NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
655060 |
6lxf   |
cing | 2-parsed | STAR | entry | full | 103 |
data_6lxf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6lxf
_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_6lxf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6lxf
_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 6lxf "Master copy" parsed_6lxf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6lxf
_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 6lxf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6lxf 1
1 6lxf.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6lxf 1
1 6lxf.mr . . DYANA/DIANA 3 distance NOE simple 73 parsed_6lxf 1
1 6lxf.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 30 parsed_6lxf 1
1 6lxf.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6lxf 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_6lxf
_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 PLANT VIRAL PROTEIN 11-FEB-20 6LXF
*TITLE AROMATIC INTERACTIONS DRIVE THE COUPLED FOLDING AND BINDING OF THE
*TITLE 2 INTRINSICALLY DISORDERED SESBANIA MOSAIC VIRUS VPG PROTEIN.
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: POLYPROTEIN;
*COMPND 3 CHAIN: B;
*COMPND 4 SYNONYM: VIRAL PROTEIN GENOME LINKED (SEMV VPG);
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: SESBANIA MOSAIC VIRUS;
*SOURCE 3 ORGANISM_TAXID: 12558;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET21A
*KEYWDS IDPS (INTRINSICALLY DISORDER PROTEINS), VPG (VIRAL PROTEIN GENOME
*KEYWDS 2 LINKED), PLANT VIRAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 25
*AUTHOR K.DIXIT,N.M.KARANTH,S.NAIR,K.KUMARI,K.S.CHAKRABARTI,H.S.SAVITHRI,
*AUTHOR 2 S.P.SARMA
*REVDAT 1 20-JAN-21 6LXF 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6lxf
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
# Restraints file 1: vpg-dihed.aco
325 MET PHI -160.0 -50.0
325 MET PSI 100.0 180.0
326 THR PHI -100.0 -40.0
326 THR PSI 90.0 150.0
327 LEU PHI -150.0 -90.0
327 LEU PSI 120.0 180.0
330 GLU PHI -90.0 -30.0
330 GLU PSI -60.0 0.0
331 LEU PHI -120.0 -60.0
331 LEU PSI 100.0 180.0
333 ILE PHI -170.0 -80.0
333 ILE PSI 110.0 180.0
334 ILE PHI -160.0 -80.0
334 ILE PSI 100.0 170.0
335 GLU PHI -140.0 -60.0
335 GLU PSI 90.0 160.0
336 ILE PHI -180.0 120.0
336 ILE PSI 80.0 140.0
336 ILE CHI -30.0 270.0
338 PHE PHI -90.0 -30.0
338 PHE PSI -60.0 0.0
338 PHE CHI -210.0 150.0
338 PHE CHI -90.0 -30.0
339 ASP PHI -90.0 -30.0
339 ASP PSI -70.0 -10.0
340 ASP PHI -90.0 -30.0
340 ASP PSI -70.0 -10.0
341 VAL PHI -90.0 -30.0
341 VAL PSI -60.0 0.0
342 GLU PHI -90.0 -30.0
342 GLU PSI -70.0 -10.0
343 THR PHI -90.0 -30.0
343 THR PSI -70.0 -10.0
344 ARG PHI -130.0 -60.0
344 ARG PSI -60.0 180.0
345 SER PHI -130.0 -60.0
345 SER PSI -60.0 180.0
346 TYR PHI -130.0 -60.0
346 TYR PSI -60.0 180.0
347 GLU PHI -130.0 -60.0
347 GLU PSI -60.0 180.0
348 PHE PHI -170.0 -50.0
348 PHE PSI 100.0 180.0
349 ILE PHI -150.0 -90.0
349 ILE PSI 90.0 150.0
350 GLU PHI -160.0 100.0
350 GLU PSI 100.0 160.0
351 VAL PHI -150.0 -90.0
351 VAL PSI 100.0 150.0
352 GLU PHI -150.0 -90.0
352 GLU PSI 90.0 150.0
353 ILE PHI -150.0 -90.0
353 ILE PSI 90.0 150.0
354 LYS PHI 30.0 90.0
354 LYS PSI 0.0 60.0
355 GLY PHI 40.0 100.0
355 GLY PSI -40.0 30.0
356 ARG PHI -150.0 -90.0
357 GLY PHI -150.0 -90.0
357 GLY PSI -210.0 150.0
358 LYS PHI -160.0 100.0
358 LYS PSI 90.0 150.0
359 ALA PHI -160.0 100.0
359 ALA PSI 100.0 160.0
360 LYS PHI -160.0 100.0
360 LYS PSI 100.0 160.0
361 LEU PHI -180.0 -40.0
361 LEU PSI 90.0 170.0
361 LEU CHI -90.0 -30.0
362 GLY PHI -180.0 120.0
362 GLY PSI 120.0 180.0
363 LYS PHI -100.0 -40.0
363 LYS PSI -60.0 0.0
364 ARG PHI -130.0 -70.0
364 ARG PSI -30.0 30.0
365 GLU PHI -180.0 120.0
365 GLU PSI 110.0 170.0
366 PHE PHI -160.0 100.0
366 PHE PSI 90.0 150.0
366 PHE CHI -210.0 150.0
367 ALA PHI -150.0 -90.0
367 ALA PSI 90.0 150.0
368 TRP PHI -160.0 100.0
368 TRP PSI 100.0 160.0
368 TRP CHI 30.0 90.0
368 TRP CHI -90.0 -30.0
369 ILE PHI -160.0 100.0
369 ILE PSI 100.0 160.0
371 GLU PHI -180.0 120.0
371 GLU PSI 120.0 180.0
372 SER PHI -110.0 -40.0
372 SER PSI -50.0 10.0
373 GLY PHI -110.0 -40.0
373 GLY PSI -50.0 20.0
374 LYS PHI 30.0 90.0
374 LYS PSI 0.0 60.0
375 TYR PHI -120.0 -60.0
376 TRP PHI 30.0 90.0
376 TRP PSI 0.0 60.0
376 TRP CHI -90.0 -30.0
377 ALA PHI -170.0 100.0
377 ALA PSI -60.0 0.0
378 ASP PHI -90.0 -30.0
378 ASP PSI -60.0 0.0
;
1 1 105 25 parsed_6lxf 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6lxf
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_6lxf 1
2 1 . . . parsed_6lxf 1
3 1 . . . parsed_6lxf 1
4 1 . . . parsed_6lxf 1
5 1 . . . parsed_6lxf 1
6 1 . . . parsed_6lxf 1
7 1 . . . parsed_6lxf 1
8 1 . . . parsed_6lxf 1
9 1 . . . parsed_6lxf 1
10 1 . . . parsed_6lxf 1
11 1 . . . parsed_6lxf 1
12 1 . . . parsed_6lxf 1
13 1 . . . parsed_6lxf 1
14 1 . . . parsed_6lxf 1
15 1 . . . parsed_6lxf 1
16 1 . . . parsed_6lxf 1
17 1 . . . parsed_6lxf 1
18 1 . . . parsed_6lxf 1
19 1 . . . parsed_6lxf 1
20 1 . . . parsed_6lxf 1
21 1 . . . parsed_6lxf 1
22 1 . . . parsed_6lxf 1
23 1 . . . parsed_6lxf 1
24 1 . . . parsed_6lxf 1
25 1 . . . parsed_6lxf 1
26 1 . . . parsed_6lxf 1
27 1 . . . parsed_6lxf 1
28 1 . . . parsed_6lxf 1
29 1 . . . parsed_6lxf 1
30 1 . . . parsed_6lxf 1
31 1 . . . parsed_6lxf 1
32 1 . . . parsed_6lxf 1
33 1 . . . parsed_6lxf 1
34 1 . . . parsed_6lxf 1
35 1 . . . parsed_6lxf 1
36 1 . . . parsed_6lxf 1
37 1 . . . parsed_6lxf 1
38 1 . . . parsed_6lxf 1
39 1 . . . parsed_6lxf 1
40 1 . . . parsed_6lxf 1
41 1 . . . parsed_6lxf 1
42 1 . . . parsed_6lxf 1
43 1 . . . parsed_6lxf 1
44 1 . . . parsed_6lxf 1
45 1 . . . parsed_6lxf 1
46 1 . . . parsed_6lxf 1
47 1 . . . parsed_6lxf 1
48 1 . . . parsed_6lxf 1
49 1 . . . parsed_6lxf 1
50 1 . . . parsed_6lxf 1
51 1 . . . parsed_6lxf 1
52 1 . . . parsed_6lxf 1
53 1 . . . parsed_6lxf 1
54 1 . . . parsed_6lxf 1
55 1 . . . parsed_6lxf 1
56 1 . . . parsed_6lxf 1
57 1 . . . parsed_6lxf 1
58 1 . . . parsed_6lxf 1
59 1 . . . parsed_6lxf 1
60 1 . . . parsed_6lxf 1
61 1 . . . parsed_6lxf 1
62 1 . . . parsed_6lxf 1
63 1 . . . parsed_6lxf 1
64 1 . . . parsed_6lxf 1
65 1 . . . parsed_6lxf 1
66 1 . . . parsed_6lxf 1
67 1 . . . parsed_6lxf 1
68 1 . . . parsed_6lxf 1
69 1 . . . parsed_6lxf 1
70 1 . . . parsed_6lxf 1
71 1 . . . parsed_6lxf 1
72 1 . . . parsed_6lxf 1
73 1 . . . parsed_6lxf 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 . . . . . . . . . 331 LEU H parsed_6lxf 1
1 1 2 . . . . . . . . . 331 LEU QD1 parsed_6lxf 1
2 1 1 . . . . . . . . . 331 LEU H parsed_6lxf 1
2 1 2 . . . . . . . . . 331 LEU QD2 parsed_6lxf 1
3 1 1 . . . . . . . . . 333 ILE H parsed_6lxf 1
3 1 2 . . . . . . . . . 333 ILE QD1 parsed_6lxf 1
4 1 1 . . . . . . . . . 327 LEU H parsed_6lxf 1
4 1 2 . . . . . . . . . 334 ILE QG2 parsed_6lxf 1
5 1 1 . . . . . . . . . 331 LEU QD2 parsed_6lxf 1
5 1 2 . . . . . . . . . 334 ILE H parsed_6lxf 1
6 1 1 . . . . . . . . . 334 ILE H parsed_6lxf 1
6 1 2 . . . . . . . . . 334 ILE QD1 parsed_6lxf 1
7 1 1 . . . . . . . . . 334 ILE H parsed_6lxf 1
7 1 2 . . . . . . . . . 335 GLU H parsed_6lxf 1
8 1 1 . . . . . . . . . 334 ILE QD1 parsed_6lxf 1
8 1 2 . . . . . . . . . 335 GLU H parsed_6lxf 1
9 1 1 . . . . . . . . . 336 ILE H parsed_6lxf 1
9 1 2 . . . . . . . . . 336 ILE QD1 parsed_6lxf 1
10 1 1 . . . . . . . . . 336 ILE H parsed_6lxf 1
10 1 2 . . . . . . . . . 338 PHE H parsed_6lxf 1
11 1 1 . . . . . . . . . 336 ILE H parsed_6lxf 1
11 1 2 . . . . . . . . . 339 ASP H parsed_6lxf 1
12 1 1 . . . . . . . . . 338 PHE H parsed_6lxf 1
12 1 2 . . . . . . . . . 339 ASP H parsed_6lxf 1
13 1 1 . . . . . . . . . 338 PHE H parsed_6lxf 1
13 1 2 . . . . . . . . . 340 ASP H parsed_6lxf 1
14 1 1 . . . . . . . . . 339 ASP H parsed_6lxf 1
14 1 2 . . . . . . . . . 340 ASP H parsed_6lxf 1
15 1 1 . . . . . . . . . 340 ASP H parsed_6lxf 1
15 1 2 . . . . . . . . . 344 ARG H parsed_6lxf 1
16 1 1 . . . . . . . . . 339 ASP H parsed_6lxf 1
16 1 2 . . . . . . . . . 341 VAL H parsed_6lxf 1
17 1 1 . . . . . . . . . 340 ASP H parsed_6lxf 1
17 1 2 . . . . . . . . . 341 VAL H parsed_6lxf 1
18 1 1 . . . . . . . . . 341 VAL H parsed_6lxf 1
18 1 2 . . . . . . . . . 341 VAL QG2 parsed_6lxf 1
19 1 1 . . . . . . . . . 341 VAL H parsed_6lxf 1
19 1 2 . . . . . . . . . 341 VAL QG1 parsed_6lxf 1
20 1 1 . . . . . . . . . 338 PHE QR parsed_6lxf 1
20 1 2 . . . . . . . . . 341 VAL QG2 parsed_6lxf 1
21 1 1 . . . . . . . . . 341 VAL H parsed_6lxf 1
21 1 2 . . . . . . . . . 342 GLU H parsed_6lxf 1
22 1 1 . . . . . . . . . 341 VAL H parsed_6lxf 1
22 1 2 . . . . . . . . . 344 ARG H parsed_6lxf 1
23 1 1 . . . . . . . . . 341 VAL H parsed_6lxf 1
23 1 2 . . . . . . . . . 349 ILE H parsed_6lxf 1
24 1 1 . . . . . . . . . 341 VAL QG1 parsed_6lxf 1
24 1 2 . . . . . . . . . 342 GLU H parsed_6lxf 1
25 1 1 . . . . . . . . . 341 VAL QG2 parsed_6lxf 1
25 1 2 . . . . . . . . . 342 GLU H parsed_6lxf 1
26 1 1 . . . . . . . . . 342 GLU H parsed_6lxf 1
26 1 2 . . . . . . . . . 344 ARG H parsed_6lxf 1
27 1 1 . . . . . . . . . 342 GLU H parsed_6lxf 1
27 1 2 . . . . . . . . . 343 THR H parsed_6lxf 1
28 1 1 . . . . . . . . . 346 TYR H parsed_6lxf 1
28 1 2 . . . . . . . . . 347 GLU H parsed_6lxf 1
29 1 1 . . . . . . . . . 349 ILE H parsed_6lxf 1
29 1 2 . . . . . . . . . 350 GLU H parsed_6lxf 1
30 1 1 . . . . . . . . . 351 VAL H parsed_6lxf 1
30 1 2 . . . . . . . . . 351 VAL QG2 parsed_6lxf 1
31 1 1 . . . . . . . . . 351 VAL H parsed_6lxf 1
31 1 2 . . . . . . . . . 351 VAL QG1 parsed_6lxf 1
32 1 1 . . . . . . . . . 351 VAL H parsed_6lxf 1
32 1 2 . . . . . . . . . 352 GLU H parsed_6lxf 1
33 1 1 . . . . . . . . . 351 VAL H parsed_6lxf 1
33 1 2 . . . . . . . . . 359 ALA H parsed_6lxf 1
34 1 1 . . . . . . . . . 351 VAL H parsed_6lxf 1
34 1 2 . . . . . . . . . 361 LEU H parsed_6lxf 1
35 1 1 . . . . . . . . . 353 ILE H parsed_6lxf 1
35 1 2 . . . . . . . . . 371 GLU H parsed_6lxf 1
36 1 1 . . . . . . . . . 353 ILE H parsed_6lxf 1
36 1 2 . . . . . . . . . 355 GLY H parsed_6lxf 1
37 1 1 . . . . . . . . . 355 GLY H parsed_6lxf 1
37 1 2 . . . . . . . . . 356 ARG H parsed_6lxf 1
38 1 1 . . . . . . . . . 355 GLY H parsed_6lxf 1
38 1 2 . . . . . . . . . 357 GLY H parsed_6lxf 1
39 1 1 . . . . . . . . . 353 ILE H parsed_6lxf 1
39 1 2 . . . . . . . . . 356 ARG H parsed_6lxf 1
40 1 1 . . . . . . . . . 354 LYS H parsed_6lxf 1
40 1 2 . . . . . . . . . 356 ARG H parsed_6lxf 1
41 1 1 . . . . . . . . . 353 ILE H parsed_6lxf 1
41 1 2 . . . . . . . . . 357 GLY H parsed_6lxf 1
42 1 1 . . . . . . . . . 356 ARG H parsed_6lxf 1
42 1 2 . . . . . . . . . 357 GLY H parsed_6lxf 1
43 1 1 . . . . . . . . . 357 GLY H parsed_6lxf 1
43 1 2 . . . . . . . . . 358 LYS H parsed_6lxf 1
44 1 1 . . . . . . . . . 351 VAL QG1 parsed_6lxf 1
44 1 2 . . . . . . . . . 359 ALA H parsed_6lxf 1
45 1 1 . . . . . . . . . 351 VAL QG2 parsed_6lxf 1
45 1 2 . . . . . . . . . 359 ALA H parsed_6lxf 1
46 1 1 . . . . . . . . . 359 ALA H parsed_6lxf 1
46 1 2 . . . . . . . . . 360 LYS H parsed_6lxf 1
47 1 1 . . . . . . . . . 349 ILE H parsed_6lxf 1
47 1 2 . . . . . . . . . 361 LEU H parsed_6lxf 1
48 1 1 . . . . . . . . . 360 LYS H parsed_6lxf 1
48 1 2 . . . . . . . . . 361 LEU H parsed_6lxf 1
49 1 1 . . . . . . . . . 344 ARG H parsed_6lxf 1
49 1 2 . . . . . . . . . 362 GLY H parsed_6lxf 1
50 1 1 . . . . . . . . . 362 GLY H parsed_6lxf 1
50 1 2 . . . . . . . . . 365 GLU H parsed_6lxf 1
51 1 1 . . . . . . . . . 363 LYS H parsed_6lxf 1
51 1 2 . . . . . . . . . 365 GLU H parsed_6lxf 1
52 1 1 . . . . . . . . . 339 ASP H parsed_6lxf 1
52 1 2 . . . . . . . . . 366 PHE H parsed_6lxf 1
53 1 1 . . . . . . . . . 365 GLU H parsed_6lxf 1
53 1 2 . . . . . . . . . 366 PHE H parsed_6lxf 1
54 1 1 . . . . . . . . . 366 PHE H parsed_6lxf 1
54 1 2 . . . . . . . . . 367 ALA H parsed_6lxf 1
55 1 1 . . . . . . . . . 341 VAL QG1 parsed_6lxf 1
55 1 2 . . . . . . . . . 367 ALA H parsed_6lxf 1
56 1 1 . . . . . . . . . 360 LYS H parsed_6lxf 1
56 1 2 . . . . . . . . . 367 ALA H parsed_6lxf 1
57 1 1 . . . . . . . . . 362 GLY H parsed_6lxf 1
57 1 2 . . . . . . . . . 367 ALA H parsed_6lxf 1
58 1 1 . . . . . . . . . 362 GLY H parsed_6lxf 1
58 1 2 . . . . . . . . . 368 TRP HE1 parsed_6lxf 1
59 1 1 . . . . . . . . . 368 TRP H parsed_6lxf 1
59 1 2 . . . . . . . . . 368 TRP HE1 parsed_6lxf 1
60 1 1 . . . . . . . . . 368 TRP HE1 parsed_6lxf 1
60 1 2 . . . . . . . . . 376 TRP HE1 parsed_6lxf 1
61 1 1 . . . . . . . . . 358 LYS H parsed_6lxf 1
61 1 2 . . . . . . . . . 369 ILE H parsed_6lxf 1
62 1 1 . . . . . . . . . 359 ALA H parsed_6lxf 1
62 1 2 . . . . . . . . . 369 ILE H parsed_6lxf 1
63 1 1 . . . . . . . . . 371 GLU H parsed_6lxf 1
63 1 2 . . . . . . . . . 372 SER H parsed_6lxf 1
64 1 1 . . . . . . . . . 372 SER H parsed_6lxf 1
64 1 2 . . . . . . . . . 373 GLY H parsed_6lxf 1
65 1 1 . . . . . . . . . 374 LYS H parsed_6lxf 1
65 1 2 . . . . . . . . . 377 ALA H parsed_6lxf 1
66 1 1 . . . . . . . . . 369 ILE H parsed_6lxf 1
66 1 2 . . . . . . . . . 375 TYR H parsed_6lxf 1
67 1 1 . . . . . . . . . 375 TYR H parsed_6lxf 1
67 1 2 . . . . . . . . . 377 ALA H parsed_6lxf 1
68 1 1 . . . . . . . . . 376 TRP H parsed_6lxf 1
68 1 2 . . . . . . . . . 378 ASP H parsed_6lxf 1
69 1 1 . . . . . . . . . 372 SER H parsed_6lxf 1
69 1 2 . . . . . . . . . 378 ASP H parsed_6lxf 1
70 1 1 . . . . . . . . . 377 ALA H parsed_6lxf 1
70 1 2 . . . . . . . . . 378 ASP H parsed_6lxf 1
71 1 1 . . . . . . . . . 378 ASP H parsed_6lxf 1
71 1 2 . . . . . . . . . 379 GLU H parsed_6lxf 1
72 1 1 . . . . . . . . . 361 LEU QD2 parsed_6lxf 1
72 1 2 . . . . . . . . . 368 TRP CD2 parsed_6lxf 1
73 1 1 . . . . . . . . . 361 LEU QD2 parsed_6lxf 1
73 1 2 . . . . . . . . . 368 TRP CE2 parsed_6lxf 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 . . . . . . . 5.69 parsed_6lxf 1
2 1 . . . . . . . 5.82 parsed_6lxf 1
3 1 . . . . . . . 5.37 parsed_6lxf 1
4 1 . . . . . . . 7.00 parsed_6lxf 1
5 1 . . . . . . . 6.00 parsed_6lxf 1
6 1 . . . . . . . 5.38 parsed_6lxf 1
7 1 . . . . . . . 4.48 parsed_6lxf 1
8 1 . . . . . . . 5.43 parsed_6lxf 1
9 1 . . . . . . . 5.59 parsed_6lxf 1
10 1 . . . . . . . 5.44 parsed_6lxf 1
11 1 . . . . . . . 5.42 parsed_6lxf 1
12 1 . . . . . . . 3.37 parsed_6lxf 1
13 1 . . . . . . . 4.42 parsed_6lxf 1
14 1 . . . . . . . 3.79 parsed_6lxf 1
15 1 . . . . . . . 6.00 parsed_6lxf 1
16 1 . . . . . . . 4.93 parsed_6lxf 1
17 1 . . . . . . . 3.80 parsed_6lxf 1
18 1 . . . . . . . 4.00 parsed_6lxf 1
19 1 . . . . . . . 4.00 parsed_6lxf 1
20 1 . . . . . . . 4.00 parsed_6lxf 1
21 1 . . . . . . . 4.01 parsed_6lxf 1
22 1 . . . . . . . 4.94 parsed_6lxf 1
23 1 . . . . . . . 6.00 parsed_6lxf 1
24 1 . . . . . . . 5.00 parsed_6lxf 1
25 1 . . . . . . . 3.50 parsed_6lxf 1
26 1 . . . . . . . 4.37 parsed_6lxf 1
27 1 . . . . . . . 4.93 parsed_6lxf 1
28 1 . . . . . . . 4.39 parsed_6lxf 1
29 1 . . . . . . . 5.40 parsed_6lxf 1
30 1 . . . . . . . 5.00 parsed_6lxf 1
31 1 . . . . . . . 5.00 parsed_6lxf 1
32 1 . . . . . . . 6.05 parsed_6lxf 1
33 1 . . . . . . . 3.40 parsed_6lxf 1
34 1 . . . . . . . 6.00 parsed_6lxf 1
35 1 . . . . . . . 6.00 parsed_6lxf 1
36 1 . . . . . . . 6.67 parsed_6lxf 1
37 1 . . . . . . . 4.55 parsed_6lxf 1
38 1 . . . . . . . 4.52 parsed_6lxf 1
39 1 . . . . . . . 4.69 parsed_6lxf 1
40 1 . . . . . . . 5.33 parsed_6lxf 1
41 1 . . . . . . . 3.70 parsed_6lxf 1
42 1 . . . . . . . 4.37 parsed_6lxf 1
43 1 . . . . . . . 4.94 parsed_6lxf 1
44 1 . . . . . . . 5.50 parsed_6lxf 1
45 1 . . . . . . . 3.50 parsed_6lxf 1
46 1 . . . . . . . 5.48 parsed_6lxf 1
47 1 . . . . . . . 3.40 parsed_6lxf 1
48 1 . . . . . . . 5.13 parsed_6lxf 1
49 1 . . . . . . . 6.00 parsed_6lxf 1
50 1 . . . . . . . 4.00 parsed_6lxf 1
51 1 . . . . . . . 4.98 parsed_6lxf 1
52 1 . . . . . . . 6.80 parsed_6lxf 1
53 1 . . . . . . . 4.52 parsed_6lxf 1
54 1 . . . . . . . 5.36 parsed_6lxf 1
55 1 . . . . . . . 7.00 parsed_6lxf 1
56 1 . . . . . . . 4.00 parsed_6lxf 1
57 1 . . . . . . . 5.19 parsed_6lxf 1
58 1 . . . . . . . 5.50 parsed_6lxf 1
59 1 . . . . . . . 5.96 parsed_6lxf 1
60 1 . . . . . . . 5.16 parsed_6lxf 1
61 1 . . . . . . . 3.40 parsed_6lxf 1
62 1 . . . . . . . 5.50 parsed_6lxf 1
63 1 . . . . . . . 5.23 parsed_6lxf 1
64 1 . . . . . . . 5.25 parsed_6lxf 1
65 1 . . . . . . . 6.13 parsed_6lxf 1
66 1 . . . . . . . 5.99 parsed_6lxf 1
67 1 . . . . . . . 4.24 parsed_6lxf 1
68 1 . . . . . . . 4.20 parsed_6lxf 1
69 1 . . . . . . . 6.08 parsed_6lxf 1
70 1 . . . . . . . 4.41 parsed_6lxf 1
71 1 . . . . . . . 4.07 parsed_6lxf 1
72 1 . . . . . . . 4.50 parsed_6lxf 1
73 1 . . . . . . . 4.50 parsed_6lxf 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 "Restraints file 2: vpg-noe-hbond.upl" 1 1 1 38 parsed_6lxf 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6lxf
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_6lxf 2
2 1 . . . parsed_6lxf 2
3 1 . . . parsed_6lxf 2
4 1 . . . parsed_6lxf 2
5 1 . . . parsed_6lxf 2
6 1 . . . parsed_6lxf 2
7 1 . . . parsed_6lxf 2
8 1 . . . parsed_6lxf 2
9 1 . . . parsed_6lxf 2
10 1 . . . parsed_6lxf 2
11 1 . . . parsed_6lxf 2
12 1 . . . parsed_6lxf 2
13 1 . . . parsed_6lxf 2
14 1 . . . parsed_6lxf 2
15 1 . . . parsed_6lxf 2
16 1 . . . parsed_6lxf 2
17 1 . . . parsed_6lxf 2
18 1 . . . parsed_6lxf 2
19 1 . . . parsed_6lxf 2
20 1 . . . parsed_6lxf 2
21 1 . . . parsed_6lxf 2
22 1 . . . parsed_6lxf 2
23 1 . . . parsed_6lxf 2
24 1 . . . parsed_6lxf 2
25 1 . . . parsed_6lxf 2
26 1 . . . parsed_6lxf 2
27 1 . . . parsed_6lxf 2
28 1 . . . parsed_6lxf 2
29 1 . . . parsed_6lxf 2
30 1 . . . parsed_6lxf 2
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 . . . . . . . . . 337 PRO O parsed_6lxf 2
1 1 2 . . . . . . . . . 341 VAL H parsed_6lxf 2
2 1 1 . . . . . . . . . 337 PRO O parsed_6lxf 2
2 1 2 . . . . . . . . . 341 VAL N parsed_6lxf 2
3 1 1 . . . . . . . . . 338 PHE O parsed_6lxf 2
3 1 2 . . . . . . . . . 342 GLU H parsed_6lxf 2
4 1 1 . . . . . . . . . 338 PHE O parsed_6lxf 2
4 1 2 . . . . . . . . . 342 GLU N parsed_6lxf 2
5 1 1 . . . . . . . . . 339 ASP O parsed_6lxf 2
5 1 2 . . . . . . . . . 343 THR H parsed_6lxf 2
6 1 1 . . . . . . . . . 339 ASP O parsed_6lxf 2
6 1 2 . . . . . . . . . 343 THR N parsed_6lxf 2
7 1 1 . . . . . . . . . 349 ILE H parsed_6lxf 2
7 1 2 . . . . . . . . . 361 LEU O parsed_6lxf 2
8 1 1 . . . . . . . . . 349 ILE N parsed_6lxf 2
8 1 2 . . . . . . . . . 361 LEU O parsed_6lxf 2
9 1 1 . . . . . . . . . 349 ILE O parsed_6lxf 2
9 1 2 . . . . . . . . . 361 LEU H parsed_6lxf 2
10 1 1 . . . . . . . . . 349 ILE O parsed_6lxf 2
10 1 2 . . . . . . . . . 361 LEU N parsed_6lxf 2
11 1 1 . . . . . . . . . 351 VAL H parsed_6lxf 2
11 1 2 . . . . . . . . . 359 ALA O parsed_6lxf 2
12 1 1 . . . . . . . . . 351 VAL N parsed_6lxf 2
12 1 2 . . . . . . . . . 359 ALA O parsed_6lxf 2
13 1 1 . . . . . . . . . 351 VAL O parsed_6lxf 2
13 1 2 . . . . . . . . . 359 ALA H parsed_6lxf 2
14 1 1 . . . . . . . . . 351 VAL O parsed_6lxf 2
14 1 2 . . . . . . . . . 359 ALA N parsed_6lxf 2
15 1 1 . . . . . . . . . 353 ILE H parsed_6lxf 2
15 1 2 . . . . . . . . . 357 GLY O parsed_6lxf 2
16 1 1 . . . . . . . . . 353 ILE N parsed_6lxf 2
16 1 2 . . . . . . . . . 357 GLY O parsed_6lxf 2
17 1 1 . . . . . . . . . 358 LYS H parsed_6lxf 2
17 1 2 . . . . . . . . . 369 ILE O parsed_6lxf 2
18 1 1 . . . . . . . . . 358 LYS N parsed_6lxf 2
18 1 2 . . . . . . . . . 369 ILE O parsed_6lxf 2
19 1 1 . . . . . . . . . 360 LYS H parsed_6lxf 2
19 1 2 . . . . . . . . . 367 ALA O parsed_6lxf 2
20 1 1 . . . . . . . . . 360 LYS N parsed_6lxf 2
20 1 2 . . . . . . . . . 367 ALA O parsed_6lxf 2
21 1 1 . . . . . . . . . 362 GLY H parsed_6lxf 2
21 1 2 . . . . . . . . . 365 GLU O parsed_6lxf 2
22 1 1 . . . . . . . . . 362 GLY N parsed_6lxf 2
22 1 2 . . . . . . . . . 365 GLU O parsed_6lxf 2
23 1 1 . . . . . . . . . 349 ILE O parsed_6lxf 2
23 1 2 . . . . . . . . . 361 LEU H parsed_6lxf 2
24 1 1 . . . . . . . . . 349 ILE O parsed_6lxf 2
24 1 2 . . . . . . . . . 361 LEU N parsed_6lxf 2
25 1 1 . . . . . . . . . 353 ILE O parsed_6lxf 2
25 1 2 . . . . . . . . . 357 GLY H parsed_6lxf 2
26 1 1 . . . . . . . . . 353 ILE O parsed_6lxf 2
26 1 2 . . . . . . . . . 357 GLY N parsed_6lxf 2
27 1 1 . . . . . . . . . 358 LYS O parsed_6lxf 2
27 1 2 . . . . . . . . . 369 ILE H parsed_6lxf 2
28 1 1 . . . . . . . . . 358 LYS O parsed_6lxf 2
28 1 2 . . . . . . . . . 369 ILE N parsed_6lxf 2
29 1 1 . . . . . . . . . 360 LYS O parsed_6lxf 2
29 1 2 . . . . . . . . . 367 ALA H parsed_6lxf 2
30 1 1 . . . . . . . . . 360 LYS O parsed_6lxf 2
30 1 2 . . . . . . . . . 367 ALA N parsed_6lxf 2
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 . . . . . . . 2.30 parsed_6lxf 2
2 1 . . . . . . . 3.30 parsed_6lxf 2
3 1 . . . . . . . 2.30 parsed_6lxf 2
4 1 . . . . . . . 3.30 parsed_6lxf 2
5 1 . . . . . . . 2.30 parsed_6lxf 2
6 1 . . . . . . . 3.30 parsed_6lxf 2
7 1 . . . . . . . 2.50 parsed_6lxf 2
8 1 . . . . . . . 3.50 parsed_6lxf 2
9 1 . . . . . . . 2.50 parsed_6lxf 2
10 1 . . . . . . . 3.50 parsed_6lxf 2
11 1 . . . . . . . 2.50 parsed_6lxf 2
12 1 . . . . . . . 3.50 parsed_6lxf 2
13 1 . . . . . . . 2.50 parsed_6lxf 2
14 1 . . . . . . . 3.50 parsed_6lxf 2
15 1 . . . . . . . 2.50 parsed_6lxf 2
16 1 . . . . . . . 3.50 parsed_6lxf 2
17 1 . . . . . . . 2.50 parsed_6lxf 2
18 1 . . . . . . . 3.50 parsed_6lxf 2
19 1 . . . . . . . 2.50 parsed_6lxf 2
20 1 . . . . . . . 3.50 parsed_6lxf 2
21 1 . . . . . . . 2.50 parsed_6lxf 2
22 1 . . . . . . . 3.50 parsed_6lxf 2
23 1 . . . . . . . 2.50 parsed_6lxf 2
24 1 . . . . . . . 3.50 parsed_6lxf 2
25 1 . . . . . . . 2.50 parsed_6lxf 2
26 1 . . . . . . . 3.50 parsed_6lxf 2
27 1 . . . . . . . 2.50 parsed_6lxf 2
28 1 . . . . . . . 3.50 parsed_6lxf 2
29 1 . . . . . . . 2.50 parsed_6lxf 2
30 1 . . . . . . . 3.50 parsed_6lxf 2
stop_
save_
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