NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
29094 |
1aj1   |
cing | 2-parsed | STAR | entry | full | 160 |
data_1aj1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aj1
_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_1aj1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aj1
_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 1aj1 "Master copy" parsed_1aj1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aj1
_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 1aj1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aj1 1
1 1aj1.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1aj1 1
1 1aj1.mr . . DISCOVER 3 distance NOE simple 139 parsed_1aj1 1
1 1aj1.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1aj1 1
1 1aj1.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1aj1 1
1 1aj1.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aj1 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_1aj1
_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 GLYCOSYLTRANSFERASE 14-MAY-97 1AJ1
*TITLE NMR STRUCTURE OF THE LANTIBIOTIC ACTAGARDINE, 15 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ACTAGARDINE;
*COMPND 3 CHAIN: NULL
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOPLANES LIGURIAE AND ACTINOPLANES
*SOURCE 3 GARBADINENSIS;
*SOURCE 4 ATCC: 31048 AND 31049
*KEYWDS PEPTIDE ANTIBIOTIC, LANTIBIOTIC, TRANSGLYCOSYLASE
*KEYWDS 2 INHIBITOR, MUREIN BIOSYNTHESIS INHIBITOR,
*KEYWDS 3 GLYCOSYLTRANSFERASE
*EXPDTA NMR, 15 STRUCTURES
*AUTHOR N.ZIMMERMANN,G.JUNG
*REVDAT 1 15-OCT-97 1AJ1 0
!BIOSYM restraint 1
!
;
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1aj1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1aj1 1
2 1 . . . parsed_1aj1 1
3 1 . . . parsed_1aj1 1
4 1 . . . parsed_1aj1 1
5 1 . . . parsed_1aj1 1
6 1 . . . parsed_1aj1 1
7 1 . . . parsed_1aj1 1
8 1 . . . parsed_1aj1 1
9 1 . . . parsed_1aj1 1
10 1 . . . parsed_1aj1 1
11 1 . . . parsed_1aj1 1
12 1 . . . parsed_1aj1 1
13 1 . . . parsed_1aj1 1
14 1 . . . parsed_1aj1 1
15 1 . . . parsed_1aj1 1
16 1 . . . parsed_1aj1 1
17 1 . . . parsed_1aj1 1
18 1 . . . parsed_1aj1 1
19 1 . . . parsed_1aj1 1
20 1 . . . parsed_1aj1 1
21 1 . . . parsed_1aj1 1
22 1 . . . parsed_1aj1 1
23 1 . . . parsed_1aj1 1
24 1 . . . parsed_1aj1 1
25 1 . . . parsed_1aj1 1
26 1 . . . parsed_1aj1 1
27 1 . . . parsed_1aj1 1
28 1 . . . parsed_1aj1 1
29 1 . . . parsed_1aj1 1
30 1 . . . parsed_1aj1 1
31 1 . . . parsed_1aj1 1
32 1 . . . parsed_1aj1 1
33 1 . . . parsed_1aj1 1
34 1 . . . parsed_1aj1 1
35 1 . . . parsed_1aj1 1
36 1 . . . parsed_1aj1 1
37 1 . . . parsed_1aj1 1
38 1 . . . parsed_1aj1 1
39 1 . . . parsed_1aj1 1
40 1 . . . parsed_1aj1 1
41 1 . . . parsed_1aj1 1
42 1 . . . parsed_1aj1 1
43 1 . . . parsed_1aj1 1
44 1 . . . parsed_1aj1 1
45 1 . . . parsed_1aj1 1
46 1 . . . parsed_1aj1 1
47 1 . . . parsed_1aj1 1
48 1 . . . parsed_1aj1 1
49 1 . . . parsed_1aj1 1
50 1 . . . parsed_1aj1 1
51 1 . . . parsed_1aj1 1
52 1 . . . parsed_1aj1 1
53 1 . . . parsed_1aj1 1
54 1 . . . parsed_1aj1 1
55 1 . . . parsed_1aj1 1
56 1 . . . parsed_1aj1 1
57 1 . . . parsed_1aj1 1
58 1 . . . parsed_1aj1 1
59 1 . . . parsed_1aj1 1
60 1 . . . parsed_1aj1 1
61 1 . . . parsed_1aj1 1
62 1 . . . parsed_1aj1 1
63 1 . . . parsed_1aj1 1
64 1 . . . parsed_1aj1 1
65 1 . . . parsed_1aj1 1
66 1 . . . parsed_1aj1 1
67 1 . . . parsed_1aj1 1
68 1 . . . parsed_1aj1 1
69 1 . . . parsed_1aj1 1
70 1 . . . parsed_1aj1 1
71 1 . . . parsed_1aj1 1
72 1 . . . parsed_1aj1 1
73 1 . . . parsed_1aj1 1
74 1 . . . parsed_1aj1 1
75 1 . . . parsed_1aj1 1
76 1 . . . parsed_1aj1 1
77 1 . . . parsed_1aj1 1
78 1 . . . parsed_1aj1 1
79 1 . . . parsed_1aj1 1
80 1 . . . parsed_1aj1 1
81 1 . . . parsed_1aj1 1
82 1 . . . parsed_1aj1 1
83 1 . . . parsed_1aj1 1
84 1 . . . parsed_1aj1 1
85 1 . . . parsed_1aj1 1
86 1 . . . parsed_1aj1 1
87 1 . . . parsed_1aj1 1
88 1 . . . parsed_1aj1 1
89 1 . . . parsed_1aj1 1
90 1 . . . parsed_1aj1 1
91 1 . . . parsed_1aj1 1
92 1 . . . parsed_1aj1 1
93 1 . . . parsed_1aj1 1
94 1 . . . parsed_1aj1 1
95 1 . . . parsed_1aj1 1
96 1 . . . parsed_1aj1 1
97 1 . . . parsed_1aj1 1
98 1 . . . parsed_1aj1 1
99 1 . . . parsed_1aj1 1
100 1 . . . parsed_1aj1 1
101 1 . . . parsed_1aj1 1
102 1 . . . parsed_1aj1 1
103 1 . . . parsed_1aj1 1
104 1 . . . parsed_1aj1 1
105 1 . . . parsed_1aj1 1
106 1 . . . parsed_1aj1 1
107 1 . . . parsed_1aj1 1
108 1 . . . parsed_1aj1 1
109 1 . . . parsed_1aj1 1
110 1 . . . parsed_1aj1 1
111 1 . . . parsed_1aj1 1
112 1 . . . parsed_1aj1 1
113 1 . . . parsed_1aj1 1
114 1 . . . parsed_1aj1 1
115 1 . . . parsed_1aj1 1
116 1 . . . parsed_1aj1 1
117 1 . . . parsed_1aj1 1
118 1 . . . parsed_1aj1 1
119 1 . . . parsed_1aj1 1
120 1 . . . parsed_1aj1 1
121 1 . . . parsed_1aj1 1
122 1 . . . parsed_1aj1 1
123 1 . . . parsed_1aj1 1
124 1 . . . parsed_1aj1 1
125 1 . . . parsed_1aj1 1
126 1 . . . parsed_1aj1 1
127 1 . . . parsed_1aj1 1
128 1 . . . parsed_1aj1 1
129 1 . . . parsed_1aj1 1
130 1 . . . parsed_1aj1 1
131 1 . . . parsed_1aj1 1
132 1 . . . parsed_1aj1 1
133 1 . . . parsed_1aj1 1
134 1 . . . parsed_1aj1 1
135 1 . . . parsed_1aj1 1
136 1 . . . parsed_1aj1 1
137 1 . . . parsed_1aj1 1
138 1 . . . parsed_1aj1 1
139 1 . . . parsed_1aj1 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 4 TRP HBR parsed_1aj1 1
1 1 2 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
2 1 1 . . . . . . . . 1 14 MLA HA parsed_1aj1 1
2 1 2 . . . . . . . . 1 14 MLA HG2* parsed_1aj1 1
3 1 1 . . . . . . . . 1 10 ILE HA parsed_1aj1 1
3 1 2 . . . . . . . . 1 10 ILE HN parsed_1aj1 1
4 1 1 . . . . . . . . 1 18 ALA HA parsed_1aj1 1
4 1 2 . . . . . . . . 1 18 ALA HN parsed_1aj1 1
5 1 1 . . . . . . . . 1 4 TRP HBS parsed_1aj1 1
5 1 2 . . . . . . . . 1 4 TRP HN parsed_1aj1 1
6 1 1 . . . . . . . . 1 12 LAS HN parsed_1aj1 1
6 1 2 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
7 1 1 . . . . . . . . 1 18 ALA HA parsed_1aj1 1
7 1 2 . . . . . . . . 1 18 ALA HB* parsed_1aj1 1
8 1 1 . . . . . . . . 1 18 ALA HA parsed_1aj1 1
8 1 2 . . . . . . . . 1 19 LAS HA parsed_1aj1 1
9 1 1 . . . . . . . . 1 18 ALA HA parsed_1aj1 1
9 1 2 . . . . . . . . 1 19 LAS HN parsed_1aj1 1
10 1 1 . . . . . . . . 1 18 ALA HN parsed_1aj1 1
10 1 2 . . . . . . . . 1 18 ALA HB* parsed_1aj1 1
11 1 1 . . . . . . . . 1 11 GLU HA parsed_1aj1 1
11 1 2 . . . . . . . . 1 11 GLU HBR parsed_1aj1 1
12 1 1 . . . . . . . . 1 11 GLU HA parsed_1aj1 1
12 1 2 . . . . . . . . 1 11 GLU HBS parsed_1aj1 1
13 1 1 . . . . . . . . 1 11 GLU HA parsed_1aj1 1
13 1 2 . . . . . . . . 1 11 GLU HG* parsed_1aj1 1
14 1 1 . . . . . . . . 1 11 GLU HA parsed_1aj1 1
14 1 2 . . . . . . . . 1 12 LAS HN parsed_1aj1 1
15 1 1 . . . . . . . . 1 11 GLU HBR parsed_1aj1 1
15 1 2 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
16 1 1 . . . . . . . . 1 11 GLU HG* parsed_1aj1 1
16 1 2 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
17 1 1 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
17 1 2 . . . . . . . . 1 11 GLU HBS parsed_1aj1 1
18 1 1 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
18 1 2 . . . . . . . . 1 10 ILE HB parsed_1aj1 1
19 1 1 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
19 1 2 . . . . . . . . 1 10 ILE HG1* parsed_1aj1 1
20 1 1 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
20 1 2 . . . . . . . . 1 10 ILE HG2* parsed_1aj1 1
21 1 1 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
21 1 2 . . . . . . . . 1 10 ILE HN parsed_1aj1 1
22 1 1 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
22 1 2 . . . . . . . . 1 12 LAS HN parsed_1aj1 1
23 1 1 . . . . . . . . 1 13 GLY HN parsed_1aj1 1
23 1 2 . . . . . . . . 1 14 MLA HG2* parsed_1aj1 1
24 1 1 . . . . . . . . 1 3 GLY HA* parsed_1aj1 1
24 1 2 . . . . . . . . 1 3 GLY HN parsed_1aj1 1
25 1 1 . . . . . . . . 1 3 GLY HA* parsed_1aj1 1
25 1 2 . . . . . . . . 1 4 TRP HN parsed_1aj1 1
26 1 1 . . . . . . . . 1 10 ILE HA parsed_1aj1 1
26 1 2 . . . . . . . . 1 10 ILE HB parsed_1aj1 1
27 1 1 . . . . . . . . 1 10 ILE HA parsed_1aj1 1
27 1 2 . . . . . . . . 1 10 ILE HG1* parsed_1aj1 1
28 1 1 . . . . . . . . 1 10 ILE HN parsed_1aj1 1
28 1 2 . . . . . . . . 1 10 ILE HB parsed_1aj1 1
29 1 1 . . . . . . . . 1 10 ILE HN parsed_1aj1 1
29 1 2 . . . . . . . . 1 10 ILE HG1* parsed_1aj1 1
30 1 1 . . . . . . . . 1 10 ILE HN parsed_1aj1 1
30 1 2 . . . . . . . . 1 10 ILE HG2* parsed_1aj1 1
31 1 1 . . . . . . . . 1 10 ILE HN parsed_1aj1 1
31 1 2 . . . . . . . . 1 8 LEU HN parsed_1aj1 1
32 1 1 . . . . . . . . 1 10 ILE HN parsed_1aj1 1
32 1 2 . . . . . . . . 1 9 MLA HN parsed_1aj1 1
33 1 1 . . . . . . . . 1 16 ILE HN parsed_1aj1 1
33 1 2 . . . . . . . . 1 16 ILE HB parsed_1aj1 1
34 1 1 . . . . . . . . 1 16 ILE HN parsed_1aj1 1
34 1 2 . . . . . . . . 1 16 ILE HG1* parsed_1aj1 1
35 1 1 . . . . . . . . 1 16 ILE HN parsed_1aj1 1
35 1 2 . . . . . . . . 1 17 LAS HN parsed_1aj1 1
36 1 1 . . . . . . . . 1 1 LAN HA parsed_1aj1 1
36 1 2 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
37 1 1 . . . . . . . . 1 1 LAN HB* parsed_1aj1 1
37 1 2 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
38 1 1 . . . . . . . . 1 1 LAN HB* parsed_1aj1 1
38 1 2 . . . . . . . . 1 7 MLA HN parsed_1aj1 1
39 1 1 . . . . . . . . 1 1 LAN HB* parsed_1aj1 1
39 1 2 . . . . . . . . 1 2 SER HN parsed_1aj1 1
40 1 1 . . . . . . . . 1 12 LAS HA parsed_1aj1 1
40 1 2 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
41 1 1 . . . . . . . . 1 12 LAS HA parsed_1aj1 1
41 1 2 . . . . . . . . 1 12 LAS HN parsed_1aj1 1
42 1 1 . . . . . . . . 1 12 LAS HA parsed_1aj1 1
42 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
43 1 1 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
43 1 2 . . . . . . . . 1 16 ILE HB parsed_1aj1 1
44 1 1 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
44 1 2 . . . . . . . . 1 16 ILE HG2* parsed_1aj1 1
45 1 1 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
45 1 2 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
46 1 1 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
46 1 2 . . . . . . . . 1 12 LAS HN parsed_1aj1 1
47 1 1 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
47 1 2 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
48 1 1 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
48 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
49 1 1 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
49 1 2 . . . . . . . . 1 13 GLY HN parsed_1aj1 1
50 1 1 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
50 1 2 . . . . . . . . 1 16 ILE HB parsed_1aj1 1
51 1 1 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
51 1 2 . . . . . . . . 1 16 ILE HG2* parsed_1aj1 1
52 1 1 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
52 1 2 . . . . . . . . 1 12 LAS HN parsed_1aj1 1
53 1 1 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
53 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
54 1 1 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
54 1 2 . . . . . . . . 1 7 MLA HN parsed_1aj1 1
55 1 1 . . . . . . . . 1 12 LAS HN parsed_1aj1 1
55 1 2 . . . . . . . . 1 13 GLY HN parsed_1aj1 1
56 1 1 . . . . . . . . 1 17 LAS HA parsed_1aj1 1
56 1 2 . . . . . . . . 1 18 ALA HB* parsed_1aj1 1
57 1 1 . . . . . . . . 1 17 LAS HA parsed_1aj1 1
57 1 2 . . . . . . . . 1 18 ALA HN parsed_1aj1 1
58 1 1 . . . . . . . . 1 17 LAS HA parsed_1aj1 1
58 1 2 . . . . . . . . 1 16 ILE HG2* parsed_1aj1 1
59 1 1 . . . . . . . . 1 17 LAS HA parsed_1aj1 1
59 1 2 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
60 1 1 . . . . . . . . 1 17 LAS HA parsed_1aj1 1
60 1 2 . . . . . . . . 1 17 LAS HN parsed_1aj1 1
61 1 1 . . . . . . . . 1 17 LAS HA parsed_1aj1 1
61 1 2 . . . . . . . . 1 9 MLA HG2* parsed_1aj1 1
62 1 1 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
62 1 2 . . . . . . . . 1 18 ALA HB* parsed_1aj1 1
63 1 1 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
63 1 2 . . . . . . . . 1 18 ALA HN parsed_1aj1 1
64 1 1 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
64 1 2 . . . . . . . . 1 10 ILE HG2* parsed_1aj1 1
65 1 1 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
65 1 2 . . . . . . . . 1 12 LAS HBS parsed_1aj1 1
66 1 1 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
66 1 2 . . . . . . . . 1 17 LAS HN parsed_1aj1 1
67 1 1 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
67 1 2 . . . . . . . . 1 19 LAS HN parsed_1aj1 1
68 1 1 . . . . . . . . 1 17 LAS HB* parsed_1aj1 1
68 1 2 . . . . . . . . 1 9 MLA HG2* parsed_1aj1 1
69 1 1 . . . . . . . . 1 17 LAS HN parsed_1aj1 1
69 1 2 . . . . . . . . 1 16 ILE HB parsed_1aj1 1
70 1 1 . . . . . . . . 1 17 LAS HN parsed_1aj1 1
70 1 2 . . . . . . . . 1 16 ILE HG2* parsed_1aj1 1
71 1 1 . . . . . . . . 1 19 LAS HA parsed_1aj1 1
71 1 2 . . . . . . . . 1 11 GLU HG* parsed_1aj1 1
72 1 1 . . . . . . . . 1 19 LAS HA parsed_1aj1 1
72 1 2 . . . . . . . . 1 11 GLU HN parsed_1aj1 1
73 1 1 . . . . . . . . 1 19 LAS HA parsed_1aj1 1
73 1 2 . . . . . . . . 1 19 LAS HBS parsed_1aj1 1
74 1 1 . . . . . . . . 1 19 LAS HBR parsed_1aj1 1
74 1 2 . . . . . . . . 1 19 LAS HN parsed_1aj1 1
75 1 1 . . . . . . . . 1 19 LAS HBR parsed_1aj1 1
75 1 2 . . . . . . . . 1 14 MLA HG2* parsed_1aj1 1
76 1 1 . . . . . . . . 1 19 LAS HBS parsed_1aj1 1
76 1 2 . . . . . . . . 1 19 LAS HBR parsed_1aj1 1
77 1 1 . . . . . . . . 1 19 LAS HBS parsed_1aj1 1
77 1 2 . . . . . . . . 1 19 LAS HN parsed_1aj1 1
78 1 1 . . . . . . . . 1 19 LAS HBS parsed_1aj1 1
78 1 2 . . . . . . . . 1 14 MLA HG2* parsed_1aj1 1
79 1 1 . . . . . . . . 1 19 LAS HN parsed_1aj1 1
79 1 2 . . . . . . . . 1 18 ALA HB* parsed_1aj1 1
80 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
80 1 2 . . . . . . . . 1 1 LAN HA parsed_1aj1 1
81 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
81 1 2 . . . . . . . . 1 1 LAN HB* parsed_1aj1 1
82 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
82 1 2 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
83 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
83 1 2 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
84 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
84 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
85 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
85 1 2 . . . . . . . . 1 7 MLA HN parsed_1aj1 1
86 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
86 1 2 . . . . . . . . 1 5 VAL HB parsed_1aj1 1
87 1 1 . . . . . . . . 1 6 LAS HA parsed_1aj1 1
87 1 2 . . . . . . . . 1 5 VAL HG* parsed_1aj1 1
88 1 1 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
88 1 2 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
89 1 1 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
89 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
90 1 1 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
90 1 2 . . . . . . . . 1 7 MLA HN parsed_1aj1 1
91 1 1 . . . . . . . . 1 6 LAS HBS parsed_1aj1 1
91 1 2 . . . . . . . . 1 6 LAS HBR parsed_1aj1 1
92 1 1 . . . . . . . . 1 6 LAS HBS parsed_1aj1 1
92 1 2 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
93 1 1 . . . . . . . . 1 6 LAS HBS parsed_1aj1 1
93 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
94 1 1 . . . . . . . . 1 6 LAS HBS parsed_1aj1 1
94 1 2 . . . . . . . . 1 7 MLA HN parsed_1aj1 1
95 1 1 . . . . . . . . 1 6 LAS HBS parsed_1aj1 1
95 1 2 . . . . . . . . 1 5 VAL HB parsed_1aj1 1
96 1 1 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
96 1 2 . . . . . . . . 1 5 VAL HB parsed_1aj1 1
97 1 1 . . . . . . . . 1 8 LEU HA parsed_1aj1 1
97 1 2 . . . . . . . . 1 8 LEU HB* parsed_1aj1 1
98 1 1 . . . . . . . . 1 8 LEU HA parsed_1aj1 1
98 1 2 . . . . . . . . 1 8 LEU HD* parsed_1aj1 1
99 1 1 . . . . . . . . 1 8 LEU HA parsed_1aj1 1
99 1 2 . . . . . . . . 1 9 MLA HG2* parsed_1aj1 1
100 1 1 . . . . . . . . 1 8 LEU HN parsed_1aj1 1
100 1 2 . . . . . . . . 1 8 LEU HB* parsed_1aj1 1
101 1 1 . . . . . . . . 1 14 MLA HA parsed_1aj1 1
101 1 2 . . . . . . . . 1 14 MLA HN parsed_1aj1 1
102 1 1 . . . . . . . . 1 14 MLA HA parsed_1aj1 1
102 1 2 . . . . . . . . 1 15 VAL HG* parsed_1aj1 1
103 1 1 . . . . . . . . 1 14 MLA HA parsed_1aj1 1
103 1 2 . . . . . . . . 1 15 VAL HN parsed_1aj1 1
104 1 1 . . . . . . . . 1 14 MLA HN parsed_1aj1 1
104 1 2 . . . . . . . . 1 14 MLA HG2* parsed_1aj1 1
105 1 1 . . . . . . . . 1 14 MLA HN parsed_1aj1 1
105 1 2 . . . . . . . . 1 15 VAL HN parsed_1aj1 1
106 1 1 . . . . . . . . 1 7 MLA HA parsed_1aj1 1
106 1 2 . . . . . . . . 1 7 MLA HN parsed_1aj1 1
107 1 1 . . . . . . . . 1 7 MLA HB parsed_1aj1 1
107 1 2 . . . . . . . . 1 16 ILE HG2* parsed_1aj1 1
108 1 1 . . . . . . . . 1 7 MLA HB parsed_1aj1 1
108 1 2 . . . . . . . . 1 12 LAS HBR parsed_1aj1 1
109 1 1 . . . . . . . . 1 7 MLA HB parsed_1aj1 1
109 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
110 1 1 . . . . . . . . 1 7 MLA HN parsed_1aj1 1
110 1 2 . . . . . . . . 1 7 MLA HG2* parsed_1aj1 1
111 1 1 . . . . . . . . 1 9 MLA HB parsed_1aj1 1
111 1 2 . . . . . . . . 1 9 MLA HG2* parsed_1aj1 1
112 1 1 . . . . . . . . 1 9 MLA HN parsed_1aj1 1
112 1 2 . . . . . . . . 1 8 LEU HN parsed_1aj1 1
113 1 1 . . . . . . . . 1 9 MLA HN parsed_1aj1 1
113 1 2 . . . . . . . . 1 9 MLA HG2* parsed_1aj1 1
114 1 1 . . . . . . . . 1 2 SER HA parsed_1aj1 1
114 1 2 . . . . . . . . 1 3 GLY HN parsed_1aj1 1
115 1 1 . . . . . . . . 1 2 SER HN parsed_1aj1 1
115 1 2 . . . . . . . . 1 3 GLY HN parsed_1aj1 1
116 1 1 . . . . . . . . 1 2 SER HN parsed_1aj1 1
116 1 2 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
117 1 1 . . . . . . . . 1 2 SER HN parsed_1aj1 1
117 1 2 . . . . . . . . 1 5 VAL HG* parsed_1aj1 1
118 1 1 . . . . . . . . 1 4 TRP HA parsed_1aj1 1
118 1 2 . . . . . . . . 1 4 TRP HBR parsed_1aj1 1
119 1 1 . . . . . . . . 1 4 TRP HA parsed_1aj1 1
119 1 2 . . . . . . . . 1 4 TRP HBS parsed_1aj1 1
120 1 1 . . . . . . . . 1 4 TRP HBR parsed_1aj1 1
120 1 2 . . . . . . . . 1 4 TRP HN parsed_1aj1 1
121 1 1 . . . . . . . . 1 4 TRP HBR parsed_1aj1 1
121 1 2 . . . . . . . . 1 5 VAL HG* parsed_1aj1 1
122 1 1 . . . . . . . . 1 4 TRP HBR parsed_1aj1 1
122 1 2 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
123 1 1 . . . . . . . . 1 4 TRP HBS parsed_1aj1 1
123 1 2 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
124 1 1 . . . . . . . . 1 4 TRP HE1 parsed_1aj1 1
124 1 2 . . . . . . . . 1 4 TRP HZ2 parsed_1aj1 1
125 1 1 . . . . . . . . 1 15 VAL HA parsed_1aj1 1
125 1 2 . . . . . . . . 1 16 ILE HN parsed_1aj1 1
126 1 1 . . . . . . . . 1 15 VAL HA parsed_1aj1 1
126 1 2 . . . . . . . . 1 15 VAL HB parsed_1aj1 1
127 1 1 . . . . . . . . 1 15 VAL HA parsed_1aj1 1
127 1 2 . . . . . . . . 1 15 VAL HG* parsed_1aj1 1
128 1 1 . . . . . . . . 1 15 VAL HA parsed_1aj1 1
128 1 2 . . . . . . . . 1 15 VAL HN parsed_1aj1 1
129 1 1 . . . . . . . . 1 15 VAL HN parsed_1aj1 1
129 1 2 . . . . . . . . 1 14 MLA HG2* parsed_1aj1 1
130 1 1 . . . . . . . . 1 15 VAL HN parsed_1aj1 1
130 1 2 . . . . . . . . 1 15 VAL HB parsed_1aj1 1
131 1 1 . . . . . . . . 1 5 VAL HA parsed_1aj1 1
131 1 2 . . . . . . . . 1 5 VAL HB parsed_1aj1 1
132 1 1 . . . . . . . . 1 5 VAL HA parsed_1aj1 1
132 1 2 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
133 1 1 . . . . . . . . 1 5 VAL HA parsed_1aj1 1
133 1 2 . . . . . . . . 1 5 VAL HG* parsed_1aj1 1
134 1 1 . . . . . . . . 1 5 VAL HA parsed_1aj1 1
134 1 2 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
135 1 1 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
135 1 2 . . . . . . . . 1 6 LAS HN parsed_1aj1 1
136 1 1 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
136 1 2 . . . . . . . . 1 2 SER HN parsed_1aj1 1
137 1 1 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
137 1 2 . . . . . . . . 1 4 TRP HN parsed_1aj1 1
138 1 1 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
138 1 2 . . . . . . . . 1 5 VAL HB parsed_1aj1 1
139 1 1 . . . . . . . . 1 5 VAL HN parsed_1aj1 1
139 1 2 . . . . . . . . 1 5 VAL HG* parsed_1aj1 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 . . . . . . 1.869 5.001 parsed_1aj1 1
2 1 . . . . . . 2.200 4.200 parsed_1aj1 1
3 1 . . . . . . 2.838 4.023 parsed_1aj1 1
4 1 . . . . . . 2.530 3.539 parsed_1aj1 1
5 1 . . . . . . 3.131 4.605 parsed_1aj1 1
6 1 . . . . . . 1.800 5.000 parsed_1aj1 1
7 1 . . . . . 2.965 1.900 3.965 parsed_1aj1 1
8 1 . . . . . 2.842 2.734 2.842 parsed_1aj1 1
9 1 . . . . . 2.519 2.183 2.519 parsed_1aj1 1
10 1 . . . . . 3.114 1.626 4.114 parsed_1aj1 1
11 1 . . . . . 3.414 2.185 3.414 parsed_1aj1 1
12 1 . . . . . 3.495 2.686 3.495 parsed_1aj1 1
13 1 . . . . . 4.030 2.741 5.030 parsed_1aj1 1
14 1 . . . . . 3.039 2.525 3.039 parsed_1aj1 1
15 1 . . . . . 3.862 3.457 3.862 parsed_1aj1 1
16 1 . . . . . 4.117 2.800 5.117 parsed_1aj1 1
17 1 . . . . . 3.295 2.893 3.295 parsed_1aj1 1
18 1 . . . . . 4.294 3.613 4.294 parsed_1aj1 1
19 1 . . . . . 5.062 3.762 6.062 parsed_1aj1 1
20 1 . . . . . 4.356 2.832 5.356 parsed_1aj1 1
21 1 . . . . . 3.746 3.578 3.746 parsed_1aj1 1
22 1 . . . . . 2.894 2.736 2.894 parsed_1aj1 1
23 1 . . . . . 4.557 3.569 5.057 parsed_1aj1 1
24 1 . . . . . 2.914 2.714 2.914 parsed_1aj1 1
25 1 . . . . . 3.070 2.983 3.070 parsed_1aj1 1
26 1 . . . . . 3.544 3.031 3.544 parsed_1aj1 1
27 1 . . . . . 4.603 3.412 4.903 parsed_1aj1 1
28 1 . . . . . 3.151 2.752 3.151 parsed_1aj1 1
29 1 . . . . . 3.983 3.072 4.483 parsed_1aj1 1
30 1 . . . . . 4.516 3.175 5.316 parsed_1aj1 1
31 1 . . . . . 3.196 3.147 3.196 parsed_1aj1 1
32 1 . . . . . 2.859 2.382 2.859 parsed_1aj1 1
33 1 . . . . . 2.631 2.280 2.631 parsed_1aj1 1
34 1 . . . . . 3.024 2.624 3.924 parsed_1aj1 1
35 1 . . . . . 2.879 2.783 2.879 parsed_1aj1 1
36 1 . . . . . 4.043 2.652 4.343 parsed_1aj1 1
37 1 . . . . . 5.000 3.100 5.000 parsed_1aj1 1
38 1 . . . . . 4.314 3.304 4.814 parsed_1aj1 1
39 1 . . . . . 3.114 2.618 4.014 parsed_1aj1 1
40 1 . . . . . 2.765 2.453 2.765 parsed_1aj1 1
41 1 . . . . . 3.087 2.418 3.087 parsed_1aj1 1
42 1 . . . . . 2.895 1.700 3.395 parsed_1aj1 1
43 1 . . . . . 3.457 1.951 4.667 parsed_1aj1 1
44 1 . . . . . 3.818 2.719 4.818 parsed_1aj1 1
45 1 . . . . . 1.897 1.766 1.897 parsed_1aj1 1
46 1 . . . . . 4.224 2.472 4.224 parsed_1aj1 1
47 1 . . . . . 5.000 3.848 5.000 parsed_1aj1 1
48 1 . . . . . 2.665 1.940 3.165 parsed_1aj1 1
49 1 . . . . . 5.000 3.012 5.000 parsed_1aj1 1
50 1 . . . . . 4.429 3.404 4.429 parsed_1aj1 1
51 1 . . . . . 5.000 4.322 6.000 parsed_1aj1 1
52 1 . . . . . 2.635 2.230 2.635 parsed_1aj1 1
53 1 . . . . . 4.707 3.472 5.207 parsed_1aj1 1
54 1 . . . . . 6.558 3.375 6.558 parsed_1aj1 1
55 1 . . . . . 2.269 2.192 2.269 parsed_1aj1 1
56 1 . . . . . 5.000 3.821 6.000 parsed_1aj1 1
57 1 . . . . . 2.532 2.145 2.532 parsed_1aj1 1
58 1 . . . . . 5.951 4.027 6.951 parsed_1aj1 1
59 1 . . . . . 3.000 2.700 3.000 parsed_1aj1 1
60 1 . . . . . 3.229 2.827 3.229 parsed_1aj1 1
61 1 . . . . . 4.022 2.717 4.522 parsed_1aj1 1
62 1 . . . . . 5.000 3.520 6.000 parsed_1aj1 1
63 1 . . . . . 2.737 2.414 2.737 parsed_1aj1 1
64 1 . . . . . 4.476 1.656 6.876 parsed_1aj1 1
65 1 . . . . . 2.724 2.582 2.724 parsed_1aj1 1
66 1 . . . . . 3.060 2.592 3.060 parsed_1aj1 1
67 1 . . . . . 5.000 3.771 5.000 parsed_1aj1 1
68 1 . . . . . 5.000 3.200 5.500 parsed_1aj1 1
69 1 . . . . . 3.035 2.620 3.035 parsed_1aj1 1
70 1 . . . . . 4.570 2.798 5.570 parsed_1aj1 1
71 1 . . . . . 5.930 3.480 6.930 parsed_1aj1 1
72 1 . . . . . 4.177 3.288 4.177 parsed_1aj1 1
73 1 . . . . . 3.676 2.900 3.676 parsed_1aj1 1
74 1 . . . . . 3.153 2.897 3.153 parsed_1aj1 1
75 1 . . . . . 3.275 2.470 3.775 parsed_1aj1 1
76 1 . . . . . 2.226 1.700 1.799 parsed_1aj1 1
77 1 . . . . . 4.415 3.694 4.415 parsed_1aj1 1
78 1 . . . . . 2.786 2.068 3.286 parsed_1aj1 1
79 1 . . . . . 4.063 2.653 5.063 parsed_1aj1 1
80 1 . . . . . 5.000 3.079 5.000 parsed_1aj1 1
81 1 . . . . . 3.411 2.622 3.911 parsed_1aj1 1
82 1 . . . . . 3.174 2.743 3.174 parsed_1aj1 1
83 1 . . . . . 2.831 2.391 2.831 parsed_1aj1 1
84 1 . . . . . 4.108 3.045 4.808 parsed_1aj1 1
85 1 . . . . . 2.357 1.910 2.357 parsed_1aj1 1
86 1 . . . . . 5.705 4.388 5.705 parsed_1aj1 1
87 1 . . . . . 4.800 2.308 7.200 parsed_1aj1 1
88 1 . . . . . 3.541 3.111 3.741 parsed_1aj1 1
89 1 . . . . . 3.522 2.472 4.022 parsed_1aj1 1
90 1 . . . . . 3.277 2.713 3.277 parsed_1aj1 1
91 1 . . . . . 1.868 1.700 1.868 parsed_1aj1 1
92 1 . . . . . 3.249 2.797 3.249 parsed_1aj1 1
93 1 . . . . . 5.000 3.938 5.500 parsed_1aj1 1
94 1 . . . . . 3.805 3.180 4.005 parsed_1aj1 1
95 1 . . . . . 4.303 4.083 4.303 parsed_1aj1 1
96 1 . . . . . 2.923 2.289 3.123 parsed_1aj1 1
97 1 . . . . . 2.635 2.026 3.135 parsed_1aj1 1
98 1 . . . . . 3.927 2.323 5.827 parsed_1aj1 1
99 1 . . . . . 4.045 2.784 4.545 parsed_1aj1 1
100 1 . . . . . 8.655 3.400 6.000 parsed_1aj1 1
101 1 . . . . . 3.033 2.638 3.033 parsed_1aj1 1
102 1 . . . . . 5.409 2.367 7.809 parsed_1aj1 1
103 1 . . . . . 3.068 2.602 3.068 parsed_1aj1 1
104 1 . . . . . 3.347 2.017 3.847 parsed_1aj1 1
105 1 . . . . . 2.154 2.070 2.154 parsed_1aj1 1
106 1 . . . . . 3.198 2.605 3.198 parsed_1aj1 1
107 1 . . . . . 4.909 2.809 5.909 parsed_1aj1 1
108 1 . . . . . 4.803 2.697 4.803 parsed_1aj1 1
109 1 . . . . . 3.528 2.400 2.600 parsed_1aj1 1
110 1 . . . . . 3.084 1.969 3.584 parsed_1aj1 1
111 1 . . . . . 3.548 1.911 4.048 parsed_1aj1 1
112 1 . . . . . 3.184 2.713 3.184 parsed_1aj1 1
113 1 . . . . . 3.513 2.447 4.013 parsed_1aj1 1
114 1 . . . . . 2.674 2.407 2.674 parsed_1aj1 1
115 1 . . . . . 3.246 2.833 3.246 parsed_1aj1 1
116 1 . . . . . 3.540 2.765 3.540 parsed_1aj1 1
117 1 . . . . . 7.286 4.453 9.686 parsed_1aj1 1
118 1 . . . . . 2.682 2.440 2.882 parsed_1aj1 1
119 1 . . . . . 2.642 2.571 2.642 parsed_1aj1 1
120 1 . . . . . 3.070 2.717 3.070 parsed_1aj1 1
121 1 . . . . . 4.950 2.384 7.350 parsed_1aj1 1
122 1 . . . . . 4.211 3.487 4.211 parsed_1aj1 1
123 1 . . . . . 4.131 3.519 4.131 parsed_1aj1 1
124 1 . . . . . 2.919 2.910 2.919 parsed_1aj1 1
125 1 . . . . . 3.439 2.977 3.439 parsed_1aj1 1
126 1 . . . . . 3.426 2.290 3.326 parsed_1aj1 1
127 1 . . . . . 4.023 1.128 6.423 parsed_1aj1 1
128 1 . . . . . 3.397 2.875 3.397 parsed_1aj1 1
129 1 . . . . . 5.560 3.768 6.060 parsed_1aj1 1
130 1 . . . . . 2.979 2.591 2.979 parsed_1aj1 1
131 1 . . . . . 3.088 2.587 3.088 parsed_1aj1 1
132 1 . . . . . 2.468 1.657 3.268 parsed_1aj1 1
133 1 . . . . . 4.553 1.975 6.953 parsed_1aj1 1
134 1 . . . . . 3.496 2.230 3.496 parsed_1aj1 1
135 1 . . . . . 3.395 2.821 3.395 parsed_1aj1 1
136 1 . . . . . 3.433 3.306 3.433 parsed_1aj1 1
137 1 . . . . . 2.778 2.453 2.778 parsed_1aj1 1
138 1 . . . . . 3.586 2.909 3.586 parsed_1aj1 1
139 1 . . . . . 4.045 1.504 6.445 parsed_1aj1 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 distance 1 1 1 9 parsed_1aj1 1
2 NOE_distance 8 1 9 13 parsed_1aj1 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1aj1
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#mixing_times
5.000000E-02 1.500000E-01 4.500000E-01
!
;
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1aj1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 1 LAN C 1 2 SER N 1 2 SER CA 1 2 SER C parsed_1aj1 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 3 GLY C 1 4 TRP N 1 4 TRP CA 1 4 TRP C parsed_1aj1 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 4 TRP C 1 5 VAL N 1 5 VAL CA 1 5 VAL C parsed_1aj1 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 160.000 . 1 6 LAS C 1 7 MLA N 1 7 MLA CA 1 7 MLA C parsed_1aj1 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 7 MLA C 1 8 LEU N 1 8 LEU CA 1 8 LEU C parsed_1aj1 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 160.000 . 1 8 LEU C 1 9 MLA N 1 9 MLA CA 1 9 MLA C parsed_1aj1 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 9 MLA C 1 10 ILE N 1 10 ILE CA 1 10 ILE C parsed_1aj1 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 11 GLU C 1 12 LAS N 1 12 LAS CA 1 12 LAS C parsed_1aj1 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 160.000 . 1 13 GLY C 1 14 MLA N 1 14 MLA CA 1 14 MLA C parsed_1aj1 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 14 MLA C 1 15 VAL N 1 15 VAL CA 1 15 VAL C parsed_1aj1 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 15 VAL C 1 16 ILE N 1 16 ILE CA 1 16 ILE C parsed_1aj1 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 16 ILE C 1 17 LAS N 1 17 LAS CA 1 17 LAS C parsed_1aj1 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 17 LAS C 1 18 ALA N 1 18 ALA CA 1 18 ALA C parsed_1aj1 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 18 ALA C 1 19 LAS N 1 19 LAS CA 1 19 LAS C parsed_1aj1 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . 1 7 MLA HA 1 7 MLA CA 1 7 MLA CB 1 7 MLA HB parsed_1aj1 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . 1 9 MLA HA 1 9 MLA CA 1 9 MLA CB 1 9 MLA HB parsed_1aj1 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . 1 14 MLA HA 1 14 MLA CA 1 14 MLA CB 1 14 MLA HB parsed_1aj1 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.6 -149.6 . 1 4 TRP HA 1 4 TRP CA 1 4 TRP CB 1 4 TRP HBR parsed_1aj1 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.1 -143.1 . 1 12 LAS HA 1 12 LAS CA 1 12 LAS CB 1 12 LAS HBS parsed_1aj1 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.6 -149.6 . 1 19 LAS HA 1 19 LAS CA 1 19 LAS CB 1 19 LAS HBR parsed_1aj1 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.1 -143.1 . 1 6 LAS HA 1 6 LAS CA 1 6 LAS CB 1 6 LAS HBR parsed_1aj1 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 NMR_dihedral 1 1 1 13 parsed_1aj1 1
2 3J_dihedral 19 1 20 12 parsed_1aj1 1
3 "A=9.500, B=-1.600, C=1.800" 21 124 21 150 parsed_1aj1 1
4 "A=9.500, B=-1.600, C=1.800" 22 124 22 150 parsed_1aj1 1
5 "A=9.500, B=-1.600, C=1.800" 23 124 23 150 parsed_1aj1 1
stop_
save_
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