Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
31363 | 1e76 RC | 4847 | cing | 2-parsed | STAR | entry | full | 104 |
data_1e76_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1e76
_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_1e76 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1e76
_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 1e76 "Master copy" parsed_1e76
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1e76
_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 1e76.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e76 1
1 1e76.mr . . DYANA/DIANA 2 distance NOE simple 70 parsed_1e76 1
1 1e76.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1e76 1
1 1e76.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1e76 1
1 1e76.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e76 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_1e76
_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 24-AUG-00 1E76
*TITLE NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT
*TITLE 2 MUTATION VARIANT D5N
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN IM1(D5N);
*COMPND 3 CHAIN: A;
*COMPND 4 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;
*SOURCE 4 TISSUE: VENOM;
*SOURCE 5 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC CHEMISTRY.
*SOURCE 6 IM1 SEQUENCE FOUND NATURALLY IN CONUS IMPERIALIS VENOM
*KEYWDS PEPTIDE TOXIN, NEUROTOXIN, NEURONAL NICOTINIC ACETYLCHOLINE
*KEYWDS 2 RECEPTOR ANTAGONIST, ALPHA-CONOTOXIN, NMR SOLUTION
*KEYWDS 3 STRUCTURE
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR J.P.ROGERS,P.LUGINBUHL,K.PEMBERTON,P.HARTY,D.E.WEMMER,
*AUTHOR 2 R.C.STEVENS
Upper Distance Constraints
==========================
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1e76
_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_1e76 1
2 1 . . . parsed_1e76 1
3 1 . . . parsed_1e76 1
4 1 . . . parsed_1e76 1
5 1 . . . parsed_1e76 1
6 1 . . . parsed_1e76 1
7 1 . . . parsed_1e76 1
8 1 . . . parsed_1e76 1
9 1 . . . parsed_1e76 1
10 1 . . . parsed_1e76 1
11 1 . . . parsed_1e76 1
12 1 . . . parsed_1e76 1
13 1 . . . parsed_1e76 1
14 1 . . . parsed_1e76 1
15 1 . . . parsed_1e76 1
16 1 . . . parsed_1e76 1
17 1 . . . parsed_1e76 1
18 1 . . . parsed_1e76 1
19 1 . . . parsed_1e76 1
20 1 . . . parsed_1e76 1
21 1 . . . parsed_1e76 1
22 1 . . . parsed_1e76 1
23 1 . . . parsed_1e76 1
24 1 . . . parsed_1e76 1
25 1 . . . parsed_1e76 1
26 1 . . . parsed_1e76 1
27 1 . . . parsed_1e76 1
28 1 . . . parsed_1e76 1
29 1 . . . parsed_1e76 1
30 1 . . . parsed_1e76 1
31 1 . . . parsed_1e76 1
32 1 . . . parsed_1e76 1
33 1 . . . parsed_1e76 1
34 1 . . . parsed_1e76 1
35 1 . . . parsed_1e76 1
36 1 . . . parsed_1e76 1
37 1 . . . parsed_1e76 1
38 1 . . . parsed_1e76 1
39 1 . . . parsed_1e76 1
40 1 . . . parsed_1e76 1
41 1 . . . parsed_1e76 1
42 1 . . . parsed_1e76 1
43 1 . . . parsed_1e76 1
44 1 . . . parsed_1e76 1
45 1 . . . parsed_1e76 1
46 1 . . . parsed_1e76 1
47 1 . . . parsed_1e76 1
48 1 . . . parsed_1e76 1
49 1 . . . parsed_1e76 1
50 1 . . . parsed_1e76 1
51 1 . . . parsed_1e76 1
52 1 . . . parsed_1e76 1
53 1 . . . parsed_1e76 1
54 1 . . . parsed_1e76 1
55 1 . . . parsed_1e76 1
56 1 . . . parsed_1e76 1
57 1 . . . parsed_1e76 1
58 1 . . . parsed_1e76 1
59 1 . . . parsed_1e76 1
60 1 . . . parsed_1e76 1
61 1 . . . parsed_1e76 1
62 1 . . . parsed_1e76 1
63 1 . . . parsed_1e76 1
64 1 . . . parsed_1e76 1
65 1 . . . parsed_1e76 1
66 1 . . . parsed_1e76 1
67 1 . . . parsed_1e76 1
68 1 . . . parsed_1e76 1
69 1 . . . parsed_1e76 1
70 1 . . . parsed_1e76 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_1e76 1
1 1 2 . . . . . . . . . 2 CYS HN parsed_1e76 1
2 1 1 . . . . . . . . . 1 GLY HA2 parsed_1e76 1
2 1 2 . . . . . . . . . 2 CYS HN parsed_1e76 1
3 1 1 . . . . . . . . . 1 GLY QA parsed_1e76 1
3 1 2 . . . . . . . . . 2 CYS HN parsed_1e76 1
4 1 1 . . . . . . . . . 1 GLY QA parsed_1e76 1
4 1 2 . . . . . . . . . 3 CYS HN parsed_1e76 1
5 1 1 . . . . . . . . . 2 CYS HN parsed_1e76 1
5 1 2 . . . . . . . . . 3 CYS HN parsed_1e76 1
6 1 1 . . . . . . . . . 2 CYS HA parsed_1e76 1
6 1 2 . . . . . . . . . 5 ASN HB2 parsed_1e76 1
7 1 1 . . . . . . . . . 2 CYS QB parsed_1e76 1
7 1 2 . . . . . . . . . 3 CYS HN parsed_1e76 1
8 1 1 . . . . . . . . . 3 CYS HN parsed_1e76 1
8 1 2 . . . . . . . . . 3 CYS HB2 parsed_1e76 1
9 1 1 . . . . . . . . . 3 CYS HN parsed_1e76 1
9 1 2 . . . . . . . . . 3 CYS HB3 parsed_1e76 1
10 1 1 . . . . . . . . . 3 CYS HN parsed_1e76 1
10 1 2 . . . . . . . . . 3 CYS QB parsed_1e76 1
11 1 1 . . . . . . . . . 3 CYS HN parsed_1e76 1
11 1 2 . . . . . . . . . 4 SER HN parsed_1e76 1
12 1 1 . . . . . . . . . 3 CYS HN parsed_1e76 1
12 1 2 . . . . . . . . . 12 CYS HA parsed_1e76 1
13 1 1 . . . . . . . . . 3 CYS HA parsed_1e76 1
13 1 2 . . . . . . . . . 9 ALA HA parsed_1e76 1
14 1 1 . . . . . . . . . 3 CYS QB parsed_1e76 1
14 1 2 . . . . . . . . . 12 CYS QB parsed_1e76 1
15 1 1 . . . . . . . . . 4 SER HN parsed_1e76 1
15 1 2 . . . . . . . . . 4 SER HB2 parsed_1e76 1
16 1 1 . . . . . . . . . 4 SER HN parsed_1e76 1
16 1 2 . . . . . . . . . 4 SER HB3 parsed_1e76 1
17 1 1 . . . . . . . . . 4 SER HN parsed_1e76 1
17 1 2 . . . . . . . . . 5 ASN HN parsed_1e76 1
18 1 1 . . . . . . . . . 4 SER HA parsed_1e76 1
18 1 2 . . . . . . . . . 4 SER HB2 parsed_1e76 1
19 1 1 . . . . . . . . . 4 SER HA parsed_1e76 1
19 1 2 . . . . . . . . . 4 SER HB3 parsed_1e76 1
20 1 1 . . . . . . . . . 4 SER HA parsed_1e76 1
20 1 2 . . . . . . . . . 5 ASN HN parsed_1e76 1
21 1 1 . . . . . . . . . 5 ASN HN parsed_1e76 1
21 1 2 . . . . . . . . . 5 ASN HB2 parsed_1e76 1
22 1 1 . . . . . . . . . 5 ASN HN parsed_1e76 1
22 1 2 . . . . . . . . . 5 ASN HB3 parsed_1e76 1
23 1 1 . . . . . . . . . 5 ASN HA parsed_1e76 1
23 1 2 . . . . . . . . . 5 ASN HB2 parsed_1e76 1
24 1 1 . . . . . . . . . 5 ASN HA parsed_1e76 1
24 1 2 . . . . . . . . . 6 PRO HD2 parsed_1e76 1
25 1 1 . . . . . . . . . 5 ASN HA parsed_1e76 1
25 1 2 . . . . . . . . . 6 PRO HD3 parsed_1e76 1
26 1 1 . . . . . . . . . 5 ASN HA parsed_1e76 1
26 1 2 . . . . . . . . . 6 PRO QD parsed_1e76 1
27 1 1 . . . . . . . . . 5 ASN HB2 parsed_1e76 1
27 1 2 . . . . . . . . . 5 ASN HD21 parsed_1e76 1
28 1 1 . . . . . . . . . 5 ASN HB2 parsed_1e76 1
28 1 2 . . . . . . . . . 6 PRO HD2 parsed_1e76 1
29 1 1 . . . . . . . . . 5 ASN HB2 parsed_1e76 1
29 1 2 . . . . . . . . . 6 PRO HD3 parsed_1e76 1
30 1 1 . . . . . . . . . 5 ASN HB2 parsed_1e76 1
30 1 2 . . . . . . . . . 6 PRO QD parsed_1e76 1
31 1 1 . . . . . . . . . 5 ASN HB3 parsed_1e76 1
31 1 2 . . . . . . . . . 6 PRO QD parsed_1e76 1
32 1 1 . . . . . . . . . 6 PRO HA parsed_1e76 1
32 1 2 . . . . . . . . . 7 ARG HN parsed_1e76 1
33 1 1 . . . . . . . . . 6 PRO HA parsed_1e76 1
33 1 2 . . . . . . . . . 9 ALA QB parsed_1e76 1
34 1 1 . . . . . . . . . 6 PRO QD parsed_1e76 1
34 1 2 . . . . . . . . . 7 ARG HN parsed_1e76 1
35 1 1 . . . . . . . . . 7 ARG HN parsed_1e76 1
35 1 2 . . . . . . . . . 7 ARG HA parsed_1e76 1
36 1 1 . . . . . . . . . 7 ARG HN parsed_1e76 1
36 1 2 . . . . . . . . . 7 ARG HB2 parsed_1e76 1
37 1 1 . . . . . . . . . 7 ARG HN parsed_1e76 1
37 1 2 . . . . . . . . . 7 ARG HB3 parsed_1e76 1
38 1 1 . . . . . . . . . 7 ARG HN parsed_1e76 1
38 1 2 . . . . . . . . . 7 ARG QG parsed_1e76 1
39 1 1 . . . . . . . . . 7 ARG HN parsed_1e76 1
39 1 2 . . . . . . . . . 8 CYS HN parsed_1e76 1
40 1 1 . . . . . . . . . 7 ARG HA parsed_1e76 1
40 1 2 . . . . . . . . . 7 ARG HB2 parsed_1e76 1
41 1 1 . . . . . . . . . 7 ARG HA parsed_1e76 1
41 1 2 . . . . . . . . . 7 ARG QD parsed_1e76 1
42 1 1 . . . . . . . . . 7 ARG HA parsed_1e76 1
42 1 2 . . . . . . . . . 8 CYS HN parsed_1e76 1
43 1 1 . . . . . . . . . 7 ARG HB2 parsed_1e76 1
43 1 2 . . . . . . . . . 7 ARG HE parsed_1e76 1
44 1 1 . . . . . . . . . 7 ARG HB3 parsed_1e76 1
44 1 2 . . . . . . . . . 7 ARG HE parsed_1e76 1
45 1 1 . . . . . . . . . 8 CYS HN parsed_1e76 1
45 1 2 . . . . . . . . . 8 CYS HB2 parsed_1e76 1
46 1 1 . . . . . . . . . 8 CYS HN parsed_1e76 1
46 1 2 . . . . . . . . . 8 CYS HB3 parsed_1e76 1
47 1 1 . . . . . . . . . 8 CYS HN parsed_1e76 1
47 1 2 . . . . . . . . . 8 CYS QB parsed_1e76 1
48 1 1 . . . . . . . . . 8 CYS HN parsed_1e76 1
48 1 2 . . . . . . . . . 9 ALA HN parsed_1e76 1
49 1 1 . . . . . . . . . 8 CYS HA parsed_1e76 1
49 1 2 . . . . . . . . . 9 ALA HN parsed_1e76 1
50 1 1 . . . . . . . . . 9 ALA HN parsed_1e76 1
50 1 2 . . . . . . . . . 9 ALA HA parsed_1e76 1
51 1 1 . . . . . . . . . 9 ALA HN parsed_1e76 1
51 1 2 . . . . . . . . . 10 TRP HN parsed_1e76 1
52 1 1 . . . . . . . . . 9 ALA HA parsed_1e76 1
52 1 2 . . . . . . . . . 10 TRP HN parsed_1e76 1
53 1 1 . . . . . . . . . 10 TRP HN parsed_1e76 1
53 1 2 . . . . . . . . . 10 TRP HB2 parsed_1e76 1
54 1 1 . . . . . . . . . 10 TRP HN parsed_1e76 1
54 1 2 . . . . . . . . . 10 TRP HB3 parsed_1e76 1
55 1 1 . . . . . . . . . 10 TRP HN parsed_1e76 1
55 1 2 . . . . . . . . . 10 TRP HD1 parsed_1e76 1
56 1 1 . . . . . . . . . 10 TRP HN parsed_1e76 1
56 1 2 . . . . . . . . . 11 ARG HN parsed_1e76 1
57 1 1 . . . . . . . . . 10 TRP HA parsed_1e76 1
57 1 2 . . . . . . . . . 10 TRP HD1 parsed_1e76 1
58 1 1 . . . . . . . . . 10 TRP HB2 parsed_1e76 1
58 1 2 . . . . . . . . . 10 TRP HD1 parsed_1e76 1
59 1 1 . . . . . . . . . 10 TRP HB2 parsed_1e76 1
59 1 2 . . . . . . . . . 10 TRP HE3 parsed_1e76 1
60 1 1 . . . . . . . . . 10 TRP HB2 parsed_1e76 1
60 1 2 . . . . . . . . . 11 ARG HN parsed_1e76 1
61 1 1 . . . . . . . . . 10 TRP HB3 parsed_1e76 1
61 1 2 . . . . . . . . . 10 TRP HD1 parsed_1e76 1
62 1 1 . . . . . . . . . 10 TRP HB3 parsed_1e76 1
62 1 2 . . . . . . . . . 10 TRP HE3 parsed_1e76 1
63 1 1 . . . . . . . . . 11 ARG HN parsed_1e76 1
63 1 2 . . . . . . . . . 12 CYS HN parsed_1e76 1
64 1 1 . . . . . . . . . 11 ARG HA parsed_1e76 1
64 1 2 . . . . . . . . . 11 ARG QD parsed_1e76 1
65 1 1 . . . . . . . . . 11 ARG HA parsed_1e76 1
65 1 2 . . . . . . . . . 12 CYS HN parsed_1e76 1
66 1 1 . . . . . . . . . 11 ARG QB parsed_1e76 1
66 1 2 . . . . . . . . . 11 ARG HE parsed_1e76 1
67 1 1 . . . . . . . . . 12 CYS HN parsed_1e76 1
67 1 2 . . . . . . . . . 12 CYS HB2 parsed_1e76 1
68 1 1 . . . . . . . . . 12 CYS HN parsed_1e76 1
68 1 2 . . . . . . . . . 12 CYS HB3 parsed_1e76 1
69 1 1 . . . . . . . . . 12 CYS HN parsed_1e76 1
69 1 2 . . . . . . . . . 12 CYS QB parsed_1e76 1
70 1 1 . . . . . . . . . 12 CYS HN parsed_1e76 1
70 1 2 . . . . . . . . . 13 NH2 1HN parsed_1e76 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 . . . . . . . 3.42 parsed_1e76 1
2 1 . . . . . . . 3.42 parsed_1e76 1
3 1 . . . . . . . 3.23 parsed_1e76 1
4 1 . . . . . . . 5.51 parsed_1e76 1
5 1 . . . . . . . 4.11 parsed_1e76 1
6 1 . . . . . . . 3.79 parsed_1e76 1
7 1 . . . . . . . 3.62 parsed_1e76 1
8 1 . . . . . . . 3.61 parsed_1e76 1
9 1 . . . . . . . 3.61 parsed_1e76 1
10 1 . . . . . . . 3.20 parsed_1e76 1
11 1 . . . . . . . 3.89 parsed_1e76 1
12 1 . . . . . . . 4.29 parsed_1e76 1
13 1 . . . . . . . 4.45 parsed_1e76 1
14 1 . . . . . . . 7.06 parsed_1e76 1
15 1 . . . . . . . 3.48 parsed_1e76 1
16 1 . . . . . . . 3.08 parsed_1e76 1
17 1 . . . . . . . 3.02 parsed_1e76 1
18 1 . . . . . . . 2.68 parsed_1e76 1
19 1 . . . . . . . 2.46 parsed_1e76 1
20 1 . . . . . . . 3.27 parsed_1e76 1
21 1 . . . . . . . 3.08 parsed_1e76 1
22 1 . . . . . . . 3.14 parsed_1e76 1
23 1 . . . . . . . 2.62 parsed_1e76 1
24 1 . . . . . . . 2.77 parsed_1e76 1
25 1 . . . . . . . 2.77 parsed_1e76 1
26 1 . . . . . . . 2.55 parsed_1e76 1
27 1 . . . . . . . 3.21 parsed_1e76 1
28 1 . . . . . . . 4.66 parsed_1e76 1
29 1 . . . . . . . 4.66 parsed_1e76 1
30 1 . . . . . . . 4.50 parsed_1e76 1
31 1 . . . . . . . 6.10 parsed_1e76 1
32 1 . . . . . . . 2.83 parsed_1e76 1
33 1 . . . . . . . 5.26 parsed_1e76 1
34 1 . . . . . . . 5.44 parsed_1e76 1
35 1 . . . . . . . 2.90 parsed_1e76 1
36 1 . . . . . . . 3.17 parsed_1e76 1
37 1 . . . . . . . 2.96 parsed_1e76 1
38 1 . . . . . . . 4.52 parsed_1e76 1
39 1 . . . . . . . 2.55 parsed_1e76 1
40 1 . . . . . . . 2.62 parsed_1e76 1
41 1 . . . . . . . 5.57 parsed_1e76 1
42 1 . . . . . . . 3.55 parsed_1e76 1
43 1 . . . . . . . 5.50 parsed_1e76 1
44 1 . . . . . . . 5.50 parsed_1e76 1
45 1 . . . . . . . 3.95 parsed_1e76 1
46 1 . . . . . . . 3.95 parsed_1e76 1
47 1 . . . . . . . 3.45 parsed_1e76 1
48 1 . . . . . . . 2.55 parsed_1e76 1
49 1 . . . . . . . 2.99 parsed_1e76 1
50 1 . . . . . . . 2.93 parsed_1e76 1
51 1 . . . . . . . 3.27 parsed_1e76 1
52 1 . . . . . . . 3.45 parsed_1e76 1
53 1 . . . . . . . 3.24 parsed_1e76 1
54 1 . . . . . . . 3.30 parsed_1e76 1
55 1 . . . . . . . 3.08 parsed_1e76 1
56 1 . . . . . . . 3.45 parsed_1e76 1
57 1 . . . . . . . 5.50 parsed_1e76 1
58 1 . . . . . . . 3.55 parsed_1e76 1
59 1 . . . . . . . 3.11 parsed_1e76 1
60 1 . . . . . . . 4.14 parsed_1e76 1
61 1 . . . . . . . 3.67 parsed_1e76 1
62 1 . . . . . . . 3.24 parsed_1e76 1
63 1 . . . . . . . 4.66 parsed_1e76 1
64 1 . . . . . . . 6.38 parsed_1e76 1
65 1 . . . . . . . 2.90 parsed_1e76 1
66 1 . . . . . . . 6.38 parsed_1e76 1
67 1 . . . . . . . 3.86 parsed_1e76 1
68 1 . . . . . . . 3.86 parsed_1e76 1
69 1 . . . . . . . 3.63 parsed_1e76 1
70 1 . . . . . . . 5.19 parsed_1e76 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_1e76
_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_1e76
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -35.0 . . 2 CYS . . . . . . . . . . . . . parsed_1e76 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 105.0 . . 2 CYS . . . . . . . . . . . . . parsed_1e76 1
3 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -235.0 95.0 . . 2 CYS . . . . . . . . . . . . . parsed_1e76 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 -55.0 . . 3 CYS . . . . . . . . . . . . . parsed_1e76 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 195.0 . . 3 CYS . . . . . . . . . . . . . parsed_1e76 1
6 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -325.0 -25.0 . . 3 CYS . . . . . . . . . . . . . parsed_1e76 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 4 SER . . . . . . . . . . . . . parsed_1e76 1
8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 95.0 . . 4 SER . . . . . . . . . . . . . parsed_1e76 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 5 ASN . . . . . . . . . . . . . parsed_1e76 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 225.0 . . 5 ASN . . . . . . . . . . . . . parsed_1e76 1
11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 -125.0 . . 5 ASN . . . . . . . . . . . . . parsed_1e76 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -55.0 . . 7 ARG . . . . . . . . . . . . . parsed_1e76 1
13 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 -125.0 . . 7 ARG . . . . . . . . . . . . . parsed_1e76 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 275.0 . . 8 CYS . . . . . . . . . . . . . parsed_1e76 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 65.0 . . 8 CYS . . . . . . . . . . . . . parsed_1e76 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 225.0 . . 8 CYS . . . . . . . . . . . . . parsed_1e76 1
17 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 5.0 . . 8 CYS . . . . . . . . . . . . . parsed_1e76 1
18 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 255.0 . . 8 CYS . . . . . . . . . . . . . parsed_1e76 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 325.0 . . 9 ALA . . . . . . . . . . . . . parsed_1e76 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 9 ALA . . . . . . . . . . . . . parsed_1e76 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 10 TRP . . . . . . . . . . . . . parsed_1e76 1
22 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -75.0 . . 10 TRP . . . . . . . . . . . . . parsed_1e76 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 11 ARG . . . . . . . . . . . . . parsed_1e76 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 185.0 . . 11 ARG . . . . . . . . . . . . . parsed_1e76 1
25 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 335.0 . . 11 ARG . . . . . . . . . . . . . parsed_1e76 1
26 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 105.0 . . 11 ARG . . . . . . . . . . . . . parsed_1e76 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 295.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 95.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 215.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
30 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 25.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 135.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 195.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 225.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
34 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 325.0 . . 12 CYS . . . . . . . . . . . . . parsed_1e76 1
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