NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
595425 |
2n5x   |
25740 | cing | 2-parsed | STAR | dipolar coupling | 58 |
data_2n5x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n5x
_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_2n5x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n5x
_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 2n5x "Master copy" parsed_2n5x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n5x
_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 2n5x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n5x 1
1 2n5x.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 90 parsed_2n5x 1
1 2n5x.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 58 parsed_2n5x 1
1 2n5x.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_2n5x 1
1 2n5x.mr . . DYANA/DIANA 5 distance NOE simple 0 parsed_2n5x 1
1 2n5x.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n5x 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2n5x
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . 4.590 . . 0.250 . . 288 GLY N . 288 GLY H parsed_2n5x 1
2 . . . . . . . . . . . . . . . . -1.140 . . 0.250 . . 290 GLY N . 290 GLY H parsed_2n5x 1
3 . . . . . . . . . . . . . . . . 0.490 . . 0.250 . . 291 GLY N . 291 GLY H parsed_2n5x 1
4 . . . . . . . . . . . . . . . . 9.490 . . 0.250 . . 292 LEU N . 292 LEU H parsed_2n5x 1
5 . . . . . . . . . . . . . . . . 6.850 . . 0.250 . . 293 ASP N . 293 ASP H parsed_2n5x 1
6 . . . . . . . . . . . . . . . . 0.640 . . 0.250 . . 296 GLU N . 296 GLU H parsed_2n5x 1
7 . . . . . . . . . . . . . . . . 1.070 . . 0.250 . . 297 VAL N . 297 VAL H parsed_2n5x 1
8 . . . . . . . . . . . . . . . . -2.820 . . 0.250 . . 298 TYR N . 298 TYR H parsed_2n5x 1
9 . . . . . . . . . . . . . . . . -4.990 . . 0.250 . . 299 GLU N . 299 GLU H parsed_2n5x 1
10 . . . . . . . . . . . . . . . . 6.53 . . 0.250 . . 300 SER N . 300 SER H parsed_2n5x 1
11 . . . . . . . . . . . . . . . . -6.040 . . 0.250 . . 301 LEU N . 301 LEU H parsed_2n5x 1
12 . . . . . . . . . . . . . . . . 9.54 . . 0.250 . . 303 GLU N . 303 GLU H parsed_2n5x 1
13 . . . . . . . . . . . . . . . . -0.100 . . 0.250 . . 304 GLU N . 304 GLU H parsed_2n5x 1
14 . . . . . . . . . . . . . . . . 7.640 . . 0.250 . . 306 GLN N . 306 GLN H parsed_2n5x 1
15 . . . . . . . . . . . . . . . . 8.160 . . 0.250 . . 309 PHE N . 309 PHE H parsed_2n5x 1
16 . . . . . . . . . . . . . . . . 2.9400 . . 0.250 . . 310 ASP N . 310 ASP H parsed_2n5x 1
17 . . . . . . . . . . . . . . . . -4.520 . . 0.250 . . 311 VAL N . 311 VAL H parsed_2n5x 1
18 . . . . . . . . . . . . . . . . 5.490 . . 0.250 . . 312 LYS N . 312 LYS H parsed_2n5x 1
19 . . . . . . . . . . . . . . . . 2.720 . . 0.250 . . 314 VAL N . 314 VAL H parsed_2n5x 1
20 . . . . . . . . . . . . . . . . -3.450 . . 0.250 . . 315 GLN N . 315 GLN H parsed_2n5x 1
21 . . . . . . . . . . . . . . . . -5.30 . . 0.250 . . 316 MET N . 316 MET H parsed_2n5x 1
22 . . . . . . . . . . . . . . . . 1.270 . . 0.250 . . 317 LEU N . 317 LEU H parsed_2n5x 1
23 . . . . . . . . . . . . . . . . -0.350 . . 0.250 . . 318 GLN N . 318 GLN H parsed_2n5x 1
24 . . . . . . . . . . . . . . . . -3.600 . . 0.250 . . 320 ALA N . 320 ALA H parsed_2n5x 1
25 . . . . . . . . . . . . . . . . 2.900 . . 0.250 . . 321 ILE N . 321 ILE H parsed_2n5x 1
26 . . . . . . . . . . . . . . . . -6.360 . . 0.250 . . 323 LYS N . 323 LYS H parsed_2n5x 1
27 . . . . . . . . . . . . . . . . 9.430 . . 0.250 . . 325 ASP N . 325 ASP H parsed_2n5x 1
28 . . . . . . . . . . . . . . . . 1.810 . . 0.250 . . 327 THR N . 327 THR H parsed_2n5x 1
29 . . . . . . . . . . . . . . . . -5.430 . . 0.250 . . 328 ASP N . 328 ASP H parsed_2n5x 1
30 . . . . . . . . . . . . . . . . -5.550 . . 0.250 . . 329 ALA N . 329 ALA H parsed_2n5x 1
31 . . . . . . . . . . . . . . . . -2.470 . . 0.250 . . 331 TYR N . 331 TYR H parsed_2n5x 1
32 . . . . . . . . . . . . . . . . -4.920 . . 0.250 . . 332 HIS N . 332 HIS H parsed_2n5x 1
33 . . . . . . . . . . . . . . . . -5.960 . . 0.250 . . 333 MET N . 333 MET H parsed_2n5x 1
34 . . . . . . . . . . . . . . . . -0.910 . . 0.250 . . 334 GLN N . 334 GLN H parsed_2n5x 1
35 . . . . . . . . . . . . . . . . -2.940 . . 0.250 . . 335 ARG N . 335 ARG H parsed_2n5x 1
36 . . . . . . . . . . . . . . . . -4.020 . . 0.250 . . 336 CYS N . 336 CYS H parsed_2n5x 1
37 . . . . . . . . . . . . . . . . -2.020 . . 0.250 . . 338 ASP N . 338 ASP H parsed_2n5x 1
38 . . . . . . . . . . . . . . . . -4.780 . . 0.250 . . 339 SER N . 339 SER H parsed_2n5x 1
39 . . . . . . . . . . . . . . . . -6.030 . . 0.250 . . 340 GLY N . 340 GLY H parsed_2n5x 1
40 . . . . . . . . . . . . . . . . -7.460 . . 0.250 . . 342 TRP N . 342 TRP H parsed_2n5x 1
41 . . . . . . . . . . . . . . . . -7.810 . . 0.250 . . 343 VAL N . 343 VAL H parsed_2n5x 1
42 . . . . . . . . . . . . . . . . 1.260 . . 0.250 . . 349 SER N . 349 SER H parsed_2n5x 1
43 . . . . . . . . . . . . . . . . -1.630 . . 0.250 . . 351 ALA N . 351 ALA H parsed_2n5x 1
44 . . . . . . . . . . . . . . . . 0.000 . . 0.250 . . 353 GLU N . 353 GLU H parsed_2n5x 1
45 . . . . . . . . . . . . . . . . -2.950 . . 0.250 . . 354 GLY N . 354 GLY H parsed_2n5x 1
46 . . . . . . . . . . . . . . . . -1.650 . . 0.250 . . 356 GLU N . 356 GLU H parsed_2n5x 1
47 . . . . . . . . . . . . . . . . -0.990 . . 0.250 . . 357 ALA N . 357 ALA H parsed_2n5x 1
48 . . . . . . . . . . . . . . . . -1.560 . . 0.250 . . 358 GLY N . 358 GLY H parsed_2n5x 1
49 . . . . . . . . . . . . . . . . -0.780 . . 0.250 . . 360 GLY N . 360 GLY H parsed_2n5x 1
50 . . . . . . . . . . . . . . . . -3.540 . . 0.250 . . 361 ASP N . 361 ASP H parsed_2n5x 1
51 . . . . . . . . . . . . . . . . 0.330 . . 0.250 . . 363 LEU N . 363 LEU H parsed_2n5x 1
52 . . . . . . . . . . . . . . . . 0.700 . . 0.250 . . 364 LEU N . 364 LEU H parsed_2n5x 1
53 . . . . . . . . . . . . . . . . -2.240 . . 0.250 . . 365 GLU N . 365 GLU H parsed_2n5x 1
54 . . . . . . . . . . . . . . . . -4.510 . . 0.250 . . 366 ALA N . 366 ALA H parsed_2n5x 1
55 . . . . . . . . . . . . . . . . -0.970 . . 0.250 . . 370 THR N . 370 THR H parsed_2n5x 1
56 . . . . . . . . . . . . . . . . -1.310 . . 0.250 . . 371 GLY N . 371 GLY H parsed_2n5x 1
57 . . . . . . . . . . . . . . . . -1.060 . . 0.250 . . 372 ASP N . 372 ASP H parsed_2n5x 1
58 . . . . . . . . . . . . . . . . 0.190 . . 0.250 . . 377 SER N . 377 SER H parsed_2n5x 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 "Tensor Magnitude Rhombicity Residue" 1 1 1 36 parsed_2n5x 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
;
1 3.756 0.143 390
#First atom Second atom RDC Error Weight Tensor
;
2 7 3 64 parsed_2n5x 1
2 1 4 61 4 62 parsed_2n5x 1
3 1 5 61 5 62 parsed_2n5x 1
4 1 6 61 6 62 parsed_2n5x 1
5 1 7 61 7 62 parsed_2n5x 1
6 1 8 61 8 62 parsed_2n5x 1
7 1 9 61 9 62 parsed_2n5x 1
8 1 10 61 10 62 parsed_2n5x 1
9 1 11 61 11 62 parsed_2n5x 1
10 1 12 61 12 62 parsed_2n5x 1
11 1 13 61 13 62 parsed_2n5x 1
12 1 14 61 14 62 parsed_2n5x 1
13 1 15 61 15 62 parsed_2n5x 1
14 1 16 61 16 62 parsed_2n5x 1
15 1 17 61 17 62 parsed_2n5x 1
16 1 18 61 18 62 parsed_2n5x 1
17 1 19 62 19 63 parsed_2n5x 1
18 1 20 61 20 62 parsed_2n5x 1
19 1 21 61 21 62 parsed_2n5x 1
20 1 22 61 22 62 parsed_2n5x 1
21 1 23 61 23 62 parsed_2n5x 1
22 1 24 61 24 62 parsed_2n5x 1
23 1 25 61 25 62 parsed_2n5x 1
24 1 26 61 26 62 parsed_2n5x 1
25 1 27 61 27 62 parsed_2n5x 1
26 1 28 61 28 62 parsed_2n5x 1
27 1 29 61 29 62 parsed_2n5x 1
28 1 30 61 30 62 parsed_2n5x 1
29 1 31 61 31 62 parsed_2n5x 1
30 1 32 61 32 62 parsed_2n5x 1
31 1 33 61 33 62 parsed_2n5x 1
32 1 34 61 34 62 parsed_2n5x 1
33 1 35 61 35 62 parsed_2n5x 1
34 1 36 61 36 62 parsed_2n5x 1
35 1 37 61 37 62 parsed_2n5x 1
36 1 38 61 38 62 parsed_2n5x 1
37 1 39 61 39 62 parsed_2n5x 1
38 1 40 61 40 62 parsed_2n5x 1
39 1 41 61 41 62 parsed_2n5x 1
40 1 42 61 42 62 parsed_2n5x 1
41 1 43 61 43 62 parsed_2n5x 1
42 1 44 61 44 62 parsed_2n5x 1
43 1 45 61 45 62 parsed_2n5x 1
44 1 46 61 46 62 parsed_2n5x 1
45 1 47 61 47 62 parsed_2n5x 1
46 1 48 61 48 62 parsed_2n5x 1
47 1 49 61 49 62 parsed_2n5x 1
48 1 50 61 50 62 parsed_2n5x 1
49 1 51 61 51 62 parsed_2n5x 1
50 1 52 61 52 62 parsed_2n5x 1
51 1 53 61 53 62 parsed_2n5x 1
52 1 54 61 54 62 parsed_2n5x 1
53 1 55 61 55 62 parsed_2n5x 1
54 1 56 61 56 62 parsed_2n5x 1
55 1 57 61 57 62 parsed_2n5x 1
56 1 58 61 58 62 parsed_2n5x 1
57 1 59 61 59 62 parsed_2n5x 1
58 1 60 61 60 62 parsed_2n5x 1
59 1 61 61 61 62 parsed_2n5x 1
stop_
save_
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