NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
490353 |
2ks9   |
20115 | cing | 2-parsed | STAR | entry | full | 75 |
data_2ks9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ks9
_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_2ks9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ks9
_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 2ks9 "Master copy" parsed_2ks9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ks9
_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 2ks9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ks9 1
1 2ks9.mr . . XPLOR/CNS 2 distance NOE simple 69 parsed_2ks9 1
1 2ks9.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_2ks9 1
1 2ks9.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ks9 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_2ks9
_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 NEUROPEPTIDE RECEPTOR/NEUROPEPTIDE 31-DEC-09 2KS9
*TITLE SOLUTION CONFORMATION OF SUBSTANCE P IN WATER COMPLEXED WITH NK1R
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SUBSTANCE-P RECEPTOR;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 1-364;
*COMPND 5 SYNONYM: SPR, NK-1 RECEPTOR, NK-1R, TACHYKININ RECEPTOR 1;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: SUBSTANCE P;
*COMPND 8 CHAIN: B;
*COMPND 9 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 MOL_ID: 2;
*SOURCE 6 SYNTHETIC: YES;
*SOURCE 7 OTHER_DETAILS: SYNTHETIC PEPTIDE
*KEYWDS SUBSTANCE P, WATER, AUTODOCK, NK1, NEUROPEPTIDE RECEPTOR-NEUROPEPTIDE
*KEYWDS 2 COMPLEX
*EXPDTA SOLUTION NMR
*NUMMDL 5
*AUTHOR A.GAYEN, C.MUKHOPADHYAY
*REVDAT 2 17-NOV-10 2KS9 1 NEW RESTRAINTS FILE
*REVDAT 1 03-NOV-10 2KS9 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ks9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_2ks9 1
2 1 . . . parsed_2ks9 1
3 1 . . . parsed_2ks9 1
4 1 . . . parsed_2ks9 1
5 1 . . . parsed_2ks9 1
6 1 . . . parsed_2ks9 1
7 1 . . . parsed_2ks9 1
8 1 . . . parsed_2ks9 1
9 1 . . . parsed_2ks9 1
10 1 . . . parsed_2ks9 1
11 1 . . . parsed_2ks9 1
12 1 . . . parsed_2ks9 1
13 1 . . . parsed_2ks9 1
14 1 . . . parsed_2ks9 1
15 1 . . . parsed_2ks9 1
16 1 . . . parsed_2ks9 1
17 1 . . . parsed_2ks9 1
18 1 . . . parsed_2ks9 1
19 1 . . . parsed_2ks9 1
20 1 . . . parsed_2ks9 1
21 1 . . . parsed_2ks9 1
22 1 . . . parsed_2ks9 1
23 1 . . . parsed_2ks9 1
24 1 . . . parsed_2ks9 1
25 1 . . . parsed_2ks9 1
26 1 . . . parsed_2ks9 1
27 1 . . . parsed_2ks9 1
28 1 . . . parsed_2ks9 1
29 1 . . . parsed_2ks9 1
30 1 . . . parsed_2ks9 1
31 1 . . . parsed_2ks9 1
32 1 . . . parsed_2ks9 1
33 1 . . . parsed_2ks9 1
34 1 . . . parsed_2ks9 1
35 1 . . . parsed_2ks9 1
36 1 . . . parsed_2ks9 1
37 1 . . . parsed_2ks9 1
38 1 . . . parsed_2ks9 1
39 1 . . . parsed_2ks9 1
40 1 . . . parsed_2ks9 1
41 1 . . . parsed_2ks9 1
42 1 . . . parsed_2ks9 1
43 1 . . . parsed_2ks9 1
44 1 . . . parsed_2ks9 1
45 1 . . . parsed_2ks9 1
46 1 . . . parsed_2ks9 1
47 1 . . . parsed_2ks9 1
48 1 . . . parsed_2ks9 1
49 1 . . . parsed_2ks9 1
50 1 . . . parsed_2ks9 1
51 1 . . . parsed_2ks9 1
52 1 . . . parsed_2ks9 1
53 1 . . . parsed_2ks9 1
54 1 . . . parsed_2ks9 1
55 1 . . . parsed_2ks9 1
56 1 . . . parsed_2ks9 1
57 1 . . . parsed_2ks9 1
58 1 . . . parsed_2ks9 1
59 1 . . . parsed_2ks9 1
60 1 . . . parsed_2ks9 1
61 1 . . . parsed_2ks9 1
62 1 . . . parsed_2ks9 1
63 1 . . . parsed_2ks9 1
64 1 . . . parsed_2ks9 1
65 1 . . . parsed_2ks9 1
66 1 . . . parsed_2ks9 1
67 1 . . . parsed_2ks9 1
68 1 . . . parsed_2ks9 1
69 1 . . . parsed_2ks9 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 . . . . . . . . . 365 . HA parsed_2ks9 1
1 1 2 . . . . . . . . . 365 . HD# parsed_2ks9 1
2 1 1 . . . . . . . . . 365 . HB# parsed_2ks9 1
2 1 2 . . . . . . . . . 365 . HD# parsed_2ks9 1
3 1 1 . . . . . . . . . 365 . HA parsed_2ks9 1
3 1 2 . . . . . . . . . 365 . HG# parsed_2ks9 1
4 1 1 . . . . . . . . . 366 . HA parsed_2ks9 1
4 1 2 . . . . . . . . . 366 . HB# parsed_2ks9 1
5 1 1 . . . . . . . . . 366 . HG# parsed_2ks9 1
5 1 2 . . . . . . . . . 366 . HD# parsed_2ks9 1
6 1 1 . . . . . . . . . 366 . HD# parsed_2ks9 1
6 1 2 . . . . . . . . . 366 . HB# parsed_2ks9 1
7 1 1 . . . . . . . . . 366 . HB# parsed_2ks9 1
7 1 2 . . . . . . . . . 366 . HG# parsed_2ks9 1
8 1 1 . . . . . . . . . 367 . HA parsed_2ks9 1
8 1 2 . . . . . . . . . 367 . HB# parsed_2ks9 1
9 1 1 . . . . . . . . . 367 . HA parsed_2ks9 1
9 1 2 . . . . . . . . . 367 . HG# parsed_2ks9 1
10 1 1 . . . . . . . . . 367 . HN parsed_2ks9 1
10 1 2 . . . . . . . . . 367 . HA parsed_2ks9 1
11 1 1 . . . . . . . . . 367 . HA parsed_2ks9 1
11 1 2 . . . . . . . . . 367 . HD# parsed_2ks9 1
12 1 1 . . . . . . . . . 367 . HG# parsed_2ks9 1
12 1 2 . . . . . . . . . 367 . HD# parsed_2ks9 1
13 1 1 . . . . . . . . . 367 . HG# parsed_2ks9 1
13 1 2 . . . . . . . . . 367 . HE# parsed_2ks9 1
14 1 1 . . . . . . . . . 367 . HD# parsed_2ks9 1
14 1 2 . . . . . . . . . 367 . HE# parsed_2ks9 1
15 1 1 . . . . . . . . . 367 . HB# parsed_2ks9 1
15 1 2 . . . . . . . . . 367 . HD# parsed_2ks9 1
16 1 1 . . . . . . . . . 367 . HE# parsed_2ks9 1
16 1 2 . . . . . . . . . 367 . HA# parsed_2ks9 1
17 1 1 . . . . . . . . . 367 . HB# parsed_2ks9 1
17 1 2 . . . . . . . . . 367 . HG# parsed_2ks9 1
18 1 1 . . . . . . . . . 368 . HA parsed_2ks9 1
18 1 2 . . . . . . . . . 368 . HB# parsed_2ks9 1
19 1 1 . . . . . . . . . 368 . HA parsed_2ks9 1
19 1 2 . . . . . . . . . 368 . HG# parsed_2ks9 1
20 1 1 . . . . . . . . . 368 . HB# parsed_2ks9 1
20 1 2 . . . . . . . . . 368 . HD# parsed_2ks9 1
21 1 1 . . . . . . . . . 368 . HB# parsed_2ks9 1
21 1 2 . . . . . . . . . 368 . HG# parsed_2ks9 1
22 1 1 . . . . . . . . . 369 . HA parsed_2ks9 1
22 1 2 . . . . . . . . . 369 . HB# parsed_2ks9 1
23 1 1 . . . . . . . . . 369 . HA parsed_2ks9 1
23 1 2 . . . . . . . . . 369 . HG# parsed_2ks9 1
24 1 1 . . . . . . . . . 369 . HE21 parsed_2ks9 1
24 1 2 . . . . . . . . . 369 . HE22 parsed_2ks9 1
25 1 1 . . . . . . . . . 370 . HA parsed_2ks9 1
25 1 2 . . . . . . . . . 370 . HB# parsed_2ks9 1
26 1 1 . . . . . . . . . 370 . HB# parsed_2ks9 1
26 1 2 . . . . . . . . . 370 . HG# parsed_2ks9 1
27 1 1 . . . . . . . . . 370 . HA parsed_2ks9 1
27 1 2 . . . . . . . . . 370 . HG# parsed_2ks9 1
28 1 1 . . . . . . . . . 370 . HE21 parsed_2ks9 1
28 1 2 . . . . . . . . . 370 . HE22 parsed_2ks9 1
29 1 1 . . . . . . . . . 370 . HB# parsed_2ks9 1
29 1 2 . . . . . . . . . 370 . HG# parsed_2ks9 1
30 1 1 . . . . . . . . . 370 . HG# parsed_2ks9 1
30 1 2 . . . . . . . . . 370 . HE21 parsed_2ks9 1
31 1 1 . . . . . . . . . 370 . HB# parsed_2ks9 1
31 1 2 . . . . . . . . . 370 . HE22 parsed_2ks9 1
32 1 1 . . . . . . . . . 371 . HA parsed_2ks9 1
32 1 2 . . . . . . . . . 371 . HB# parsed_2ks9 1
33 1 1 . . . . . . . . . 371 . HB# parsed_2ks9 1
33 1 2 . . . . . . . . . 371 . HD# parsed_2ks9 1
34 1 1 . . . . . . . . . 371 . HA parsed_2ks9 1
34 1 2 . . . . . . . . . 371 . HN parsed_2ks9 1
35 1 1 . . . . . . . . . 371 . HB# parsed_2ks9 1
35 1 2 . . . . . . . . . 371 . HD# parsed_2ks9 1
36 1 1 . . . . . . . . . 371 . HD# parsed_2ks9 1
36 1 2 . . . . . . . . . 371 . HE# parsed_2ks9 1
37 1 1 . . . . . . . . . 372 . HA parsed_2ks9 1
37 1 2 . . . . . . . . . 372 . HN parsed_2ks9 1
38 1 1 . . . . . . . . . 372 . HA parsed_2ks9 1
38 1 2 . . . . . . . . . 372 . HD# parsed_2ks9 1
39 1 1 . . . . . . . . . 372 . HB# parsed_2ks9 1
39 1 2 . . . . . . . . . 372 . HD# parsed_2ks9 1
40 1 1 . . . . . . . . . 372 . HA parsed_2ks9 1
40 1 2 . . . . . . . . . 372 . HB# parsed_2ks9 1
41 1 1 . . . . . . . . . 373 . HA# parsed_2ks9 1
41 1 2 . . . . . . . . . 373 . HN parsed_2ks9 1
42 1 1 . . . . . . . . . 374 . HA parsed_2ks9 1
42 1 2 . . . . . . . . . 374 . HN parsed_2ks9 1
43 1 1 . . . . . . . . . 374 . HA parsed_2ks9 1
43 1 2 . . . . . . . . . 374 . HB# parsed_2ks9 1
44 1 1 . . . . . . . . . 374 . HB# parsed_2ks9 1
44 1 2 . . . . . . . . . 374 . HD# parsed_2ks9 1
45 1 1 . . . . . . . . . 374 . HG# parsed_2ks9 1
45 1 2 . . . . . . . . . 374 . HD# parsed_2ks9 1
46 1 1 . . . . . . . . . 374 . HA parsed_2ks9 1
46 1 2 . . . . . . . . . 374 . HD# parsed_2ks9 1
47 1 1 . . . . . . . . . 374 . HA parsed_2ks9 1
47 1 2 . . . . . . . . . 374 . HG# parsed_2ks9 1
48 1 1 . . . . . . . . . 375 . HA parsed_2ks9 1
48 1 2 . . . . . . . . . 375 . HB# parsed_2ks9 1
49 1 1 . . . . . . . . . 375 . HA parsed_2ks9 1
49 1 2 . . . . . . . . . 375 . HN parsed_2ks9 1
50 1 1 . . . . . . . . . 375 . HB# parsed_2ks9 1
50 1 2 . . . . . . . . . 375 . HG# parsed_2ks9 1
51 1 1 . . . . . . . . . 365 . HD# parsed_2ks9 1
51 1 2 . . . . . . . . . 366 . HD# parsed_2ks9 1
52 1 1 . . . . . . . . . 367 . HD# parsed_2ks9 1
52 1 2 . . . . . . . . . 366 . HD# parsed_2ks9 1
53 1 1 . . . . . . . . . 365 . HA parsed_2ks9 1
53 1 2 . . . . . . . . . 367 . HD# parsed_2ks9 1
54 1 1 . . . . . . . . . 365 . HA parsed_2ks9 1
54 1 2 . . . . . . . . . 366 . HD# parsed_2ks9 1
55 1 1 . . . . . . . . . 366 . HA parsed_2ks9 1
55 1 2 . . . . . . . . . 367 . HA parsed_2ks9 1
56 1 1 . . . . . . . . . 367 . HA parsed_2ks9 1
56 1 2 . . . . . . . . . 368 . HD# parsed_2ks9 1
57 1 1 . . . . . . . . . 367 . HA parsed_2ks9 1
57 1 2 . . . . . . . . . 365 . HD# parsed_2ks9 1
58 1 1 . . . . . . . . . 366 . HG# parsed_2ks9 1
58 1 2 . . . . . . . . . 368 . HA parsed_2ks9 1
59 1 1 . . . . . . . . . 368 . HA parsed_2ks9 1
59 1 2 . . . . . . . . . 369 . HN parsed_2ks9 1
60 1 1 . . . . . . . . . 368 . HB# parsed_2ks9 1
60 1 2 . . . . . . . . . 369 . HA parsed_2ks9 1
61 1 1 . . . . . . . . . 368 . HG# parsed_2ks9 1
61 1 2 . . . . . . . . . 369 . HA parsed_2ks9 1
62 1 1 . . . . . . . . . 368 . HG# parsed_2ks9 1
62 1 2 . . . . . . . . . 370 . HG# parsed_2ks9 1
63 1 1 . . . . . . . . . 370 . HA parsed_2ks9 1
63 1 2 . . . . . . . . . 371 . HN parsed_2ks9 1
64 1 1 . . . . . . . . . 370 . HA parsed_2ks9 1
64 1 2 . . . . . . . . . 372 . HN parsed_2ks9 1
65 1 1 . . . . . . . . . 371 . HA parsed_2ks9 1
65 1 2 . . . . . . . . . 373 . HN parsed_2ks9 1
66 1 1 . . . . . . . . . 372 . HA parsed_2ks9 1
66 1 2 . . . . . . . . . 373 . HN parsed_2ks9 1
67 1 1 . . . . . . . . . 371 . HA parsed_2ks9 1
67 1 2 . . . . . . . . . 374 . HN parsed_2ks9 1
68 1 1 . . . . . . . . . 372 . HA parsed_2ks9 1
68 1 2 . . . . . . . . . 374 . HN parsed_2ks9 1
69 1 1 . . . . . . . . . 374 . HA parsed_2ks9 1
69 1 2 . . . . . . . . . 375 . HN parsed_2ks9 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 . . . . . 3 1.8 4.0 parsed_2ks9 1
2 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
3 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
4 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
5 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
6 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
7 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
8 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
9 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
10 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
11 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
12 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
13 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
14 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
15 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
16 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
17 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
18 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
19 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
20 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
21 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
22 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
23 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
24 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
25 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
26 1 . . . . . 4 1.8 6.0 parsed_2ks9 1
27 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
28 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
29 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
30 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
31 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
32 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
33 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
34 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
35 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
36 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
37 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
38 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
39 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
40 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
41 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
42 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
43 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
44 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
45 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
46 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
47 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
48 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
49 1 . . . . . 3 1.8 3.5 parsed_2ks9 1
50 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
51 1 . . . . . 4 1.8 6.0 parsed_2ks9 1
52 1 . . . . . 4 1.8 6.0 parsed_2ks9 1
53 1 . . . . . 4 1.8 6.0 parsed_2ks9 1
54 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
55 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
56 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
57 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
58 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
59 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
60 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
61 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
62 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
63 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
64 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
65 1 . . . . . 4 1.8 5.0 parsed_2ks9 1
66 1 . . . . . 4 1.8 6.0 parsed_2ks9 1
67 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
68 1 . . . . . 4 1.8 4.0 parsed_2ks9 1
69 1 . . . . . 4 1.8 5.0 parsed_2ks9 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
;
echo=false
wrnlev=0
;
1 1 2 16 parsed_2ks9 1
2
;
Restraints dihedral set
intraresidue i-i
;
3 1 5 19 parsed_2ks9 1
3 "interresidue i-j" 58 1 58 19 parsed_2ks9 1
4
;
echo=true
wrnlev=5
;
79 1 80 16 parsed_2ks9 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ks9
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -54.0 . . 365 . c . 366 . n . 366 . ca . 366 . c parsed_2ks9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -58.0 . . 366 . c . 367 . n . 367 . ca . 367 . c parsed_2ks9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -54.0 . . 367 . c . 368 . n . 368 . ca . 368 . c parsed_2ks9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -58.0 . . 368 . c . 369 . n . 369 . ca . 369 . c parsed_2ks9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -59.0 . . 371 . c . 372 . n . 372 . ca . 372 . c parsed_2ks9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -57.0 . . 373 . c . 374 . n . 374 . ca . 374 . c parsed_2ks9 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
!
! Phi restraints: minimum deviation = 30 degrees
! 366
;
1 1 4 12 parsed_2ks9 1
2 "! 367" 7 3 7 12 parsed_2ks9 1
3 "! 368" 10 3 10 12 parsed_2ks9 1
4 "! 369" 13 3 13 12 parsed_2ks9 1
5 "! 372" 16 3 16 12 parsed_2ks9 1
6 "! 374" 19 3 19 13 parsed_2ks9 1
7 ! 22 3 22 5 parsed_2ks9 1
stop_
save_
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