NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
52116 |
2kdd   |
16110 | cing | 2-parsed | STAR | dipolar coupling | 80 |
data_2kdd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kdd
_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_2kdd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kdd
_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 2kdd "Master copy" parsed_2kdd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kdd
_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 2kdd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kdd 1
1 2kdd.mr . . XPLOR/CNS 2 distance NOE ambi 3800 parsed_2kdd 1
1 2kdd.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 172 parsed_2kdd 1
1 2kdd.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 80 parsed_2kdd 1
1 2kdd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kdd 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kdd
_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 . . . . . . . . . . . . . . . . 0.090 . . . . " A" 227 . N " A" 227 . HN parsed_2kdd 1
2 . . . . . . . . . . . . . . . . -20.060 . . . . " A" 228 . N " A" 228 . HN parsed_2kdd 1
3 . . . . . . . . . . . . . . . . -23.110 . . . . " A" 229 . N " A" 229 . HN parsed_2kdd 1
4 . . . . . . . . . . . . . . . . -20.260 . . . . " A" 230 . N " A" 230 . HN parsed_2kdd 1
5 . . . . . . . . . . . . . . . . -16.620 . . . . " A" 231 . N " A" 231 . HN parsed_2kdd 1
6 . . . . . . . . . . . . . . . . 5.530 . . . . " A" 233 . N " A" 233 . HN parsed_2kdd 1
7 . . . . . . . . . . . . . . . . 1.450 . . . . " A" 234 . N " A" 234 . HN parsed_2kdd 1
8 . . . . . . . . . . . . . . . . 6.370 . . . . " A" 237 . N " A" 237 . HN parsed_2kdd 1
9 . . . . . . . . . . . . . . . . -2.720 . . . . " A" 238 . N " A" 238 . HN parsed_2kdd 1
10 . . . . . . . . . . . . . . . . -8.640 . . . . " A" 239 . N " A" 239 . HN parsed_2kdd 1
11 . . . . . . . . . . . . . . . . -14.000 . . . . " A" 240 . N " A" 240 . HN parsed_2kdd 1
12 . . . . . . . . . . . . . . . . -22.010 . . . . " A" 241 . N " A" 241 . HN parsed_2kdd 1
13 . . . . . . . . . . . . . . . . -11.980 . . . . " A" 245 . N " A" 245 . HN parsed_2kdd 1
14 . . . . . . . . . . . . . . . . -1.440 . . . . " A" 249 . N " A" 249 . HN parsed_2kdd 1
15 . . . . . . . . . . . . . . . . 13.040 . . . . " A" 250 . N " A" 250 . HN parsed_2kdd 1
16 . . . . . . . . . . . . . . . . -0.800 . . . . " A" 251 . N " A" 251 . HN parsed_2kdd 1
17 . . . . . . . . . . . . . . . . 3.300 . . . . " A" 252 . N " A" 252 . HN parsed_2kdd 1
18 . . . . . . . . . . . . . . . . 18.800 . . . . " A" 253 . N " A" 253 . HN parsed_2kdd 1
19 . . . . . . . . . . . . . . . . 9.130 . . . . " A" 254 . N " A" 254 . HN parsed_2kdd 1
20 . . . . . . . . . . . . . . . . 4.230 . . . . " A" 255 . N " A" 255 . HN parsed_2kdd 1
21 . . . . . . . . . . . . . . . . 3.480 . . . . " A" 257 . N " A" 257 . HN parsed_2kdd 1
22 . . . . . . . . . . . . . . . . -1.150 . . . . " A" 258 . N " A" 258 . HN parsed_2kdd 1
23 . . . . . . . . . . . . . . . . 11.040 . . . . " A" 259 . N " A" 259 . HN parsed_2kdd 1
24 . . . . . . . . . . . . . . . . 14.600 . . . . " A" 260 . N " A" 260 . HN parsed_2kdd 1
25 . . . . . . . . . . . . . . . . 5.430 . . . . " A" 261 . N " A" 261 . HN parsed_2kdd 1
26 . . . . . . . . . . . . . . . . 16.190 . . . . " A" 263 . N " A" 263 . HN parsed_2kdd 1
27 . . . . . . . . . . . . . . . . 13.120 . . . . " A" 264 . N " A" 264 . HN parsed_2kdd 1
28 . . . . . . . . . . . . . . . . 4.480 . . . . " A" 265 . N " A" 265 . HN parsed_2kdd 1
29 . . . . . . . . . . . . . . . . 10.800 . . . . " A" 266 . N " A" 266 . HN parsed_2kdd 1
30 . . . . . . . . . . . . . . . . 16.810 . . . . " A" 267 . N " A" 267 . HN parsed_2kdd 1
31 . . . . . . . . . . . . . . . . 11.680 . . . . " A" 268 . N " A" 268 . HN parsed_2kdd 1
32 . . . . . . . . . . . . . . . . 6.190 . . . . " A" 269 . N " A" 269 . HN parsed_2kdd 1
33 . . . . . . . . . . . . . . . . 16.500 . . . . " A" 270 . N " A" 270 . HN parsed_2kdd 1
34 . . . . . . . . . . . . . . . . 17.230 . . . . " A" 271 . N " A" 271 . HN parsed_2kdd 1
35 . . . . . . . . . . . . . . . . 8.560 . . . . " A" 272 . N " A" 272 . HN parsed_2kdd 1
36 . . . . . . . . . . . . . . . . 11.280 . . . . " A" 273 . N " A" 273 . HN parsed_2kdd 1
37 . . . . . . . . . . . . . . . . 16.750 . . . . " A" 274 . N " A" 274 . HN parsed_2kdd 1
38 . . . . . . . . . . . . . . . . 7.790 . . . . " A" 275 . N " A" 275 . HN parsed_2kdd 1
39 . . . . . . . . . . . . . . . . -5.140 . . . . " A" 276 . N " A" 276 . HN parsed_2kdd 1
40 . . . . . . . . . . . . . . . . -9.610 . . . . " A" 277 . N " A" 277 . HN parsed_2kdd 1
41 . . . . . . . . . . . . . . . . 0.090 . . . . " B" 227 . N " B" 227 . HN parsed_2kdd 1
42 . . . . . . . . . . . . . . . . -20.060 . . . . " B" 228 . N " B" 228 . HN parsed_2kdd 1
43 . . . . . . . . . . . . . . . . -23.110 . . . . " B" 229 . N " B" 229 . HN parsed_2kdd 1
44 . . . . . . . . . . . . . . . . -20.260 . . . . " B" 230 . N " B" 230 . HN parsed_2kdd 1
45 . . . . . . . . . . . . . . . . -16.620 . . . . " B" 231 . N " B" 231 . HN parsed_2kdd 1
46 . . . . . . . . . . . . . . . . 5.530 . . . . " B" 233 . N " B" 233 . HN parsed_2kdd 1
47 . . . . . . . . . . . . . . . . 1.450 . . . . " B" 234 . N " B" 234 . HN parsed_2kdd 1
48 . . . . . . . . . . . . . . . . 6.370 . . . . " B" 237 . N " B" 237 . HN parsed_2kdd 1
49 . . . . . . . . . . . . . . . . -2.720 . . . . " B" 238 . N " B" 238 . HN parsed_2kdd 1
50 . . . . . . . . . . . . . . . . -8.640 . . . . " B" 239 . N " B" 239 . HN parsed_2kdd 1
51 . . . . . . . . . . . . . . . . -14.000 . . . . " B" 240 . N " B" 240 . HN parsed_2kdd 1
52 . . . . . . . . . . . . . . . . -22.010 . . . . " B" 241 . N " B" 241 . HN parsed_2kdd 1
53 . . . . . . . . . . . . . . . . -11.980 . . . . " B" 245 . N " B" 245 . HN parsed_2kdd 1
54 . . . . . . . . . . . . . . . . -1.440 . . . . " B" 249 . N " B" 249 . HN parsed_2kdd 1
55 . . . . . . . . . . . . . . . . 13.040 . . . . " B" 250 . N " B" 250 . HN parsed_2kdd 1
56 . . . . . . . . . . . . . . . . -0.800 . . . . " B" 251 . N " B" 251 . HN parsed_2kdd 1
57 . . . . . . . . . . . . . . . . 3.300 . . . . " B" 252 . N " B" 252 . HN parsed_2kdd 1
58 . . . . . . . . . . . . . . . . 18.800 . . . . " B" 253 . N " B" 253 . HN parsed_2kdd 1
59 . . . . . . . . . . . . . . . . 9.130 . . . . " B" 254 . N " B" 254 . HN parsed_2kdd 1
60 . . . . . . . . . . . . . . . . 4.230 . . . . " B" 255 . N " B" 255 . HN parsed_2kdd 1
61 . . . . . . . . . . . . . . . . 3.480 . . . . " B" 257 . N " B" 257 . HN parsed_2kdd 1
62 . . . . . . . . . . . . . . . . -1.150 . . . . " B" 258 . N " B" 258 . HN parsed_2kdd 1
63 . . . . . . . . . . . . . . . . 11.040 . . . . " B" 259 . N " B" 259 . HN parsed_2kdd 1
64 . . . . . . . . . . . . . . . . 14.600 . . . . " B" 260 . N " B" 260 . HN parsed_2kdd 1
65 . . . . . . . . . . . . . . . . 5.430 . . . . " B" 261 . N " B" 261 . HN parsed_2kdd 1
66 . . . . . . . . . . . . . . . . 16.190 . . . . " B" 263 . N " B" 263 . HN parsed_2kdd 1
67 . . . . . . . . . . . . . . . . 13.120 . . . . " B" 264 . N " B" 264 . HN parsed_2kdd 1
68 . . . . . . . . . . . . . . . . 4.480 . . . . " B" 265 . N " B" 265 . HN parsed_2kdd 1
69 . . . . . . . . . . . . . . . . 10.800 . . . . " B" 266 . N " B" 266 . HN parsed_2kdd 1
70 . . . . . . . . . . . . . . . . 16.810 . . . . " B" 267 . N " B" 267 . HN parsed_2kdd 1
71 . . . . . . . . . . . . . . . . 11.680 . . . . " B" 268 . N " B" 268 . HN parsed_2kdd 1
72 . . . . . . . . . . . . . . . . 6.190 . . . . " B" 269 . N " B" 269 . HN parsed_2kdd 1
73 . . . . . . . . . . . . . . . . 16.500 . . . . " B" 270 . N " B" 270 . HN parsed_2kdd 1
74 . . . . . . . . . . . . . . . . 17.230 . . . . " B" 271 . N " B" 271 . HN parsed_2kdd 1
75 . . . . . . . . . . . . . . . . 8.560 . . . . " B" 272 . N " B" 272 . HN parsed_2kdd 1
76 . . . . . . . . . . . . . . . . 11.280 . . . . " B" 273 . N " B" 273 . HN parsed_2kdd 1
77 . . . . . . . . . . . . . . . . 16.750 . . . . " B" 274 . N " B" 274 . HN parsed_2kdd 1
78 . . . . . . . . . . . . . . . . 7.790 . . . . " B" 275 . N " B" 275 . HN parsed_2kdd 1
79 . . . . . . . . . . . . . . . . -5.140 . . . . " B" 276 . N " B" 276 . HN parsed_2kdd 1
80 . . . . . . . . . . . . . . . . -9.610 . . . . " B" 277 . N " B" 277 . HN parsed_2kdd 1
stop_
save_
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