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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
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475076 |
2ktz ![]() ![]() |
cing | 2-parsed | STAR | distance | general distance | simple |
data_2ktz_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ktz _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_2ktz 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ktz _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 2ktz "Master copy" parsed_2ktz stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ktz _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 2ktz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ktz 1 1 2ktz.mr . . AMBER 2 distance "hydrogen bond" simple 0 parsed_2ktz 1 1 2ktz.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ktz 1 1 2ktz.mr . . AMBER 4 distance "general distance" simple 0 parsed_2ktz 1 1 2ktz.mr . . AMBER 5 distance NOE simple 0 parsed_2ktz 1 1 2ktz.mr . . AMBER 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ktz 1 1 2ktz.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ktz 1 stop_ save_ save_AMBER_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ktz _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" 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 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="CA2", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 4 2 5 52 parsed_2ktz 1 2 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5, atnam="H11", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 9 2 10 52 parsed_2ktz 1 3 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 14 2 15 52 parsed_2ktz 1 4 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5, atnam="H1", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 19 2 20 51 parsed_2ktz 1 5 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5, atnam="H1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 24 2 25 52 parsed_2ktz 1 6 ; &rst iresid= 1, iat= 39, 5, r1= 3, r2= 3.50, r3= 5.50, r4= 6, atnam="H2", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 29 2 30 52 parsed_2ktz 1 7 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="NP3", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 34 2 35 53 parsed_2ktz 1 8 ; &rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="NP3", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 39 2 40 53 parsed_2ktz 1 9 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5, atnam="H1", "H2'1", rk2=15.0, rk3=15.0, ir6=1, &end ; 44 2 45 53 parsed_2ktz 1 10 ; &rst iresid= 1, iat= 39, 5, r1= 1.5, r2= 2.00, r3= 5.50, r4= 6, atnam="H11", "H3'", rk2=15.0, rk3=15.0, ir6=1, &end ; 49 2 50 53 parsed_2ktz 1 11 ; &rst iresid= 1, iat= 39, 4, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="NP3", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 54 2 55 53 parsed_2ktz 1 12 ; &rst iresid= 1, iat= 39, 4, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 59 2 60 52 parsed_2ktz 1 13 ; &rst iresid= 1, iat= 39, 6, r1= 3.0, r2= 3.50, r3= 7.00, r4= 7.5, atnam="H10A", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 64 2 65 53 parsed_2ktz 1 14 ; &rst iresid= 1, iat= 39, 6, r1= 3.0, r2= 3.50, r3= 7.00, r4= 7.5, atnam="H10B", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 69 2 70 53 parsed_2ktz 1 15 ; &rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 4.50, r4= 5.0, atnam="CA2", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 74 2 75 52 parsed_2ktz 1 16 ; &rst iresid= 1, iat= 39, 6, r1= 3.0, r2= 3.50, r3= 5.50, r4= 6.0, atnam="C10", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 79 2 80 52 parsed_2ktz 1 17 ; &rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5, atnam="NP3", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 84 2 85 52 parsed_2ktz 1 18 ; &rst iresid= 1, iat= 39, 6, r1= 3, r2= 3.50, r3= 5.50, r4= 6.0, atnam="H1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 89 2 90 51 parsed_2ktz 1 19 ; &rst iresid= 1, iat= 39, 6, r1= 3.5, r2= 4.00, r3= 6.00, r4= 6.5, atnam="H2", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 94 2 95 51 parsed_2ktz 1 20 ; &rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 99 2 100 52 parsed_2ktz 1 21 ; &rst iresid= 1, iat= 39, 6, r1= 1.5, r2= 2.00, r3= 5.00, r4= 5.5, atnam="H11", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 104 2 105 52 parsed_2ktz 1 22 ; &rst iresid= 1, iat= 39, 7, r1= 1.5, r2= 2.00, r3= 6.50, r4= 7, atnam="NP3", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 109 2 110 52 parsed_2ktz 1 23 ; &rst iresid= 1, iat= 39, 12, r1= 1.5, r2= 2.00, r3= 6.50, r4= 7, atnam="NP2", "H5", rk2=15.0, rk3=15.0, ir6=1, &end ; 114 2 115 52 parsed_2ktz 1 24 ; &rst iresid= 1, iat= 39, 11, r1= 1.5, r2= 2.00, r3= 6.00, r4= 6.5, atnam="CB1", "H5", rk2=15.0, rk3=15.0, ir6=1, &end ; 119 2 120 52 parsed_2ktz 1 25 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CG3", "HB1A", rk2=15.0, rk3=15.0, ir6=1, &end ; 124 2 125 54 parsed_2ktz 1 26 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CG3", "HB1B", rk2=15.0, rk3=15.0, ir6=1, &end ; 129 2 130 54 parsed_2ktz 1 27 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CG2", "HB1B", rk2=15.0, rk3=15.0, ir6=1, &end ; 134 2 135 54 parsed_2ktz 1 28 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CG2", "HB1A", rk2=15.0, rk3=15.0, ir6=1, &end ; 139 2 140 54 parsed_2ktz 1 29 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CG3", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 144 2 145 52 parsed_2ktz 1 30 ; &rst iresid= 1, iat= 39, 39, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="CG3", "H1", rk2=15.0, rk3=15.0, ir6=1, &end ; 149 2 150 52 parsed_2ktz 1 31 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CG2", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 154 2 155 52 parsed_2ktz 1 32 ; &rst iresid= 1, iat= 39, 39, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="CG2", "H1", rk2=15.0, rk3=15.0, ir6=1, &end ; 159 2 160 52 parsed_2ktz 1 33 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CE1", "HA2B", rk2=15.0, rk3=15.0, ir6=1, &end ; 165 2 166 54 parsed_2ktz 1 34 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CE1", "HA2A", rk2=15.0, rk3=15.0, ir6=1, &end ; 170 2 171 54 parsed_2ktz 1 35 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CD1", "HA2A", rk2=15.0, rk3=15.0, ir6=1, &end ; 175 2 176 54 parsed_2ktz 1 36 ; &rst iresid= 1, iat= 39, 39, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CD1", "HA2B", rk2=15.0, rk3=15.0, ir6=1, &end ; 180 2 181 54 parsed_2ktz 1 37 ; &rst iresid= 1, iat= 39, 11, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5, atnam="CD1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 185 2 186 53 parsed_2ktz 1 38 ; &rst iresid= 1, iat= 39, 11, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5, atnam="CE1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 190 2 191 53 parsed_2ktz 1 39 ; &rst iresid= 1, iat= 39, 33, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5, atnam="CD1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 196 2 197 53 parsed_2ktz 1 40 ; &rst iresid= 1, iat= 39, 33, r1= 6, r2= 6.50, r3= 100.00, r4= 100.5, atnam="CE1", "H1'", rk2=15.0, rk3=15.0, ir6=1, &end ; 201 2 202 53 parsed_2ktz 1 41 ; &rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CE1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 206 2 207 52 parsed_2ktz 1 42 ; &rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CD1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 211 2 212 52 parsed_2ktz 1 43 ; &rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CE1", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 216 2 217 52 parsed_2ktz 1 44 ; &rst iresid= 1, iat= 39, 10, r1= 5.5, r2= 6.00, r3= 100.00, r4= 100.5, atnam="CD1", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 221 2 222 52 parsed_2ktz 1 45 ; &rst iresid= 1, iat= 39, 10, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="HB1B", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 227 2 228 53 parsed_2ktz 1 46 ; &rst iresid= 1, iat= 39, 10, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="HB1A", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 232 2 233 53 parsed_2ktz 1 47 ; &rst iresid= 1, iat= 39, 5, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="C10", "H8", rk2=15.0, rk3=15.0, ir6=1, &end ; 238 2 239 52 parsed_2ktz 1 48 ; &rst iresid= 1, iat= 39, 6, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="CA1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 245 2 246 52 parsed_2ktz 1 49 ; &rst iresid= 1, iat= 39, 6, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="CB1", "H2", rk2=15.0, rk3=15.0, ir6=1, &end ; 250 2 251 52 parsed_2ktz 1 50 ; &rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="HG1A", "H6", rk2=15.0, rk3=15.0, ir6=1, &end ; 255 2 256 53 parsed_2ktz 1 51 ; &rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="HG1B", "H6", rk2=15.0, rk3=15.0, ir6=1, &end ; 260 2 261 53 parsed_2ktz 1 52 ; &rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="HB1A", "H6", rk2=15.0, rk3=15.0, ir6=1, &end ; 265 2 266 53 parsed_2ktz 1 53 ; &rst iresid= 1, iat= 39, 9, r1= 4.5, r2= 5.00, r3= 100.00, r4= 100.5, atnam="HB1B", "H6", rk2=15.0, rk3=15.0, ir6=1, &end ; 270 2 271 53 parsed_2ktz 1 54 ; &rst iresid= 1, iat= 39, 9, r1= 5, r2= 5.50, r3= 100.00, r4= 100.5, atnam="CD1", "H6", rk2=15.0, rk3=15.0, ir6=1, &end ; 275 2 276 52 parsed_2ktz 1 55 ; &rst iresid= 1, iat= 39, 9, r1= 5, r2= 5.50, r3= 100.00, r4= 100.5, atnam="CE1", "H6", rk2=15.0, rk3=15.0, ir6=1, &end ; 280 2 281 52 parsed_2ktz 1 stop_ save_
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