NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
36927 |
1oo9   |
5154 | cing | 2-parsed | STAR | entry | full | 151 |
data_1oo9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1oo9
_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_1oo9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1oo9
_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 1oo9 "Master copy" parsed_1oo9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1oo9
_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 1oo9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1oo9 1
1 1oo9.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1oo9 1
1 1oo9.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 102 parsed_1oo9 1
1 1oo9.mr . . XPLOR/CNS 4 distance NOE simple 49 parsed_1oo9 1
1 1oo9.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1oo9 1
1 1oo9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1oo9 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1oo9
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER HYDROLASE 03-MAR-03 1OO9
*TITLE ORIENTATION IN SOLUTION OF MMP-3 CATALYTIC DOMAIN AND N-
*TITLE 2 TIMP-1 FROM RESIDUAL DIPOLAR COUPLINGS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: STROMELYSIN-1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: CATALYTIC DOMAIN;
*COMPND 5 SYNONYM: MATRIX METALLOPROTEINASE-3, MMP-3, TRANSIN-1, SL-
*COMPND 6 1;
*COMPND 7 EC: 3.4.24.17;
*COMPND 8 ENGINEERED: YES;
*COMPND 9 MOL_ID: 2;
*COMPND 10 MOLECULE: METALLOPROTEINASE INHIBITOR 1;
*COMPND 11 CHAIN: B;
*COMPND 12 FRAGMENT: N-TERMINAL DOMAIN;
*COMPND 13 SYNONYM: TIMP-1, ERYTHROID POTENTIATING ACTIVITY, EPA,
*COMPND 14 TISSUE INHIBITOR OF METALLOPROTEINASES, FIBROBLAST
*COMPND 15 COLLAGENASE INHIBITOR, COLLAGENASE INHIBITOR;
*COMPND 16 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 GENE: MMP3 OR STMY1;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEMEX-MMP-3(DC)E202Q;
*SOURCE 10 MOL_ID: 2;
*SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 12 ORGANISM_COMMON: HUMAN;
*SOURCE 13 GENE: TIMP1 OR TIMP OR CLGI;
*SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 15 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 16 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 18 EXPRESSION_SYSTEM_PLASMID: PET3A-N-TIMP-1
*KEYWDS PROTEIN-PROTEIN COMPLEX
*EXPDTA NMR
*AUTHOR S.ARUMUGAM, S.R.VAN DOREN
*REVDAT 1 29-JUL-03 1OO9 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1oo9
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment -------------------------------------------------------
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1oo9
_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 . . . . . . . . . . . . . . . . -22.1740 . . . . . 302 . N . 302 . HN parsed_1oo9 1
2 . . . . . . . . . . . . . . . . -16.601 . . . . . 303 . N . 303 . HN parsed_1oo9 1
3 . . . . . . . . . . . . . . . . -10.894 . . . . . 304 . N . 304 . HN parsed_1oo9 1
4 . . . . . . . . . . . . . . . . 2.6930 . . . . . 310 . N . 310 . HN parsed_1oo9 1
5 . . . . . . . . . . . . . . . . -21.2730 . . . . . 311 . N . 311 . HN parsed_1oo9 1
6 . . . . . . . . . . . . . . . . -30.8850 . . . . . 312 . N . 312 . HN parsed_1oo9 1
7 . . . . . . . . . . . . . . . . -9.4850 . . . . . 313 . N . 313 . HN parsed_1oo9 1
8 . . . . . . . . . . . . . . . . -13.4550 . . . . . 314 . N . 314 . HN parsed_1oo9 1
9 . . . . . . . . . . . . . . . . -18.3250 . . . . . 315 . N . 315 . HN parsed_1oo9 1
10 . . . . . . . . . . . . . . . . 44.479 . . . . . 317 . N . 317 . HN parsed_1oo9 1
11 . . . . . . . . . . . . . . . . 45.7550 . . . . . 318 . N . 318 . HN parsed_1oo9 1
12 . . . . . . . . . . . . . . . . 21.7870 . . . . . 321 . N . 321 . HN parsed_1oo9 1
13 . . . . . . . . . . . . . . . . 10.1270 . . . . . 322 . N . 322 . HN parsed_1oo9 1
14 . . . . . . . . . . . . . . . . -18.5850 . . . . . 323 . N . 323 . HN parsed_1oo9 1
15 . . . . . . . . . . . . . . . . -20.5080 . . . . . 324 . N . 324 . HN parsed_1oo9 1
16 . . . . . . . . . . . . . . . . 10.5090 . . . . . 328 . N . 328 . HN parsed_1oo9 1
17 . . . . . . . . . . . . . . . . 6.4090 . . . . . 329 . N . 329 . HN parsed_1oo9 1
18 . . . . . . . . . . . . . . . . -18.7750 . . . . . 334 . N . 334 . HN parsed_1oo9 1
19 . . . . . . . . . . . . . . . . -13.4610 . . . . . 335 . N . 335 . HN parsed_1oo9 1
20 . . . . . . . . . . . . . . . . -17.8150 . . . . . 336 . N . 336 . HN parsed_1oo9 1
21 . . . . . . . . . . . . . . . . -14.7410 . . . . . 337 . N . 337 . HN parsed_1oo9 1
22 . . . . . . . . . . . . . . . . -5.6430 . . . . . 338 . N . 338 . HN parsed_1oo9 1
23 . . . . . . . . . . . . . . . . 6.9230 . . . . . 339 . N . 339 . HN parsed_1oo9 1
24 . . . . . . . . . . . . . . . . -9.4840 . . . . . 340 . N . 340 . HN parsed_1oo9 1
25 . . . . . . . . . . . . . . . . -0.1300 . . . . . 341 . N . 341 . HN parsed_1oo9 1
26 . . . . . . . . . . . . . . . . -22.8160 . . . . . 342 . N . 342 . HN parsed_1oo9 1
27 . . . . . . . . . . . . . . . . 26.0190 . . . . . 343 . N . 343 . HN parsed_1oo9 1
28 . . . . . . . . . . . . . . . . 48.4520 . . . . . 345 . N . 345 . HN parsed_1oo9 1
29 . . . . . . . . . . . . . . . . 36.1470 . . . . . 346 . N . 346 . HN parsed_1oo9 1
30 . . . . . . . . . . . . . . . . 7.1780 . . . . . 347 . N . 347 . HN parsed_1oo9 1
31 . . . . . . . . . . . . . . . . 6.0200 . . . . . 348 . N . 348 . HN parsed_1oo9 1
32 . . . . . . . . . . . . . . . . -23.9680 . . . . . 359 . N . 359 . HN parsed_1oo9 1
33 . . . . . . . . . . . . . . . . 0.6420 . . . . . 360 . N . 360 . HN parsed_1oo9 1
34 . . . . . . . . . . . . . . . . -1.9270 . . . . . 361 . N . 361 . HN parsed_1oo9 1
35 . . . . . . . . . . . . . . . . -15.6360 . . . . . 363 . N . 363 . HN parsed_1oo9 1
36 . . . . . . . . . . . . . . . . 25.2480 . . . . . 370 . N . 370 . HN parsed_1oo9 1
37 . . . . . . . . . . . . . . . . -15.8940 . . . . . 373 . N . 373 . HN parsed_1oo9 1
38 . . . . . . . . . . . . . . . . -30.2500 . . . . . 374 . N . 374 . HN parsed_1oo9 1
39 . . . . . . . . . . . . . . . . 29.8650 . . . . . 381 . N . 381 . HN parsed_1oo9 1
40 . . . . . . . . . . . . . . . . -25.3790 . . . . . 382 . N . 382 . HN parsed_1oo9 1
41 . . . . . . . . . . . . . . . . -12.8190 . . . . . 383 . N . 383 . HN parsed_1oo9 1
42 . . . . . . . . . . . . . . . . 13.4600 . . . . . 384 . N . 384 . HN parsed_1oo9 1
43 . . . . . . . . . . . . . . . . 36.0160 . . . . . 386 . N . 386 . HN parsed_1oo9 1
44 . . . . . . . . . . . . . . . . 49.4750 . . . . . 387 . N . 387 . HN parsed_1oo9 1
45 . . . . . . . . . . . . . . . . -5.5130 . . . . . 389 . N . 389 . HN parsed_1oo9 1
46 . . . . . . . . . . . . . . . . -20.1270 . . . . . 391 . N . 391 . HN parsed_1oo9 1
47 . . . . . . . . . . . . . . . . -1.0260 . . . . . 394 . N . 394 . HN parsed_1oo9 1
48 . . . . . . . . . . . . . . . . -4.2260 . . . . . 395 . N . 395 . HN parsed_1oo9 1
49 . . . . . . . . . . . . . . . . -11.412 . . . . . 396 . N . 396 . HN parsed_1oo9 1
50 . . . . . . . . . . . . . . . . -9.7290 . . . . . 397 . N . 397 . HN parsed_1oo9 1
51 . . . . . . . . . . . . . . . . -0.1270 . . . . . 398 . N . 398 . HN parsed_1oo9 1
52 . . . . . . . . . . . . . . . . -29.4830 . . . . . 399 . N . 399 . HN parsed_1oo9 1
53 . . . . . . . . . . . . . . . . -13.4500 . . . . . 400 . N . 400 . HN parsed_1oo9 1
54 . . . . . . . . . . . . . . . . 1.5370 . . . . . 401 . N . 401 . HN parsed_1oo9 1
55 . . . . . . . . . . . . . . . . 33.3270 . . . . . 402 . N . 402 . HN parsed_1oo9 1
56 . . . . . . . . . . . . . . . . 38.9620 . . . . . 403 . N . 403 . HN parsed_1oo9 1
57 . . . . . . . . . . . . . . . . -24.5830 . . . . . 405 . N . 405 . HN parsed_1oo9 1
58 . . . . . . . . . . . . . . . . -18.9720 . . . . . 406 . N . 406 . HN parsed_1oo9 1
59 . . . . . . . . . . . . . . . . -28.9280 . . . . . 407 . N . 407 . HN parsed_1oo9 1
60 . . . . . . . . . . . . . . . . -0.0010 . . . . . 409 . N . 409 . HN parsed_1oo9 1
61 . . . . . . . . . . . . . . . . -20.3780 . . . . . 410 . N . 410 . HN parsed_1oo9 1
62 . . . . . . . . . . . . . . . . 12.0330 . . . . . 411 . N . 411 . HN parsed_1oo9 1
63 . . . . . . . . . . . . . . . . -6.0210 . . . . . 412 . N . 412 . HN parsed_1oo9 1
64 . . . . . . . . . . . . . . . . -18.2030 . . . . . 413 . N . 413 . HN parsed_1oo9 1
65 . . . . . . . . . . . . . . . . -13.5770 . . . . . 414 . N . 414 . HN parsed_1oo9 1
66 . . . . . . . . . . . . . . . . 11.9200 . . . . . 415 . N . 415 . HN parsed_1oo9 1
67 . . . . . . . . . . . . . . . . -2.0560 . . . . . 416 . N . 416 . HN parsed_1oo9 1
68 . . . . . . . . . . . . . . . . -16.6650 . . . . . 417 . N . 417 . HN parsed_1oo9 1
69 . . . . . . . . . . . . . . . . 17.1740 . . . . . 418 . N . 418 . HN parsed_1oo9 1
70 . . . . . . . . . . . . . . . . -12.1720 . . . . . 419 . N . 419 . HN parsed_1oo9 1
71 . . . . . . . . . . . . . . . . -13.0740 . . . . . 420 . N . 420 . HN parsed_1oo9 1
72 . . . . . . . . . . . . . . . . -5.5150 . . . . . 421 . N . 421 . HN parsed_1oo9 1
73 . . . . . . . . . . . . . . . . -17.9420 . . . . . 422 . N . 422 . HN parsed_1oo9 1
74 . . . . . . . . . . . . . . . . -10.8990 . . . . . 423 . N . 423 . HN parsed_1oo9 1
75 . . . . . . . . . . . . . . . . 21.7880 . . . . . 424 . N . 424 . HN parsed_1oo9 1
76 . . . . . . . . . . . . . . . . 35.6340 . . . . . 101 . N . 101 . HN parsed_1oo9 1
77 . . . . . . . . . . . . . . . . 43.8330 . . . . . 144 . N . 144 . HN parsed_1oo9 1
78 . . . . . . . . . . . . . . . . -6.9190 . . . . . 174 . N . 174 . HN parsed_1oo9 1
79 . . . . . . . . . . . . . . . . -3.4600 . . . . . 102 . N . 102 . HN parsed_1oo9 1
80 . . . . . . . . . . . . . . . . -23.7100 . . . . . 113 . N . 113 . HN parsed_1oo9 1
81 . . . . . . . . . . . . . . . . -19.0980 . . . . . 117 . N . 117 . HN parsed_1oo9 1
82 . . . . . . . . . . . . . . . . 6.4090 . . . . . 127 . N . 127 . HN parsed_1oo9 1
83 . . . . . . . . . . . . . . . . -33.4550 . . . . . 148 . N . 148 . HN parsed_1oo9 1
84 . . . . . . . . . . . . . . . . -27.9390 . . . . . 198 . N . 198 . HN parsed_1oo9 1
85 . . . . . . . . . . . . . . . . -11.0230 . . . . . 222 . N . 222 . HN parsed_1oo9 1
86 . . . . . . . . . . . . . . . . -32.3030 . . . . . 108 . N . 108 . HN parsed_1oo9 1
87 . . . . . . . . . . . . . . . . -7.1770 . . . . . 130 . N . 130 . HN parsed_1oo9 1
88 . . . . . . . . . . . . . . . . -14.7400 . . . . . 245 . N . 245 . HN parsed_1oo9 1
89 . . . . . . . . . . . . . . . . -12.8190 . . . . . 197 . N . 197 . HN parsed_1oo9 1
90 . . . . . . . . . . . . . . . . 41.9980 . . . . . 234 . N . 234 . HN parsed_1oo9 1
91 . . . . . . . . . . . . . . . . 36.6570 . . . . . 135 . N . 135 . HN parsed_1oo9 1
92 . . . . . . . . . . . . . . . . -11.9140 . . . . . 229 . N . 229 . HN parsed_1oo9 1
93 . . . . . . . . . . . . . . . . -31.0170 . . . . . 97 . N . 97 . HN parsed_1oo9 1
94 . . . . . . . . . . . . . . . . -16.4070 . . . . . 195 . N . 195 . HN parsed_1oo9 1
95 . . . . . . . . . . . . . . . . -27.4516 . . . . . 108 . CA . 108 . HA parsed_1oo9 1
96 . . . . . . . . . . . . . . . . -12.5129 . . . . . 226 . CA . 226 . HA parsed_1oo9 1
97 . . . . . . . . . . . . . . . . -13.6681 . . . . . 130 . CA . 130 . HA parsed_1oo9 1
98 . . . . . . . . . . . . . . . . 20.0921 . . . . . 234 . CA . 234 . HA parsed_1oo9 1
99 . . . . . . . . . . . . . . . . -4.7953 . . . . . 229 . CA . 229 . HA parsed_1oo9 1
100 . . . . . . . . . . . . . . . . 2.8198 . . . . . 121 . CA . 121 . HA parsed_1oo9 1
101 . . . . . . . . . . . . . . . . 17.8743 . . . . . 197 . CA . 197 . HA parsed_1oo9 1
102 . . . . . . . . . . . . . . . . -13.4872 . . . . . 245 . CA . 245 . HA parsed_1oo9 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 "N-H couplings from specifically labeled MMP-3" 526 1 526 47 parsed_1oo9 1
2 "CH dipolar coupling from MMP-3" 661 1 661 32 parsed_1oo9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1oo9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_1oo9 1
2 1 . . . parsed_1oo9 1
3 1 . . . parsed_1oo9 1
4 1 . . . parsed_1oo9 1
5 1 . . . parsed_1oo9 1
6 1 . . . parsed_1oo9 1
7 1 . . . parsed_1oo9 1
8 1 . . . parsed_1oo9 1
9 1 . . . parsed_1oo9 1
10 1 . . . parsed_1oo9 1
11 1 . . . parsed_1oo9 1
12 1 . . . parsed_1oo9 1
13 1 . . . parsed_1oo9 1
14 1 . . . parsed_1oo9 1
15 1 . . . parsed_1oo9 1
16 1 . . . parsed_1oo9 1
17 1 . . . parsed_1oo9 1
18 1 . . . parsed_1oo9 1
19 1 . . . parsed_1oo9 1
20 1 . . . parsed_1oo9 1
21 1 . . . parsed_1oo9 1
22 1 . . . parsed_1oo9 1
23 1 . . . parsed_1oo9 1
24 1 . . . parsed_1oo9 1
25 1 . . . parsed_1oo9 1
26 1 . . . parsed_1oo9 1
27 1 . . . parsed_1oo9 1
28 1 . . . parsed_1oo9 1
29 1 . . . parsed_1oo9 1
30 1 . . . parsed_1oo9 1
31 1 . . . parsed_1oo9 1
32 1 . . . parsed_1oo9 1
33 1 . . . parsed_1oo9 1
34 1 . . . parsed_1oo9 1
35 1 . . . parsed_1oo9 1
36 1 . . . parsed_1oo9 1
37 1 . . . parsed_1oo9 1
38 1 . . . parsed_1oo9 1
39 1 . . . parsed_1oo9 1
40 1 . . . parsed_1oo9 1
41 1 . . . parsed_1oo9 1
42 1 . . . parsed_1oo9 1
43 1 . . . parsed_1oo9 1
44 1 . . . parsed_1oo9 1
45 1 . . . parsed_1oo9 1
46 1 . . . parsed_1oo9 1
47 1 . . . parsed_1oo9 1
48 1 . . . parsed_1oo9 1
49 1 . . . parsed_1oo9 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 . . . . . . . . . 302 . HN parsed_1oo9 1
1 1 2 . . . . . . . . . 163 . HA parsed_1oo9 1
2 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
2 1 2 . . . . . . . . . 198 . HA parsed_1oo9 1
3 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
3 1 2 . . . . . . . . . 166 . HB# parsed_1oo9 1
4 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
4 1 2 . . . . . . . . . 165 . HB# parsed_1oo9 1
5 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
5 1 2 . . . . . . . . . 164 . HD# parsed_1oo9 1
6 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
6 1 2 . . . . . . . . . 202 . HA parsed_1oo9 1
7 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
7 1 2 . . . . . . . . . 166 . HA parsed_1oo9 1
8 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
8 1 2 . . . . . . . . . 211 . HE# parsed_1oo9 1
9 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
9 1 2 . . . . . . . . . 201 . HD2 parsed_1oo9 1
10 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
10 1 2 . . . . . . . . . 165 . HN parsed_1oo9 1
11 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
11 1 2 . . . . . . . . . 303 . HN parsed_1oo9 1
12 1 1 . . . . . . . . . 302 . HN parsed_1oo9 1
12 1 2 . . . . . . . . . 164 . HN parsed_1oo9 1
13 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
13 1 2 . . . . . . . . . 222 . HD# parsed_1oo9 1
14 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
14 1 2 . . . . . . . . . 163 . HG# parsed_1oo9 1
15 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
15 1 2 . . . . . . . . . 164 . HB# parsed_1oo9 1
16 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
16 1 2 . . . . . . . . . 223 . HA parsed_1oo9 1
17 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
17 1 2 . . . . . . . . . 163 . HA parsed_1oo9 1
18 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
18 1 2 . . . . . . . . . 201 . HE1 parsed_1oo9 1
19 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
19 1 2 . . . . . . . . . 223 . HD2 parsed_1oo9 1
20 1 1 . . . . . . . . . 303 . HN parsed_1oo9 1
20 1 2 . . . . . . . . . 304 . HN parsed_1oo9 1
21 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
21 1 2 . . . . . . . . . 164 . HD# parsed_1oo9 1
22 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
22 1 2 . . . . . . . . . 163 . HG# parsed_1oo9 1
23 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
23 1 2 . . . . . . . . . 164 . HB# parsed_1oo9 1
24 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
24 1 2 . . . . . . . . . 164 . HD# parsed_1oo9 1
25 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
25 1 2 . . . . . . . . . 223 . HB# parsed_1oo9 1
26 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
26 1 2 . . . . . . . . . 162 . HB# parsed_1oo9 1
27 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
27 1 2 . . . . . . . . . 223 . HA parsed_1oo9 1
28 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
28 1 2 . . . . . . . . . 162 . HA parsed_1oo9 1
29 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
29 1 2 . . . . . . . . . 163 . HA parsed_1oo9 1
30 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
30 1 2 . . . . . . . . . 223 . HD# parsed_1oo9 1
31 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
31 1 2 . . . . . . . . . 165 . HN parsed_1oo9 1
32 1 1 . . . . . . . . . 304 . HN parsed_1oo9 1
32 1 2 . . . . . . . . . 164 . HN parsed_1oo9 1
33 1 1 . . . . . . . . . 162 . HN parsed_1oo9 1
33 1 2 . . . . . . . . . 304 . HG# parsed_1oo9 1
34 1 1 . . . . . . . . . 162 . HN parsed_1oo9 1
34 1 2 . . . . . . . . . 304 . HB parsed_1oo9 1
35 1 1 . . . . . . . . . 162 . HN parsed_1oo9 1
35 1 2 . . . . . . . . . 306 . HA parsed_1oo9 1
36 1 1 . . . . . . . . . 163 . HN parsed_1oo9 1
36 1 2 . . . . . . . . . 304 . HG# parsed_1oo9 1
37 1 1 . . . . . . . . . 163 . HN parsed_1oo9 1
37 1 2 . . . . . . . . . 303 . HB# parsed_1oo9 1
38 1 1 . . . . . . . . . 165 . HN parsed_1oo9 1
38 1 2 . . . . . . . . . 302 . HG# parsed_1oo9 1
39 1 1 . . . . . . . . . 165 . HN parsed_1oo9 1
39 1 2 . . . . . . . . . 303 . HA parsed_1oo9 1
40 1 1 . . . . . . . . . 167 . HN parsed_1oo9 1
40 1 2 . . . . . . . . . 369 . HG# parsed_1oo9 1
41 1 1 . . . . . . . . . 167 . HN parsed_1oo9 1
41 1 2 . . . . . . . . . 369 . HB parsed_1oo9 1
42 1 1 . . . . . . . . . 167 . HN parsed_1oo9 1
42 1 2 . . . . . . . . . 368 . HB# parsed_1oo9 1
43 1 1 . . . . . . . . . 167 . HN parsed_1oo9 1
43 1 2 . . . . . . . . . 369 . HA parsed_1oo9 1
44 1 1 . . . . . . . . . 167 . HN parsed_1oo9 1
44 1 2 . . . . . . . . . 368 . HA parsed_1oo9 1
45 1 1 . . . . . . . . . 167 . HN parsed_1oo9 1
45 1 2 . . . . . . . . . 168 . HN parsed_1oo9 1
46 1 1 . . . . . . . . . 168 . HN parsed_1oo9 1
46 1 2 . . . . . . . . . 368 . HB# parsed_1oo9 1
47 1 1 . . . . . . . . . 169 . HN parsed_1oo9 1
47 1 2 . . . . . . . . . 369 . HG# parsed_1oo9 1
48 1 1 . . . . . . . . . 169 . HN parsed_1oo9 1
48 1 2 . . . . . . . . . 366 . HB# parsed_1oo9 1
49 1 1 . . . . . . . . . 206 . HN parsed_1oo9 1
49 1 2 . . . . . . . . . 368 . HB# parsed_1oo9 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 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
2 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
3 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
4 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
5 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
6 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
7 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
8 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
9 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
10 1 . . . . . 3.0 2.0 5.0 parsed_1oo9 1
11 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
12 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
13 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
14 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
15 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
16 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
17 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
18 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
19 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
20 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
21 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
22 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
23 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
24 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
25 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
26 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
27 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
28 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
29 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
30 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
31 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
32 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
33 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
34 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
35 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
36 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
37 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
38 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
39 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
40 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
41 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 1
42 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
43 1 . . . . . 4.0 2.0 5.5 parsed_1oo9 1
44 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
45 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
46 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
47 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
48 1 . . . . . 4.0 2.0 6.0 parsed_1oo9 1
49 1 . . . . . 4.0 2.0 6.5 parsed_1oo9 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 "T302 from TIMP-1 to MMP-3 =12" 1 1 1 32 parsed_1oo9 1
2 intra-molecular 12 78 12 95 parsed_1oo9 1
3 "C303 from TIMP-1 to MMP-3 =9" 13 78 15 31 parsed_1oo9 1
4 "assign (resid 303 and name HN ) (resid 165 and name HB# ) 4.0 2.0 1.5 !" 17 78 18 80 parsed_1oo9 1
5
;
intra-molecular
V304 from TIMP-1 to MMP-3 =12
;
24 78 26 32 parsed_1oo9 1
6 "N162 from MMP-3 to TIMP-1 =3" 38 78 40 31 parsed_1oo9 1
7 "V163 from MMP-3 to TIMP-1 =2" 43 78 45 31 parsed_1oo9 1
8 "V165 from MMP-3 to TIMP-1 =2" 47 78 49 31 parsed_1oo9 1
9 "A167 from MMP-3 to TIMP-1 =6" 51 78 53 32 parsed_1oo9 1
10
;
intra-molecular
Y168 from MMP-3 to TIMP-1 =1
;
59 78 61 31 parsed_1oo9 1
11 "A169 from MMP-3 to TIMP-1 =3" 62 78 64 31 parsed_1oo9 1
12
;
assign (resid 169 and name HN ) (resid 301 and name HB# ) 4.0 2.0 2.5 !
S206 from MMP-3 to TIMP-1 =1
;
66 78 69 31 parsed_1oo9 1
13 end 70 78 72 5 parsed_1oo9 1
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1oo9
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment -------------------------------------------------------
save_
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