NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
613692 |
5l34   |
30152 | cing | 2-parsed | STAR | entry | full | 75 |
data_5l34_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5l34
_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_5l34 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5l34
_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 5l34 "Master copy" parsed_5l34
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5l34
_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 5l34.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5l34 1
1 5l34.mr . . DYANA/DIANA 2 distance NOE simple 73 parsed_5l34 1
1 5l34.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 2 parsed_5l34 1
1 5l34.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5l34 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_5l34
_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 TOXIN 03-AUG-16 5L34
*TITLE CALCULATED SOLUTION STRUCTURE OF [D-TRP3]-CONTRYPHAN-VC2
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: [D-TRP3]-CONTRYPHAN-VC2;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;
*SOURCE 4 ORGANISM_TAXID: 319920
*KEYWDS CONUS PEPTIDE, PEPTIDE TOXIN, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR S.B.DRANE,S.CHHABRA,C.A.MACRAILD
*REVDAT 1 08-MAR-17 5L34 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5l34
_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_5l34 1
2 1 . . . parsed_5l34 1
3 1 . . . parsed_5l34 1
4 1 . . . parsed_5l34 1
5 1 . . . parsed_5l34 1
6 1 . . . parsed_5l34 1
7 1 . . . parsed_5l34 1
8 1 . . . parsed_5l34 1
9 1 . . . parsed_5l34 1
10 1 . . . parsed_5l34 1
11 1 . . . parsed_5l34 1
12 1 . . . parsed_5l34 1
13 1 . . . parsed_5l34 1
14 1 . . . parsed_5l34 1
15 1 . . . parsed_5l34 1
16 1 . . . parsed_5l34 1
17 1 . . . parsed_5l34 1
18 1 . . . parsed_5l34 1
19 1 . . . parsed_5l34 1
20 1 . . . parsed_5l34 1
21 1 . . . parsed_5l34 1
22 1 . . . parsed_5l34 1
23 1 . . . parsed_5l34 1
24 1 . . . parsed_5l34 1
25 1 . . . parsed_5l34 1
26 1 . . . parsed_5l34 1
27 1 . . . parsed_5l34 1
28 1 . . . parsed_5l34 1
29 1 . . . parsed_5l34 1
30 1 . . . parsed_5l34 1
31 1 . . . parsed_5l34 1
32 1 . . . parsed_5l34 1
33 1 . . . parsed_5l34 1
34 1 . . . parsed_5l34 1
35 1 . . . parsed_5l34 1
36 1 . . . parsed_5l34 1
37 1 . . . parsed_5l34 1
38 1 . . . parsed_5l34 1
39 1 . . . parsed_5l34 1
40 1 . . . parsed_5l34 1
41 1 . . . parsed_5l34 1
42 1 . . . parsed_5l34 1
43 1 . . . parsed_5l34 1
44 1 . . . parsed_5l34 1
45 1 . . . parsed_5l34 1
46 1 . . . parsed_5l34 1
47 1 . . . parsed_5l34 1
48 1 . . . parsed_5l34 1
49 1 . . . parsed_5l34 1
50 1 . . . parsed_5l34 1
51 1 . . . parsed_5l34 1
52 1 . . . parsed_5l34 1
53 1 . . . parsed_5l34 1
54 1 . . . parsed_5l34 1
55 1 . . . parsed_5l34 1
56 1 . . . parsed_5l34 1
57 1 . . . parsed_5l34 1
58 1 . . . parsed_5l34 1
59 1 . . . parsed_5l34 1
60 1 . . . parsed_5l34 1
61 1 . . . parsed_5l34 1
62 1 . . . parsed_5l34 1
63 1 . . . parsed_5l34 1
64 1 . . . parsed_5l34 1
65 1 . . . parsed_5l34 1
66 1 . . . parsed_5l34 1
67 1 . . . parsed_5l34 1
68 1 . . . parsed_5l34 1
69 1 . . . parsed_5l34 1
70 1 . . . parsed_5l34 1
71 1 . . . parsed_5l34 1
72 1 . . . parsed_5l34 1
73 1 . . . parsed_5l34 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 . . . . . . . . . 3 DTRP HA parsed_5l34 1
1 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
2 1 1 . . . . . . . . . 2 ARG HA parsed_5l34 1
2 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
3 1 1 . . . . . . . . . 4 THR HB parsed_5l34 1
3 1 2 . . . . . . . . . 6 VAL H parsed_5l34 1
4 1 1 . . . . . . . . . 3 DTRP HH2 parsed_5l34 1
4 1 2 . . . . . . . . . 5 PRO HA parsed_5l34 1
5 1 1 . . . . . . . . . 3 DTRP HZ3 parsed_5l34 1
5 1 2 . . . . . . . . . 4 THR HA parsed_5l34 1
6 1 1 . . . . . . . . . 2 ARG HA parsed_5l34 1
6 1 2 . . . . . . . . . 3 DTRP H parsed_5l34 1
7 1 1 . . . . . . . . . 3 DTRP HB2 parsed_5l34 1
7 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
8 1 1 . . . . . . . . . 3 DTRP HB3 parsed_5l34 1
8 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
9 1 1 . . . . . . . . . 3 DTRP HB2 parsed_5l34 1
9 1 2 . . . . . . . . . 3 DTRP HE3 parsed_5l34 1
10 1 1 . . . . . . . . . 2 ARG HD2 parsed_5l34 1
10 1 2 . . . . . . . . . 3 DTRP HZ2 parsed_5l34 1
11 1 1 . . . . . . . . . 3 DTRP H parsed_5l34 1
11 1 2 . . . . . . . . . 3 DTRP HB3 parsed_5l34 1
12 1 1 . . . . . . . . . 1 CYSS HB2 parsed_5l34 1
12 1 2 . . . . . . . . . 2 ARG H parsed_5l34 1
13 1 1 . . . . . . . . . 6 VAL HB parsed_5l34 1
13 1 2 . . . . . . . . . 7 CYSS H parsed_5l34 1
14 1 1 . . . . . . . . . 2 ARG HD3 parsed_5l34 1
14 1 2 . . . . . . . . . 3 DTRP HE1 parsed_5l34 1
15 1 1 . . . . . . . . . 2 ARG HD2 parsed_5l34 1
15 1 2 . . . . . . . . . 3 DTRP HE1 parsed_5l34 1
16 1 1 . . . . . . . . . 2 ARG H parsed_5l34 1
16 1 2 . . . . . . . . . 2 ARG HB2 parsed_5l34 1
17 1 1 . . . . . . . . . 2 ARG H parsed_5l34 1
17 1 2 . . . . . . . . . 2 ARG HB3 parsed_5l34 1
18 1 1 . . . . . . . . . 2 ARG HB2 parsed_5l34 1
18 1 2 . . . . . . . . . 3 DTRP H parsed_5l34 1
19 1 1 . . . . . . . . . 2 ARG HB3 parsed_5l34 1
19 1 2 . . . . . . . . . 3 DTRP H parsed_5l34 1
20 1 1 . . . . . . . . . 6 VAL QG1 parsed_5l34 1
20 1 2 . . . . . . . . . 7 CYSS H parsed_5l34 1
21 1 1 . . . . . . . . . 4 THR QG2 parsed_5l34 1
21 1 2 . . . . . . . . . 7 CYSS H parsed_5l34 1
22 1 1 . . . . . . . . . 4 THR QG2 parsed_5l34 1
22 1 2 . . . . . . . . . 6 VAL H parsed_5l34 1
23 1 1 . . . . . . . . . 4 THR H parsed_5l34 1
23 1 2 . . . . . . . . . 4 THR QG2 parsed_5l34 1
24 1 1 . . . . . . . . . 6 VAL H parsed_5l34 1
24 1 2 . . . . . . . . . 6 VAL QG1 parsed_5l34 1
25 1 1 . . . . . . . . . 2 ARG HB2 parsed_5l34 1
25 1 2 . . . . . . . . . 2 ARG HE parsed_5l34 1
26 1 1 . . . . . . . . . 2 ARG HB3 parsed_5l34 1
26 1 2 . . . . . . . . . 2 ARG HE parsed_5l34 1
27 1 1 . . . . . . . . . 2 ARG HB2 parsed_5l34 1
27 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
28 1 1 . . . . . . . . . 6 VAL H parsed_5l34 1
28 1 2 . . . . . . . . . 6 VAL HB parsed_5l34 1
29 1 1 . . . . . . . . . 3 DTRP H parsed_5l34 1
29 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
30 1 1 . . . . . . . . . 3 DTRP H parsed_5l34 1
30 1 2 . . . . . . . . . 4 THR H parsed_5l34 1
31 1 1 . . . . . . . . . 3 DTRP H parsed_5l34 1
31 1 2 . . . . . . . . . 3 DTRP HE3 parsed_5l34 1
32 1 1 . . . . . . . . . 6 VAL H parsed_5l34 1
32 1 2 . . . . . . . . . 7 CYSS H parsed_5l34 1
33 1 1 . . . . . . . . . 2 ARG HE parsed_5l34 1
33 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
34 1 1 . . . . . . . . . 4 THR HA parsed_5l34 1
34 1 2 . . . . . . . . . 4 THR QG2 parsed_5l34 1
35 1 1 . . . . . . . . . 6 VAL HA parsed_5l34 1
35 1 2 . . . . . . . . . 6 VAL QG2 parsed_5l34 1
36 1 1 . . . . . . . . . 2 ARG HB3 parsed_5l34 1
36 1 2 . . . . . . . . . 2 ARG HD3 parsed_5l34 1
37 1 1 . . . . . . . . . 2 ARG HB2 parsed_5l34 1
37 1 2 . . . . . . . . . 2 ARG HD3 parsed_5l34 1
38 1 1 . . . . . . . . . 2 ARG HB2 parsed_5l34 1
38 1 2 . . . . . . . . . 2 ARG HD2 parsed_5l34 1
39 1 1 . . . . . . . . . 2 ARG HB3 parsed_5l34 1
39 1 2 . . . . . . . . . 2 ARG HD2 parsed_5l34 1
40 1 1 . . . . . . . . . 2 ARG H parsed_5l34 1
40 1 2 . . . . . . . . . 2 ARG HD2 parsed_5l34 1
41 1 1 . . . . . . . . . 2 ARG HA parsed_5l34 1
41 1 2 . . . . . . . . . 2 ARG HE parsed_5l34 1
42 1 1 . . . . . . . . . 2 ARG H parsed_5l34 1
42 1 2 . . . . . . . . . 2 ARG HE parsed_5l34 1
43 1 1 . . . . . . . . . 2 ARG HA parsed_5l34 1
43 1 2 . . . . . . . . . 2 ARG HD2 parsed_5l34 1
44 1 1 . . . . . . . . . 2 ARG HA parsed_5l34 1
44 1 2 . . . . . . . . . 2 ARG HD3 parsed_5l34 1
45 1 1 . . . . . . . . . 2 ARG H parsed_5l34 1
45 1 2 . . . . . . . . . 3 DTRP H parsed_5l34 1
46 1 1 . . . . . . . . . 1 CYSS HB3 parsed_5l34 1
46 1 2 . . . . . . . . . 2 ARG H parsed_5l34 1
47 1 1 . . . . . . . . . 2 ARG HE parsed_5l34 1
47 1 2 . . . . . . . . . 3 DTRP HE1 parsed_5l34 1
48 1 1 . . . . . . . . . 3 DTRP HZ3 parsed_5l34 1
48 1 2 . . . . . . . . . 5 PRO HA parsed_5l34 1
49 1 1 . . . . . . . . . 3 DTRP H parsed_5l34 1
49 1 2 . . . . . . . . . 4 THR QG2 parsed_5l34 1
50 1 1 . . . . . . . . . 2 ARG HB3 parsed_5l34 1
50 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
51 1 1 . . . . . . . . . 3 DTRP HE3 parsed_5l34 1
51 1 2 . . . . . . . . . 4 THR QG2 parsed_5l34 1
52 1 1 . . . . . . . . . 6 VAL QG1 parsed_5l34 1
52 1 2 . . . . . . . . . 7 CYSS HA parsed_5l34 1
53 1 1 . . . . . . . . . 1 CYSS QB parsed_5l34 1
53 1 2 . . . . . . . . . 2 ARG H parsed_5l34 1
54 1 1 . . . . . . . . . 2 ARG H parsed_5l34 1
54 1 2 . . . . . . . . . 2 ARG QB parsed_5l34 1
55 1 1 . . . . . . . . . 2 ARG H parsed_5l34 1
55 1 2 . . . . . . . . . 2 ARG QG parsed_5l34 1
56 1 1 . . . . . . . . . 2 ARG QB parsed_5l34 1
56 1 2 . . . . . . . . . 2 ARG HD2 parsed_5l34 1
57 1 1 . . . . . . . . . 2 ARG QB parsed_5l34 1
57 1 2 . . . . . . . . . 2 ARG HD3 parsed_5l34 1
58 1 1 . . . . . . . . . 2 ARG QB parsed_5l34 1
58 1 2 . . . . . . . . . 3 DTRP H parsed_5l34 1
59 1 1 . . . . . . . . . 2 ARG QB parsed_5l34 1
59 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
60 1 1 . . . . . . . . . 2 ARG QG parsed_5l34 1
60 1 2 . . . . . . . . . 3 DTRP H parsed_5l34 1
61 1 1 . . . . . . . . . 2 ARG QG parsed_5l34 1
61 1 2 . . . . . . . . . 3 DTRP HD1 parsed_5l34 1
62 1 1 . . . . . . . . . 2 ARG QG parsed_5l34 1
62 1 2 . . . . . . . . . 3 DTRP HE1 parsed_5l34 1
63 1 1 . . . . . . . . . 3 DTRP HE3 parsed_5l34 1
63 1 2 . . . . . . . . . 5 PRO QD parsed_5l34 1
64 1 1 . . . . . . . . . 3 DTRP HZ3 parsed_5l34 1
64 1 2 . . . . . . . . . 5 PRO QB parsed_5l34 1
65 1 1 . . . . . . . . . 3 DTRP HZ3 parsed_5l34 1
65 1 2 . . . . . . . . . 5 PRO QD parsed_5l34 1
66 1 1 . . . . . . . . . 3 DTRP HH2 parsed_5l34 1
66 1 2 . . . . . . . . . 5 PRO QB parsed_5l34 1
67 1 1 . . . . . . . . . 3 DTRP HH2 parsed_5l34 1
67 1 2 . . . . . . . . . 5 PRO QD parsed_5l34 1
68 1 1 . . . . . . . . . 4 THR H parsed_5l34 1
68 1 2 . . . . . . . . . 5 PRO QD parsed_5l34 1
69 1 1 . . . . . . . . . 4 THR HA parsed_5l34 1
69 1 2 . . . . . . . . . 5 PRO QD parsed_5l34 1
70 1 1 . . . . . . . . . 4 THR HB parsed_5l34 1
70 1 2 . . . . . . . . . 5 PRO QD parsed_5l34 1
71 1 1 . . . . . . . . . 5 PRO QB parsed_5l34 1
71 1 2 . . . . . . . . . 6 VAL H parsed_5l34 1
72 1 1 . . . . . . . . . 5 PRO QD parsed_5l34 1
72 1 2 . . . . . . . . . 6 VAL H parsed_5l34 1
73 1 1 . . . . . . . . . 7 CYSS H parsed_5l34 1
73 1 2 . . . . . . . . . 7 CYSS QB parsed_5l34 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 . . . . . . . 4.56 parsed_5l34 1
2 1 . . . . . . . 4.88 parsed_5l34 1
3 1 . . . . . . . 4.57 parsed_5l34 1
4 1 . . . . . . . 4.64 parsed_5l34 1
5 1 . . . . . . . 4.90 parsed_5l34 1
6 1 . . . . . . . 2.72 parsed_5l34 1
7 1 . . . . . . . 3.83 parsed_5l34 1
8 1 . . . . . . . 3.31 parsed_5l34 1
9 1 . . . . . . . 3.82 parsed_5l34 1
10 1 . . . . . . . 4.98 parsed_5l34 1
11 1 . . . . . . . 3.83 parsed_5l34 1
12 1 . . . . . . . 3.85 parsed_5l34 1
13 1 . . . . . . . 4.25 parsed_5l34 1
14 1 . . . . . . . 5.06 parsed_5l34 1
15 1 . . . . . . . 4.73 parsed_5l34 1
16 1 . . . . . . . 3.98 parsed_5l34 1
17 1 . . . . . . . 3.98 parsed_5l34 1
18 1 . . . . . . . 4.64 parsed_5l34 1
19 1 . . . . . . . 4.64 parsed_5l34 1
20 1 . . . . . . . 4.02 parsed_5l34 1
21 1 . . . . . . . 5.03 parsed_5l34 1
22 1 . . . . . . . 4.40 parsed_5l34 1
23 1 . . . . . . . 4.10 parsed_5l34 1
24 1 . . . . . . . 3.23 parsed_5l34 1
25 1 . . . . . . . 4.54 parsed_5l34 1
26 1 . . . . . . . 4.54 parsed_5l34 1
27 1 . . . . . . . 5.42 parsed_5l34 1
28 1 . . . . . . . 3.48 parsed_5l34 1
29 1 . . . . . . . 3.95 parsed_5l34 1
30 1 . . . . . . . 3.81 parsed_5l34 1
31 1 . . . . . . . 4.88 parsed_5l34 1
32 1 . . . . . . . 4.17 parsed_5l34 1
33 1 . . . . . . . 4.69 parsed_5l34 1
34 1 . . . . . . . 3.30 parsed_5l34 1
35 1 . . . . . . . 2.72 parsed_5l34 1
36 1 . . . . . . . 4.03 parsed_5l34 1
37 1 . . . . . . . 4.03 parsed_5l34 1
38 1 . . . . . . . 4.12 parsed_5l34 1
39 1 . . . . . . . 4.12 parsed_5l34 1
40 1 . . . . . . . 5.50 parsed_5l34 1
41 1 . . . . . . . 5.31 parsed_5l34 1
42 1 . . . . . . . 5.50 parsed_5l34 1
43 1 . . . . . . . 5.21 parsed_5l34 1
44 1 . . . . . . . 5.02 parsed_5l34 1
45 1 . . . . . . . 4.82 parsed_5l34 1
46 1 . . . . . . . 3.85 parsed_5l34 1
47 1 . . . . . . . 5.13 parsed_5l34 1
48 1 . . . . . . . 5.41 parsed_5l34 1
49 1 . . . . . . . 5.50 parsed_5l34 1
50 1 . . . . . . . 5.42 parsed_5l34 1
51 1 . . . . . . . 5.34 parsed_5l34 1
52 1 . . . . . . . 4.27 parsed_5l34 1
53 1 . . . . . . . 3.35 parsed_5l34 1
54 1 . . . . . . . 3.48 parsed_5l34 1
55 1 . . . . . . . 4.47 parsed_5l34 1
56 1 . . . . . . . 3.55 parsed_5l34 1
57 1 . . . . . . . 3.48 parsed_5l34 1
58 1 . . . . . . . 3.92 parsed_5l34 1
59 1 . . . . . . . 4.65 parsed_5l34 1
60 1 . . . . . . . 4.27 parsed_5l34 1
61 1 . . . . . . . 4.39 parsed_5l34 1
62 1 . . . . . . . 5.27 parsed_5l34 1
63 1 . . . . . . . 4.99 parsed_5l34 1
64 1 . . . . . . . 5.18 parsed_5l34 1
65 1 . . . . . . . 4.19 parsed_5l34 1
66 1 . . . . . . . 4.35 parsed_5l34 1
67 1 . . . . . . . 5.30 parsed_5l34 1
68 1 . . . . . . . 5.35 parsed_5l34 1
69 1 . . . . . . . 3.23 parsed_5l34 1
70 1 . . . . . . . 3.80 parsed_5l34 1
71 1 . . . . . . . 3.89 parsed_5l34 1
72 1 . . . . . . . 4.07 parsed_5l34 1
73 1 . . . . . . . 3.31 parsed_5l34 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 1: final.upl" 1 1 1 30 parsed_5l34 1
2 "peak 11 #SUP 0.93 #QF 0.93" 2 49 2 75 parsed_5l34 1
3 "peak 15 #SUP 0.47 #QF 0.47" 3 49 3 75 parsed_5l34 1
4 "peak 18 #SUP 0.79 #QF 0.79" 4 49 4 75 parsed_5l34 1
5 "peak 19 #SUP 0.95 #QF 0.95" 5 49 5 75 parsed_5l34 1
6 "peak 20 #SUP 0.35 #QF 0.35" 6 49 6 75 parsed_5l34 1
7 "peak 28 #SUP 0.61 #QF 0.61" 7 49 7 75 parsed_5l34 1
8 "peak 47 #SUP 0.95 #QF 0.95" 8 49 8 75 parsed_5l34 1
9 "peak 59 #SUP 0.89 #QF 0.89" 9 49 9 75 parsed_5l34 1
10 "peak 62 #SUP 0.87 #QF 0.87" 10 49 10 75 parsed_5l34 1
11 "peak 67 #SUP 0.93 #QF 0.93" 11 49 11 75 parsed_5l34 1
12 "peak 70 #SUP 0.97 #QF 0.97" 12 49 12 75 parsed_5l34 1
13 "peak 72 #SUP 0.86 #QF 0.86" 13 49 13 75 parsed_5l34 1
14 "peak 75 #SUP 0.92 #QF 0.92" 14 49 14 75 parsed_5l34 1
15 "peak 76 #SUP 1.00" 15 49 15 66 parsed_5l34 1
16 "peak 77 #SUP 0.99 #QF 0.99" 16 49 16 75 parsed_5l34 1
17 "peak 79 #SUP 0.99 #QF 0.99" 17 49 17 75 parsed_5l34 1
18 "peak 80 #SUP 0.99 #QF 0.99" 18 49 18 75 parsed_5l34 1
19 "peak 82 #SUP 0.99 #QF 0.99" 19 49 19 75 parsed_5l34 1
20 "peak 83 #SUP 1.00" 20 49 20 66 parsed_5l34 1
21 "peak 87 #SUP 0.88 #QF 0.88" 21 49 21 75 parsed_5l34 1
22 "peak 88 #SUP 0.68 #QF 0.68" 22 49 22 75 parsed_5l34 1
23 "peak 91 #SUP 0.92 #QF 0.92" 23 49 23 75 parsed_5l34 1
24 "peak 92 #SUP 0.96 #QF 0.96" 24 49 24 75 parsed_5l34 1
25 "peak 97 #SUP 0.88 #QF 0.88" 25 49 25 75 parsed_5l34 1
26 "peak 100 #SUP 0.96 #QF 0.96" 26 49 26 76 parsed_5l34 1
27 "peak 101 #SUP 0.99 #QF 0.99" 27 49 27 76 parsed_5l34 1
28 "peak 102 #SUP 0.99 #QF 0.99" 28 49 28 76 parsed_5l34 1
29 "peak 106 #SUP 0.94 #QF 0.94" 29 49 29 76 parsed_5l34 1
30 "peak 108 #SUP 0.84 #QF 0.84" 30 49 30 76 parsed_5l34 1
31 "peak 109 #SUP 0.77 #QF 0.77" 31 49 31 76 parsed_5l34 1
32 "peak 110 #SUP 0.83 #QF 0.83" 32 49 32 76 parsed_5l34 1
33 "peak 112 #SUP 0.82 #QF 0.82" 33 49 33 76 parsed_5l34 1
34 "peak 119 #SUP 0.78 #QF 0.78" 34 49 34 76 parsed_5l34 1
35 "peak 155 #SUP 0.80 #QF 0.80" 35 49 35 76 parsed_5l34 1
36 "peak 162 #SUP 0.33 #QF 0.33" 36 49 36 76 parsed_5l34 1
37 "peak 165 #SUP 0.85 #QF 0.85" 37 49 37 76 parsed_5l34 1
38 "peak 166 #SUP 1.00" 38 49 38 67 parsed_5l34 1
39 "peak 167 #SUP 0.98 #QF 0.98" 39 49 39 76 parsed_5l34 1
40 "peak 168 #SUP 0.98 #QF 0.98" 40 49 40 76 parsed_5l34 1
41 "peak 192 #SUP 0.86 #QF 0.86" 41 49 41 76 parsed_5l34 1
42 "peak 195 #SUP 0.98 #QF 0.98" 42 49 42 76 parsed_5l34 1
43 "peak 201 #SUP 0.98 #QF 0.98" 43 49 43 76 parsed_5l34 1
44 "peak 205 #SUP 0.83 #QF 0.83" 44 49 44 76 parsed_5l34 1
45 "peak 206 #SUP 0.93 #QF 0.93" 45 49 45 76 parsed_5l34 1
46 "peak 223 #SUP 0.80 #QF 0.80" 46 49 46 76 parsed_5l34 1
47 "peak 232 #SUP 0.82 #QF 0.82" 47 49 47 76 parsed_5l34 1
48 "peak 239 #SUP 0.75 #QF 0.75" 48 49 48 76 parsed_5l34 1
49 "peak 244 #SUP 0.96 #QF 0.96" 49 49 49 76 parsed_5l34 1
50 "peak 246 #SUP 0.93 #QF 0.93" 50 49 50 76 parsed_5l34 1
51 "peak 253 #SUP 0.98 #QF 0.98" 51 49 51 76 parsed_5l34 1
52 "peak 256 #SUP 0.64 #QF 0.64" 52 49 52 76 parsed_5l34 1
53 "peak 263 #SUP 0.75 #QF 0.75" 53 49 53 76 parsed_5l34 1
54 "peak 72" 54 49 54 56 parsed_5l34 1
55 "peak 80" 55 49 55 56 parsed_5l34 1
56 "peak 85" 56 49 56 56 parsed_5l34 1
57 "peak 167" 57 49 57 57 parsed_5l34 1
58 "peak 166" 58 49 58 57 parsed_5l34 1
59 "peak 83" 59 49 59 56 parsed_5l34 1
60 "peak 102" 60 49 60 57 parsed_5l34 1
61 "peak 84" 61 49 61 56 parsed_5l34 1
62 "peak 96" 62 49 62 56 parsed_5l34 1
63 "peak 78" 63 49 63 56 parsed_5l34 1
64 "peak 258" 64 49 64 57 parsed_5l34 1
65 "peak 242" 65 49 65 57 parsed_5l34 1
66 "peak 45" 66 49 66 56 parsed_5l34 1
67 "peak 105" 67 49 67 57 parsed_5l34 1
68 "peak 243" 68 49 68 57 parsed_5l34 1
69 "peak 243" 69 49 69 57 parsed_5l34 1
70 "peak 124" 70 49 70 57 parsed_5l34 1
71 "peak 125" 71 49 71 57 parsed_5l34 1
72 "peak 107" 72 49 72 57 parsed_5l34 1
73 "peak 44" 73 49 73 56 parsed_5l34 1
74 "peak 66" 74 49 74 56 parsed_5l34 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5l34
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -160 . . 2 ARG . . . . . . . . . . . . . parsed_5l34 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -160 . . 6 VAL . . . . . . . . . . . . . parsed_5l34 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 "Restraints file 2: contryphan_Vc2.aco" 1 1 1 39 parsed_5l34 1
2 "From 3Jna" 2 1 2 11 parsed_5l34 1
3 CHI1 7 1 7 6 parsed_5l34 1
4 "3 DTRP CHI1 0 -120" 8 1 8 32 parsed_5l34 1
stop_
save_
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