91 . . . . . . . . . . . . . . . . 12.527000 . . . . . 190 . N . 190 . HN parsed_6bqi 1 92 . . . . . . . . . . . . . . . . -3.336000 . . . . . 195 . N . 195 . HN parsed_6bqi 1 93 . . . . . . . . . . . . . . . . 2.015000 . . . . . 198 . N . 198 . HN parsed_6bqi 1 94 . . . . . . . . . . . . . . . . 7.156000 . . . . . 199 . N . 199 . HN parsed_6bqi 1 95 . . . . . . . . . . . . . . . . 7.157000 . . . . . 200 . N . 200 . HN parsed_6bqi 1 96 . . . . . . . . . . . . . . . . 12.527000 . . . . . 201 . N . 201 . HN parsed_6bqi 1 97 . . . . . . . . . . . . . . . . -1.773000 . . . . . 202 . N . 202 . HN parsed_6bqi 1 98 . . . . . . . . . . . . . . . . 1.020000 . . . . . 204 . N . 204 . HN parsed_6bqi 1 99 . . . . . . . . . . . . . . . . 10.097000 . . . . . 207 . N . 207 . HN parsed_6bqi 1 100 . . . . . . . . . . . . . . . . -1.184000 . . . . . 209 . N . 209 . HN parsed_6bqi 1 101 . . . . . . . . . . . . . . . . 5.130000 . . . . . 211 . N . 211 . HN parsed_6bqi 1 102 . . . . . . . . . . . . . . . . 5.493000 . . . . . 212 . N . 212 . HN parsed_6bqi 1 103 . . . . . . . . . . . . . . . . 5.587000 . . . . . 213 . N . 213 . HN parsed_6bqi 1 104 . . . . . . . . . . . . . . . . 6.437000 . . . . . 215 . N . 215 . HN parsed_6bqi 1 105 . . . . . . . . . . . . . . . . 1.419000 . . . . . 216 . N . 216 . HN parsed_6bqi 1 106 . . . . . . . . . . . . . . . . 14.700000 . . . . . 217 . N . 217 . HN parsed_6bqi 1 107 . . . . . . . . . . . . . . . . -8.028000 . . . . . 218 . N . 218 . HN parsed_6bqi 1 108 . . . . . . . . . . . . . . . . -10.268000 . . . . . 219 . N . 219 . HN parsed_6bqi 1 109 . . . . . . . . . . . . . . . . -0.106000 . . . . . 220 . N . 220 . HN parsed_6bqi 1 110 . . . . . . . . . . . . . . . . -14.878000 . . . . . 221 . N . 221 . HN parsed_6bqi 1 111 . . . . . . . . . . . . . . . . -2.300000 . . . . . 222 . N . 222 . HN parsed_6bqi 1 112 . . . . . . . . . . . . . . . . -13.100000 . . . . . 224 . N . 224 . HN parsed_6bqi 1 113 . . . . . . . . . . . . . . . . -1.560000 . . . . . 225 . N . 225 . HN parsed_6bqi 1 114 . . . . . . . . . . . . . . . . 17.041000 . . . . . 227 . N . 227 . HN parsed_6bqi 1 115 . . . . . . . . . . . . . . . . 16.770000 . . . . . 229 . N . 229 . HN parsed_6bqi 1 116 . . . . . . . . . . . . . . . . 2.051000 . . . . . 241 . N . 241 . HN parsed_6bqi 1 117 . . . . . . . . . . . . . . . . -1.150000 . . . . . 244 . N . 244 . HN parsed_6bqi 1 118 . . . . . . . . . . . . . . . . -7.600000 . . . . . 246 . N . 246 . HN parsed_6bqi 1 119 . . . . . . . . . . . . . . . . -11.702000 . . . . . 247 . N . 247 . HN parsed_6bqi 1 120 . . . . . . . . . . . . . . . . -3.859000 . . . . . 248 . N . 248 . HN parsed_6bqi 1 121 . . . . . . . . . . . . . . . . -9.860000 . . . . . 250 . N . 250 . HN parsed_6bqi 1 122 . . . . . . . . . . . . . . . . -11.995000 . . . . . 251 . N . 251 . HN parsed_6bqi 1 123 . . . . . . . . . . . . . . . . -1.754000 . . . . . 252 . N . 252 . HN parsed_6bqi 1 124 . . . . . . . . . . . . . . . . -3.980000 . . . . . 253 . N . 253 . HN parsed_6bqi 1 125 . . . . . . . . . . . . . . . . -19.094000 . . . . . 254 . N . 254 . HN parsed_6bqi 1 126 . . . . . . . . . . . . . . . . 12.932000 . . . . . 255 . N . 255 . HN parsed_6bqi 1 127 . . . . . . . . . . . . . . . . 6.139000 . . . . . 256 . N . 256 . HN parsed_6bqi 1 128 . . . . . . . . . . . . . . . . 0.359000 . . . . . 257 . N . 257 . HN parsed_6bqi 1 129 . . . . . . . . . . . . . . . . 23.059000 . . . . . 135 . NE1 . 135 . HE1 parsed_6bqi 1 130 . . . . . . . . . . . . . . . . -1.064000 . . . . . 220 . NE1 . 220 . HE1 parsed_6bqi 1 131 . . . . . . . . . . . . . . . . -5.108000 . . . . . 229 . NE1 . 229 . HE1 parsed_6bqi 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name N ) ( resid 67 and name HN ) 35.475000 7.000000 ; 275 1 280 55 parsed_6bqi 1 2 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 141 and name N ) ( resid 141 and name HN ) 27.640000 5.000000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 143 and name N ) ( resid 143 and name HN ) 28.220000 5.000000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 144 and name N ) ( resid 144 and name HN ) 28.273000 5.000000 ; 500 1 519 57 parsed_6bqi 1 3 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 150 and name N ) ( resid 150 and name HN ) 26.327000 5.000000 ; 535 1 540 57 parsed_6bqi 1 4 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 154 and name N ) ( resid 154 and name HN ) -31.715000 5.000000 ; 563 1 568 58 parsed_6bqi 1 5 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 180 and name N ) ( resid 180 and name HN ) 21.658000 5.000000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 181 and name N ) ( resid 181 and name HN ) 22.918000 5.000000 ; 640 1 652 57 parsed_6bqi 1 6 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 191 and name N ) ( resid 191 and name HN ) 3.991000 5.000000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 192 and name N ) ( resid 192 and name HN ) 9.527000 5.000000 ; 696 1 708 56 parsed_6bqi 1 7 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 258 and name N ) ( resid 258 and name HN ) 5.450000 5.000000 ; 969 1 974 56 parsed_6bqi 1 stop_ loop_ _RDC_constraint_parse_err.ID _RDC_constraint_parse_err.Content _RDC_constraint_parse_err.Begin_line _RDC_constraint_parse_err.Begin_column _RDC_constraint_parse_err.End_line _RDC_constraint_parse_err.End_column _RDC_constraint_parse_err.Entry_ID _RDC_constraint_parse_err.RDC_constraint_list_ID 1 "# Restraints file 3: rdc.tbl" 1 1 1 28 parsed_6bqi 1 stop_ save_
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