NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
33627 |
1im1   |
4420 | cing | 2-parsed | STAR | entry | full | 111 |
data_1im1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1im1
_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_1im1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1im1
_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 1im1 "Master copy" parsed_1im1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1im1
_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 1im1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1im1 1
1 1im1.mr . . DYANA/DIANA 2 distance NOE simple 80 parsed_1im1 1
1 1im1.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1im1 1
1 1im1.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_1im1 1
1 1im1.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1im1 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_1im1
_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 PEPTIDE TOXIN 18-NOV-98 1IM1
*TITLE NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1, 20
*TITLE 2 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN IM1;
*COMPND 3 CHAIN: NULL;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 OTHER_DETAILS: NEUROTOXIN
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;
*SOURCE 4 OTHER_DETAILS: VERMIVOROUS MARINE SNAIL
*KEYWDS PEPTIDE TOXIN, NEUROTOXIN, NICOTINIC ACETYLCHOLINE RECEPTOR
*KEYWDS 2 ANTAGONIST, ALPHA-CONOTOXIN, NMR STRUCTURE
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR J.P.ROGERS,P.LUGINBUHL,G.S.SHEN,R.T.MCCABE,R.C.STEVENS,
*AUTHOR 2 D.E.WEMMER
*REVDAT 1 15-JUN-99 1IM1 0
Upper Distance Constraints
==========================
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1im1
_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_1im1 1
2 1 . . . parsed_1im1 1
3 1 . . . parsed_1im1 1
4 1 . . . parsed_1im1 1
5 1 . . . parsed_1im1 1
6 1 . . . parsed_1im1 1
7 1 . . . parsed_1im1 1
8 1 . . . parsed_1im1 1
9 1 . . . parsed_1im1 1
10 1 . . . parsed_1im1 1
11 1 . . . parsed_1im1 1
12 1 . . . parsed_1im1 1
13 1 . . . parsed_1im1 1
14 1 . . . parsed_1im1 1
15 1 . . . parsed_1im1 1
16 1 . . . parsed_1im1 1
17 1 . . . parsed_1im1 1
18 1 . . . parsed_1im1 1
19 1 . . . parsed_1im1 1
20 1 . . . parsed_1im1 1
21 1 . . . parsed_1im1 1
22 1 . . . parsed_1im1 1
23 1 . . . parsed_1im1 1
24 1 . . . parsed_1im1 1
25 1 . . . parsed_1im1 1
26 1 . . . parsed_1im1 1
27 1 . . . parsed_1im1 1
28 1 . . . parsed_1im1 1
29 1 . . . parsed_1im1 1
30 1 . . . parsed_1im1 1
31 1 . . . parsed_1im1 1
32 1 . . . parsed_1im1 1
33 1 . . . parsed_1im1 1
34 1 . . . parsed_1im1 1
35 1 . . . parsed_1im1 1
36 1 . . . parsed_1im1 1
37 1 . . . parsed_1im1 1
38 1 . . . parsed_1im1 1
39 1 . . . parsed_1im1 1
40 1 . . . parsed_1im1 1
41 1 . . . parsed_1im1 1
42 1 . . . parsed_1im1 1
43 1 . . . parsed_1im1 1
44 1 . . . parsed_1im1 1
45 1 . . . parsed_1im1 1
46 1 . . . parsed_1im1 1
47 1 . . . parsed_1im1 1
48 1 . . . parsed_1im1 1
49 1 . . . parsed_1im1 1
50 1 . . . parsed_1im1 1
51 1 . . . parsed_1im1 1
52 1 . . . parsed_1im1 1
53 1 . . . parsed_1im1 1
54 1 . . . parsed_1im1 1
55 1 . . . parsed_1im1 1
56 1 . . . parsed_1im1 1
57 1 . . . parsed_1im1 1
58 1 . . . parsed_1im1 1
59 1 . . . parsed_1im1 1
60 1 . . . parsed_1im1 1
61 1 . . . parsed_1im1 1
62 1 . . . parsed_1im1 1
63 1 . . . parsed_1im1 1
64 1 . . . parsed_1im1 1
65 1 . . . parsed_1im1 1
66 1 . . . parsed_1im1 1
67 1 . . . parsed_1im1 1
68 1 . . . parsed_1im1 1
69 1 . . . parsed_1im1 1
70 1 . . . parsed_1im1 1
71 1 . . . parsed_1im1 1
72 1 . . . parsed_1im1 1
73 1 . . . parsed_1im1 1
74 1 . . . parsed_1im1 1
75 1 . . . parsed_1im1 1
76 1 . . . parsed_1im1 1
77 1 . . . parsed_1im1 1
78 1 . . . parsed_1im1 1
79 1 . . . parsed_1im1 1
80 1 . . . parsed_1im1 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 . . . . . . . . . 1 GLY HA1 parsed_1im1 1
1 1 2 . . . . . . . . . 2 CYSS HN parsed_1im1 1
2 1 1 . . . . . . . . . 1 GLY HA2 parsed_1im1 1
2 1 2 . . . . . . . . . 2 CYSS HN parsed_1im1 1
3 1 1 . . . . . . . . . 1 GLY QA parsed_1im1 1
3 1 2 . . . . . . . . . 3 CYSS HN parsed_1im1 1
4 1 1 . . . . . . . . . 1 GLY QA parsed_1im1 1
4 1 2 . . . . . . . . . 4 SER HN parsed_1im1 1
5 1 1 . . . . . . . . . 2 CYSS HN parsed_1im1 1
5 1 2 . . . . . . . . . 2 CYSS HB2 parsed_1im1 1
6 1 1 . . . . . . . . . 2 CYSS HN parsed_1im1 1
6 1 2 . . . . . . . . . 2 CYSS HB3 parsed_1im1 1
7 1 1 . . . . . . . . . 2 CYSS HN parsed_1im1 1
7 1 2 . . . . . . . . . 2 CYSS QB parsed_1im1 1
8 1 1 . . . . . . . . . 2 CYSS HN parsed_1im1 1
8 1 2 . . . . . . . . . 3 CYSS HN parsed_1im1 1
9 1 1 . . . . . . . . . 2 CYSS HA parsed_1im1 1
9 1 2 . . . . . . . . . 2 CYSS HB2 parsed_1im1 1
10 1 1 . . . . . . . . . 2 CYSS HA parsed_1im1 1
10 1 2 . . . . . . . . . 2 CYSS HB3 parsed_1im1 1
11 1 1 . . . . . . . . . 2 CYSS HA parsed_1im1 1
11 1 2 . . . . . . . . . 5 ASP- HB3 parsed_1im1 1
12 1 1 . . . . . . . . . 2 CYSS QB parsed_1im1 1
12 1 2 . . . . . . . . . 3 CYSS HN parsed_1im1 1
13 1 1 . . . . . . . . . 3 CYSS HN parsed_1im1 1
13 1 2 . . . . . . . . . 3 CYSS HB2 parsed_1im1 1
14 1 1 . . . . . . . . . 3 CYSS HN parsed_1im1 1
14 1 2 . . . . . . . . . 4 SER HN parsed_1im1 1
15 1 1 . . . . . . . . . 3 CYSS HA parsed_1im1 1
15 1 2 . . . . . . . . . 3 CYSS HB3 parsed_1im1 1
16 1 1 . . . . . . . . . 3 CYSS HA parsed_1im1 1
16 1 2 . . . . . . . . . 9 ALA HA parsed_1im1 1
17 1 1 . . . . . . . . . 3 CYSS HB2 parsed_1im1 1
17 1 2 . . . . . . . . . 4 SER HN parsed_1im1 1
18 1 1 . . . . . . . . . 3 CYSS HB2 parsed_1im1 1
18 1 2 . . . . . . . . . 12 CYSS QB parsed_1im1 1
19 1 1 . . . . . . . . . 3 CYSS HB3 parsed_1im1 1
19 1 2 . . . . . . . . . 12 CYSS QB parsed_1im1 1
20 1 1 . . . . . . . . . 5 ASP- HN parsed_1im1 1
20 1 2 . . . . . . . . . 5 ASP- HB2 parsed_1im1 1
21 1 1 . . . . . . . . . 5 ASP- HN parsed_1im1 1
21 1 2 . . . . . . . . . 5 ASP- HB3 parsed_1im1 1
22 1 1 . . . . . . . . . 5 ASP- HA parsed_1im1 1
22 1 2 . . . . . . . . . 5 ASP- HB2 parsed_1im1 1
23 1 1 . . . . . . . . . 5 ASP- HA parsed_1im1 1
23 1 2 . . . . . . . . . 6 PRO HD2 parsed_1im1 1
24 1 1 . . . . . . . . . 5 ASP- HA parsed_1im1 1
24 1 2 . . . . . . . . . 6 PRO HD3 parsed_1im1 1
25 1 1 . . . . . . . . . 5 ASP- HA parsed_1im1 1
25 1 2 . . . . . . . . . 6 PRO QD parsed_1im1 1
26 1 1 . . . . . . . . . 5 ASP- HB3 parsed_1im1 1
26 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
27 1 1 . . . . . . . . . 6 PRO HA parsed_1im1 1
27 1 2 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
28 1 1 . . . . . . . . . 6 PRO HA parsed_1im1 1
28 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
29 1 1 . . . . . . . . . 6 PRO HA parsed_1im1 1
29 1 2 . . . . . . . . . 9 ALA QB parsed_1im1 1
30 1 1 . . . . . . . . . 6 PRO HD2 parsed_1im1 1
30 1 2 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
31 1 1 . . . . . . . . . 6 PRO HD3 parsed_1im1 1
31 1 2 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
32 1 1 . . . . . . . . . 6 PRO QD parsed_1im1 1
32 1 2 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
33 1 1 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
33 1 2 . . . . . . . . . 7 ARG+ HB2 parsed_1im1 1
34 1 1 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
34 1 2 . . . . . . . . . 7 ARG+ HB3 parsed_1im1 1
35 1 1 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
35 1 2 . . . . . . . . . 7 ARG+ QB parsed_1im1 1
36 1 1 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
36 1 2 . . . . . . . . . 7 ARG+ QG parsed_1im1 1
37 1 1 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
37 1 2 . . . . . . . . . 7 ARG+ QD parsed_1im1 1
38 1 1 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
38 1 2 . . . . . . . . . 7 ARG+ HE parsed_1im1 1
39 1 1 . . . . . . . . . 7 ARG+ HN parsed_1im1 1
39 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
40 1 1 . . . . . . . . . 7 ARG+ HA parsed_1im1 1
40 1 2 . . . . . . . . . 7 ARG+ HB2 parsed_1im1 1
41 1 1 . . . . . . . . . 7 ARG+ HA parsed_1im1 1
41 1 2 . . . . . . . . . 7 ARG+ HB3 parsed_1im1 1
42 1 1 . . . . . . . . . 7 ARG+ HA parsed_1im1 1
42 1 2 . . . . . . . . . 7 ARG+ QD parsed_1im1 1
43 1 1 . . . . . . . . . 7 ARG+ HA parsed_1im1 1
43 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
44 1 1 . . . . . . . . . 7 ARG+ HB2 parsed_1im1 1
44 1 2 . . . . . . . . . 7 ARG+ HE parsed_1im1 1
45 1 1 . . . . . . . . . 7 ARG+ HB2 parsed_1im1 1
45 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
46 1 1 . . . . . . . . . 7 ARG+ HB3 parsed_1im1 1
46 1 2 . . . . . . . . . 7 ARG+ HE parsed_1im1 1
47 1 1 . . . . . . . . . 7 ARG+ HB3 parsed_1im1 1
47 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
48 1 1 . . . . . . . . . 7 ARG+ QB parsed_1im1 1
48 1 2 . . . . . . . . . 7 ARG+ HE parsed_1im1 1
49 1 1 . . . . . . . . . 7 ARG+ QB parsed_1im1 1
49 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
50 1 1 . . . . . . . . . 7 ARG+ QG parsed_1im1 1
50 1 2 . . . . . . . . . 8 CYSS HN parsed_1im1 1
51 1 1 . . . . . . . . . 8 CYSS HN parsed_1im1 1
51 1 2 . . . . . . . . . 8 CYSS HB2 parsed_1im1 1
52 1 1 . . . . . . . . . 8 CYSS HN parsed_1im1 1
52 1 2 . . . . . . . . . 8 CYSS HB3 parsed_1im1 1
53 1 1 . . . . . . . . . 8 CYSS HN parsed_1im1 1
53 1 2 . . . . . . . . . 9 ALA HN parsed_1im1 1
54 1 1 . . . . . . . . . 8 CYSS HA parsed_1im1 1
54 1 2 . . . . . . . . . 8 CYSS HB2 parsed_1im1 1
55 1 1 . . . . . . . . . 8 CYSS HA parsed_1im1 1
55 1 2 . . . . . . . . . 9 ALA HN parsed_1im1 1
56 1 1 . . . . . . . . . 8 CYSS HA parsed_1im1 1
56 1 2 . . . . . . . . . 10 TRP HD1 parsed_1im1 1
57 1 1 . . . . . . . . . 9 ALA HN parsed_1im1 1
57 1 2 . . . . . . . . . 10 TRP HN parsed_1im1 1
58 1 1 . . . . . . . . . 9 ALA HN parsed_1im1 1
58 1 2 . . . . . . . . . 10 TRP HD1 parsed_1im1 1
59 1 1 . . . . . . . . . 9 ALA HA parsed_1im1 1
59 1 2 . . . . . . . . . 10 TRP HN parsed_1im1 1
60 1 1 . . . . . . . . . 9 ALA HA parsed_1im1 1
60 1 2 . . . . . . . . . 12 CYSS HN parsed_1im1 1
61 1 1 . . . . . . . . . 9 ALA QB parsed_1im1 1
61 1 2 . . . . . . . . . 12 CYSS HN parsed_1im1 1
62 1 1 . . . . . . . . . 10 TRP HN parsed_1im1 1
62 1 2 . . . . . . . . . 10 TRP HB2 parsed_1im1 1
63 1 1 . . . . . . . . . 10 TRP HN parsed_1im1 1
63 1 2 . . . . . . . . . 10 TRP HB3 parsed_1im1 1
64 1 1 . . . . . . . . . 10 TRP HN parsed_1im1 1
64 1 2 . . . . . . . . . 10 TRP HD1 parsed_1im1 1
65 1 1 . . . . . . . . . 10 TRP HA parsed_1im1 1
65 1 2 . . . . . . . . . 10 TRP HB2 parsed_1im1 1
66 1 1 . . . . . . . . . 10 TRP HA parsed_1im1 1
66 1 2 . . . . . . . . . 10 TRP HB3 parsed_1im1 1
67 1 1 . . . . . . . . . 10 TRP HA parsed_1im1 1
67 1 2 . . . . . . . . . 11 ARG+ HN parsed_1im1 1
68 1 1 . . . . . . . . . 10 TRP HB2 parsed_1im1 1
68 1 2 . . . . . . . . . 10 TRP HE3 parsed_1im1 1
69 1 1 . . . . . . . . . 10 TRP HB2 parsed_1im1 1
69 1 2 . . . . . . . . . 11 ARG+ HN parsed_1im1 1
70 1 1 . . . . . . . . . 10 TRP HB3 parsed_1im1 1
70 1 2 . . . . . . . . . 10 TRP HD1 parsed_1im1 1
71 1 1 . . . . . . . . . 10 TRP HB3 parsed_1im1 1
71 1 2 . . . . . . . . . 10 TRP HE3 parsed_1im1 1
72 1 1 . . . . . . . . . 10 TRP HB3 parsed_1im1 1
72 1 2 . . . . . . . . . 11 ARG+ HN parsed_1im1 1
73 1 1 . . . . . . . . . 11 ARG+ HN parsed_1im1 1
73 1 2 . . . . . . . . . 11 ARG+ QG parsed_1im1 1
74 1 1 . . . . . . . . . 11 ARG+ HN parsed_1im1 1
74 1 2 . . . . . . . . . 12 CYSS HN parsed_1im1 1
75 1 1 . . . . . . . . . 11 ARG+ HA parsed_1im1 1
75 1 2 . . . . . . . . . 11 ARG+ QD parsed_1im1 1
76 1 1 . . . . . . . . . 11 ARG+ HA parsed_1im1 1
76 1 2 . . . . . . . . . 12 CYSS HN parsed_1im1 1
77 1 1 . . . . . . . . . 11 ARG+ QB parsed_1im1 1
77 1 2 . . . . . . . . . 11 ARG+ HE parsed_1im1 1
78 1 1 . . . . . . . . . 12 CYSS HN parsed_1im1 1
78 1 2 . . . . . . . . . 12 CYSS HB2 parsed_1im1 1
79 1 1 . . . . . . . . . 12 CYSS HN parsed_1im1 1
79 1 2 . . . . . . . . . 12 CYSS HB3 parsed_1im1 1
80 1 1 . . . . . . . . . 12 CYSS HN parsed_1im1 1
80 1 2 . . . . . . . . . 12 CYSS QB parsed_1im1 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 . . . . . . . 2.83 parsed_1im1 1
2 1 . . . . . . . 2.83 parsed_1im1 1
3 1 . . . . . . . 5.05 parsed_1im1 1
4 1 . . . . . . . 5.42 parsed_1im1 1
5 1 . . . . . . . 3.17 parsed_1im1 1
6 1 . . . . . . . 3.17 parsed_1im1 1
7 1 . . . . . . . 2.95 parsed_1im1 1
8 1 . . . . . . . 3.05 parsed_1im1 1
9 1 . . . . . . . 2.99 parsed_1im1 1
10 1 . . . . . . . 2.99 parsed_1im1 1
11 1 . . . . . . . 3.30 parsed_1im1 1
12 1 . . . . . . . 3.71 parsed_1im1 1
13 1 . . . . . . . 2.68 parsed_1im1 1
14 1 . . . . . . . 3.24 parsed_1im1 1
15 1 . . . . . . . 2.55 parsed_1im1 1
16 1 . . . . . . . 2.77 parsed_1im1 1
17 1 . . . . . . . 3.73 parsed_1im1 1
18 1 . . . . . . . 6.38 parsed_1im1 1
19 1 . . . . . . . 4.99 parsed_1im1 1
20 1 . . . . . . . 3.17 parsed_1im1 1
21 1 . . . . . . . 2.99 parsed_1im1 1
22 1 . . . . . . . 2.62 parsed_1im1 1
23 1 . . . . . . . 2.55 parsed_1im1 1
24 1 . . . . . . . 2.55 parsed_1im1 1
25 1 . . . . . . . 2.32 parsed_1im1 1
26 1 . . . . . . . 3.24 parsed_1im1 1
27 1 . . . . . . . 3.39 parsed_1im1 1
28 1 . . . . . . . 3.95 parsed_1im1 1
29 1 . . . . . . . 4.14 parsed_1im1 1
30 1 . . . . . . . 5.00 parsed_1im1 1
31 1 . . . . . . . 5.00 parsed_1im1 1
32 1 . . . . . . . 4.80 parsed_1im1 1
33 1 . . . . . . . 3.05 parsed_1im1 1
34 1 . . . . . . . 3.05 parsed_1im1 1
35 1 . . . . . . . 2.81 parsed_1im1 1
36 1 . . . . . . . 4.36 parsed_1im1 1
37 1 . . . . . . . 6.38 parsed_1im1 1
38 1 . . . . . . . 5.50 parsed_1im1 1
39 1 . . . . . . . 2.77 parsed_1im1 1
40 1 . . . . . . . 2.86 parsed_1im1 1
41 1 . . . . . . . 2.86 parsed_1im1 1
42 1 . . . . . . . 6.10 parsed_1im1 1
43 1 . . . . . . . 3.24 parsed_1im1 1
44 1 . . . . . . . 4.60 parsed_1im1 1
45 1 . . . . . . . 4.11 parsed_1im1 1
46 1 . . . . . . . 4.60 parsed_1im1 1
47 1 . . . . . . . 4.11 parsed_1im1 1
48 1 . . . . . . . 4.01 parsed_1im1 1
49 1 . . . . . . . 3.95 parsed_1im1 1
50 1 . . . . . . . 6.38 parsed_1im1 1
51 1 . . . . . . . 2.86 parsed_1im1 1
52 1 . . . . . . . 3.76 parsed_1im1 1
53 1 . . . . . . . 2.86 parsed_1im1 1
54 1 . . . . . . . 2.65 parsed_1im1 1
55 1 . . . . . . . 2.83 parsed_1im1 1
56 1 . . . . . . . 5.00 parsed_1im1 1
57 1 . . . . . . . 3.39 parsed_1im1 1
58 1 . . . . . . . 5.50 parsed_1im1 1
59 1 . . . . . . . 3.64 parsed_1im1 1
60 1 . . . . . . . 4.23 parsed_1im1 1
61 1 . . . . . . . 5.81 parsed_1im1 1
62 1 . . . . . . . 3.30 parsed_1im1 1
63 1 . . . . . . . 2.86 parsed_1im1 1
64 1 . . . . . . . 2.99 parsed_1im1 1
65 1 . . . . . . . 2.55 parsed_1im1 1
66 1 . . . . . . . 2.59 parsed_1im1 1
67 1 . . . . . . . 2.86 parsed_1im1 1
68 1 . . . . . . . 3.11 parsed_1im1 1
69 1 . . . . . . . 4.29 parsed_1im1 1
70 1 . . . . . . . 3.42 parsed_1im1 1
71 1 . . . . . . . 4.07 parsed_1im1 1
72 1 . . . . . . . 4.04 parsed_1im1 1
73 1 . . . . . . . 6.35 parsed_1im1 1
74 1 . . . . . . . 3.45 parsed_1im1 1
75 1 . . . . . . . 6.38 parsed_1im1 1
76 1 . . . . . . . 3.36 parsed_1im1 1
77 1 . . . . . . . 6.38 parsed_1im1 1
78 1 . . . . . . . 3.98 parsed_1im1 1
79 1 . . . . . . . 3.98 parsed_1im1 1
80 1 . . . . . . . 3.70 parsed_1im1 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1im1
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Dihedral Angle Constraints
==========================
;
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1im1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -45.0 . . 2 CYSS . . . . . . . . . . . . . parsed_1im1 1
2 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -235.0 -95.0 . . 2 CYSS . . . . . . . . . . . . . parsed_1im1 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -35.0 . . 3 CYSS . . . . . . . . . . . . . parsed_1im1 1
4 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -35.0 . . 3 CYSS . . . . . . . . . . . . . parsed_1im1 1
5 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 205.0 . . 3 CYSS . . . . . . . . . . . . . parsed_1im1 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -335.0 -25.0 . . 4 SER . . . . . . . . . . . . . parsed_1im1 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 95.0 . . 4 SER . . . . . . . . . . . . . parsed_1im1 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -25.0 . . 5 ASP- . . . . . . . . . . . . . parsed_1im1 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 45.0 . . 5 ASP- . . . . . . . . . . . . . parsed_1im1 1
10 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 175.0 . . 5 ASP- . . . . . . . . . . . . . parsed_1im1 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -75.0 . . 7 ARG+ . . . . . . . . . . . . . parsed_1im1 1
12 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -115.0 . . 7 ARG+ . . . . . . . . . . . . . parsed_1im1 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -95.0 . . 8 CYSS . . . . . . . . . . . . . parsed_1im1 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 235.0 . . 8 CYSS . . . . . . . . . . . . . parsed_1im1 1
15 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -135.0 . . 8 CYSS . . . . . . . . . . . . . parsed_1im1 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -335.0 -25.0 . . 9 ALA . . . . . . . . . . . . . parsed_1im1 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 9 ALA . . . . . . . . . . . . . parsed_1im1 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -35.0 . . 10 TRP . . . . . . . . . . . . . parsed_1im1 1
19 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 10 TRP . . . . . . . . . . . . . parsed_1im1 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 295.0 . . 11 ARG+ . . . . . . . . . . . . . parsed_1im1 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -285.0 45.0 . . 11 ARG+ . . . . . . . . . . . . . parsed_1im1 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 95.0 . . 11 ARG+ . . . . . . . . . . . . . parsed_1im1 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 195.0 . . 11 ARG+ . . . . . . . . . . . . . parsed_1im1 1
24 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 95.0 . . 11 ARG+ . . . . . . . . . . . . . parsed_1im1 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -35.0 . . 12 CYSS . . . . . . . . . . . . . parsed_1im1 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 85.0 . . 12 CYSS . . . . . . . . . . . . . parsed_1im1 1
27 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 25.0 . . 12 CYSS . . . . . . . . . . . . . parsed_1im1 1
28 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 125.0 . . 12 CYSS . . . . . . . . . . . . . parsed_1im1 1
29 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 195.0 . . 12 CYSS . . . . . . . . . . . . . parsed_1im1 1
30 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 225.0 . . 12 CYSS . . . . . . . . . . . . . parsed_1im1 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 325.0 . . 12 CYSS . . . . . . . . . . . . . parsed_1im1 1
stop_
save_
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