NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
652930 |
6jpd   |
cing | 2-parsed | STAR | entry | full | 178 |
data_6jpd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6jpd
_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_6jpd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6jpd
_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 6jpd "Master copy" parsed_6jpd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6jpd
_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 6jpd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6jpd 1
1 6jpd.mr . . XPLOR/CNS 2 distance NOE simple 88 parsed_6jpd 1
1 6jpd.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_6jpd 1
1 6jpd.mr . . XPLOR/CNS 4 distance NOE simple 10 parsed_6jpd 1
1 6jpd.mr . . XPLOR/CNS 5 distance NOE ambi 31 parsed_6jpd 1
1 6jpd.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_6jpd 1
1 6jpd.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6jpd 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_6jpd
_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 PROTEIN FIBRIL 26-MAR-19 6JPD
*TITLE MOUSE RECEPTOR-INTERACTING PROTEIN KINASE 3 (RIP3) AMYLOID STRUCTURE
*TITLE 2 BY SOLID-STATE NMR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 3;
*COMPND 3 CHAIN: A, B, C, D, E;
*COMPND 4 SYNONYM: RIP-LIKE PROTEIN KINASE 3,RECEPTOR-INTERACTING PROTEIN 3,
*COMPND 5 MRIP3;
*COMPND 6 EC: 2.7.11.1;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE 3 ORGANISM_COMMON: MOUSE;
*SOURCE 4 ORGANISM_TAXID: 10090;
*SOURCE 5 GENE: RIPK3, RIP3;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)
*KEYWDS PROGRAMMED NECROSIS, AMYLOID, PROTEIN FIBRIL
*EXPDTA SOLID-STATE NMR
*NUMMDL 10
*AUTHOR X.L.WU,H.HU,J.ZHANG,X.Q.DONG,J.WANG,C.SCHWIETERS,H.Y.WANG,J.X.LU
*REVDAT 1 28-OCT-20 6JPD 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6jpd
_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_6jpd 1
2 1 . . . parsed_6jpd 1
3 1 . . . parsed_6jpd 1
4 1 . . . parsed_6jpd 1
5 1 . . . parsed_6jpd 1
6 1 . . . parsed_6jpd 1
7 1 . . . parsed_6jpd 1
8 1 . . . parsed_6jpd 1
9 1 . . . parsed_6jpd 1
10 1 . . . parsed_6jpd 1
11 1 . . . parsed_6jpd 1
12 1 . . . parsed_6jpd 1
13 1 . . . parsed_6jpd 1
14 1 . . . parsed_6jpd 1
15 1 . . . parsed_6jpd 1
16 1 . . . parsed_6jpd 1
17 1 . . . parsed_6jpd 1
18 1 . . . parsed_6jpd 1
19 1 . . . parsed_6jpd 1
20 1 . . . parsed_6jpd 1
21 1 . . . parsed_6jpd 1
22 1 . . . parsed_6jpd 1
23 1 . . . parsed_6jpd 1
24 1 . . . parsed_6jpd 1
25 1 . . . parsed_6jpd 1
26 1 . . . parsed_6jpd 1
27 1 . . . parsed_6jpd 1
28 1 . . . parsed_6jpd 1
29 1 . . . parsed_6jpd 1
30 1 . . . parsed_6jpd 1
31 1 . . . parsed_6jpd 1
32 1 . . . parsed_6jpd 1
33 1 . . . parsed_6jpd 1
34 1 . . . parsed_6jpd 1
35 1 . . . parsed_6jpd 1
36 1 . . . parsed_6jpd 1
37 1 . . . parsed_6jpd 1
38 1 . . . parsed_6jpd 1
39 1 . . . parsed_6jpd 1
40 1 . . . parsed_6jpd 1
41 1 . . . parsed_6jpd 1
42 1 . . . parsed_6jpd 1
43 1 . . . parsed_6jpd 1
44 1 . . . parsed_6jpd 1
45 1 . . . parsed_6jpd 1
46 1 . . . parsed_6jpd 1
47 1 . . . parsed_6jpd 1
48 1 . . . parsed_6jpd 1
49 1 . . . parsed_6jpd 1
50 1 . . . parsed_6jpd 1
51 1 . . . parsed_6jpd 1
52 1 . . . parsed_6jpd 1
53 1 . . . parsed_6jpd 1
54 1 . . . parsed_6jpd 1
55 1 . . . parsed_6jpd 1
56 1 . . . parsed_6jpd 1
57 1 . . . parsed_6jpd 1
58 1 . . . parsed_6jpd 1
59 1 . . . parsed_6jpd 1
60 1 . . . parsed_6jpd 1
61 1 . . . parsed_6jpd 1
62 1 . . . parsed_6jpd 1
63 1 . . . parsed_6jpd 1
64 1 . . . parsed_6jpd 1
65 1 . . . parsed_6jpd 1
66 1 . . . parsed_6jpd 1
67 1 . . . parsed_6jpd 1
68 1 . . . parsed_6jpd 1
69 1 . . . parsed_6jpd 1
70 1 . . . parsed_6jpd 1
71 1 . . . parsed_6jpd 1
72 1 . . . parsed_6jpd 1
73 1 . . . parsed_6jpd 1
74 1 . . . parsed_6jpd 1
75 1 . . . parsed_6jpd 1
76 1 . . . parsed_6jpd 1
77 1 . . . parsed_6jpd 1
78 1 . . . parsed_6jpd 1
79 1 . . . parsed_6jpd 1
80 1 . . . parsed_6jpd 1
81 1 . . . parsed_6jpd 1
82 1 . . . parsed_6jpd 1
83 1 . . . parsed_6jpd 1
84 1 . . . parsed_6jpd 1
85 1 . . . parsed_6jpd 1
86 1 . . . parsed_6jpd 1
87 1 . . . parsed_6jpd 1
88 1 . . . parsed_6jpd 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 . . . . . . . . A 6 . CB parsed_6jpd 1
1 1 2 . . . . . . . . A 8 . CB parsed_6jpd 1
2 1 1 . . . . . . . . A 10 . CG2 parsed_6jpd 1
2 1 2 . . . . . . . . A 12 . CA parsed_6jpd 1
3 1 1 . . . . . . . . A 12 . CB parsed_6jpd 1
3 1 2 . . . . . . . . A 14 . CA parsed_6jpd 1
4 1 1 . . . . . . . . A 12 . CA parsed_6jpd 1
4 1 2 . . . . . . . . A 14 . CA parsed_6jpd 1
5 1 1 . . . . . . . . A 9 . CD parsed_6jpd 1
5 1 2 . . . . . . . . A 16 . CG parsed_6jpd 1
6 1 1 . . . . . . . . A 1 . CG# parsed_6jpd 1
6 1 2 . . . . . . . . A 11 . CA parsed_6jpd 1
7 1 1 . . . . . . . . A 15 . CB parsed_6jpd 1
7 1 2 . . . . . . . . A 13 . CB parsed_6jpd 1
8 1 1 . . . . . . . . A 11 . C parsed_6jpd 1
8 1 2 . . . . . . . . A 12 . CA parsed_6jpd 1
9 1 1 . . . . . . . . A 14 . CA parsed_6jpd 1
9 1 2 . . . . . . . . A 15 . C parsed_6jpd 1
10 1 1 . . . . . . . . A 14 . C parsed_6jpd 1
10 1 2 . . . . . . . . A 15 . CB parsed_6jpd 1
11 1 1 . . . . . . . . A 14 . CA parsed_6jpd 1
11 1 2 . . . . . . . . A 15 . CB parsed_6jpd 1
12 1 1 . . . . . . . . A 15 . CB parsed_6jpd 1
12 1 2 . . . . . . . . A 16 . CA parsed_6jpd 1
13 1 1 . . . . . . . . A 15 . CA parsed_6jpd 1
13 1 2 . . . . . . . . A 16 . CA parsed_6jpd 1
14 1 1 . . . . . . . . A 16 . CA parsed_6jpd 1
14 1 2 . . . . . . . . A 17 . CA parsed_6jpd 1
15 1 1 . . . . . . . . A 16 . CA parsed_6jpd 1
15 1 2 . . . . . . . . A 17 . CG# parsed_6jpd 1
16 1 1 . . . . . . . . A 16 . CB parsed_6jpd 1
16 1 2 . . . . . . . . A 17 . CA parsed_6jpd 1
17 1 1 . . . . . . . . A 1 . CG# parsed_6jpd 1
17 1 2 . . . . . . . . A 2 . CE# parsed_6jpd 1
18 1 1 . . . . . . . . A 1 . CA parsed_6jpd 1
18 1 2 . . . . . . . . A 2 . CG parsed_6jpd 1
19 1 1 . . . . . . . . A 1 . CB parsed_6jpd 1
19 1 2 . . . . . . . . A 2 . CG parsed_6jpd 1
20 1 1 . . . . . . . . A 4 . CA parsed_6jpd 1
20 1 2 . . . . . . . . A 5 . CB parsed_6jpd 1
21 1 1 . . . . . . . . A 4 . CB parsed_6jpd 1
21 1 2 . . . . . . . . A 5 . CA parsed_6jpd 1
22 1 1 . . . . . . . . A 4 . CB parsed_6jpd 1
22 1 2 . . . . . . . . A 5 . CB parsed_6jpd 1
23 1 1 . . . . . . . . A 4 . CA parsed_6jpd 1
23 1 2 . . . . . . . . A 5 . CA parsed_6jpd 1
24 1 1 . . . . . . . . A 4 . CA parsed_6jpd 1
24 1 2 . . . . . . . . A 5 . C parsed_6jpd 1
25 1 1 . . . . . . . . A 4 . CB parsed_6jpd 1
25 1 2 . . . . . . . . A 5 . C parsed_6jpd 1
26 1 1 . . . . . . . . A 5 . C parsed_6jpd 1
26 1 2 . . . . . . . . A 6 . CA parsed_6jpd 1
27 1 1 . . . . . . . . A 6 . CB parsed_6jpd 1
27 1 2 . . . . . . . . A 7 . CA parsed_6jpd 1
28 1 1 . . . . . . . . A 6 . CB parsed_6jpd 1
28 1 2 . . . . . . . . A 7 . CB parsed_6jpd 1
29 1 1 . . . . . . . . A 6 . CB parsed_6jpd 1
29 1 2 . . . . . . . . A 7 . CG parsed_6jpd 1
30 1 1 . . . . . . . . A 6 . CB parsed_6jpd 1
30 1 2 . . . . . . . . A 7 . CD parsed_6jpd 1
31 1 1 . . . . . . . . A 7 . CA parsed_6jpd 1
31 1 2 . . . . . . . . A 8 . CG# parsed_6jpd 1
32 1 1 . . . . . . . . A 7 . CB parsed_6jpd 1
32 1 2 . . . . . . . . A 8 . CG# parsed_6jpd 1
33 1 1 . . . . . . . . A 7 . CB parsed_6jpd 1
33 1 2 . . . . . . . . A 8 . CA parsed_6jpd 1
34 1 1 . . . . . . . . A 8 . CA parsed_6jpd 1
34 1 2 . . . . . . . . A 9 . CA parsed_6jpd 1
35 1 1 . . . . . . . . A 8 . CB parsed_6jpd 1
35 1 2 . . . . . . . . A 9 . CA parsed_6jpd 1
36 1 1 . . . . . . . . A 8 . CG# parsed_6jpd 1
36 1 2 . . . . . . . . A 9 . CA parsed_6jpd 1
37 1 1 . . . . . . . . A 9 . CA parsed_6jpd 1
37 1 2 . . . . . . . . A 10 . CA parsed_6jpd 1
38 1 1 . . . . . . . . A 9 . CD parsed_6jpd 1
38 1 2 . . . . . . . . A 10 . CA parsed_6jpd 1
39 1 1 . . . . . . . . A 9 . CD parsed_6jpd 1
39 1 2 . . . . . . . . A 10 . CB parsed_6jpd 1
40 1 1 . . . . . . . . A 9 . CA parsed_6jpd 1
40 1 2 . . . . . . . . A 10 . CG2 parsed_6jpd 1
41 1 1 . . . . . . . . A 9 . CB parsed_6jpd 1
41 1 2 . . . . . . . . A 10 . CG2 parsed_6jpd 1
42 1 1 . . . . . . . . A 9 . CB parsed_6jpd 1
42 1 2 . . . . . . . . A 10 . CA parsed_6jpd 1
43 1 1 . . . . . . . . A 9 . CG parsed_6jpd 1
43 1 2 . . . . . . . . A 10 . CA parsed_6jpd 1
44 1 1 . . . . . . . . A 9 . C parsed_6jpd 1
44 1 2 . . . . . . . . A 10 . CG# parsed_6jpd 1
45 1 1 . . . . . . . . A 10 . CA parsed_6jpd 1
45 1 2 . . . . . . . . A 11 . CA parsed_6jpd 1
46 1 1 . . . . . . . . A 10 . CG1 parsed_6jpd 1
46 1 2 . . . . . . . . A 11 . C parsed_6jpd 1
47 1 1 . . . . . . . . A 10 . CG1 parsed_6jpd 1
47 1 2 . . . . . . . . A 11 . CA parsed_6jpd 1
48 1 1 . . . . . . . . A 10 . CG2 parsed_6jpd 1
48 1 2 . . . . . . . . A 11 . CA parsed_6jpd 1
49 1 1 . . . . . . . . A 10 . CG2 parsed_6jpd 1
49 1 2 . . . . . . . . A 11 . C parsed_6jpd 1
50 1 1 . . . . . . . . A 10 . CA parsed_6jpd 1
50 1 2 . . . . . . . . A 11 . C parsed_6jpd 1
51 1 1 . . . . . . . . A 10 . CA parsed_6jpd 1
51 1 2 . . . . . . . . A 11 . CA parsed_6jpd 1
52 1 1 . . . . . . . . A 10 . C parsed_6jpd 1
52 1 2 . . . . . . . . A 11 . CA parsed_6jpd 1
53 1 1 . . . . . . . . A 10 . CB parsed_6jpd 1
53 1 2 . . . . . . . . A 11 . CA parsed_6jpd 1
54 1 1 . . . . . . . . A 10 . CB parsed_6jpd 1
54 1 2 . . . . . . . . A 11 . C parsed_6jpd 1
55 1 1 . . . . . . . . A 11 . CA parsed_6jpd 1
55 1 2 . . . . . . . . A 12 . CA parsed_6jpd 1
56 1 1 . . . . . . . . A 11 . C parsed_6jpd 1
56 1 2 . . . . . . . . A 12 . CB parsed_6jpd 1
57 1 1 . . . . . . . . A 11 . CA parsed_6jpd 1
57 1 2 . . . . . . . . A 12 . CG parsed_6jpd 1
58 1 1 . . . . . . . . A 11 . CA parsed_6jpd 1
58 1 2 . . . . . . . . A 12 . CB parsed_6jpd 1
59 1 1 . . . . . . . . A 12 . CA parsed_6jpd 1
59 1 2 . . . . . . . . A 13 . CA parsed_6jpd 1
60 1 1 . . . . . . . . A 12 . CB parsed_6jpd 1
60 1 2 . . . . . . . . A 13 . CA parsed_6jpd 1
61 1 1 . . . . . . . . A 12 . CA parsed_6jpd 1
61 1 2 . . . . . . . . A 13 . CB parsed_6jpd 1
62 1 1 . . . . . . . . A 12 . CB parsed_6jpd 1
62 1 2 . . . . . . . . A 13 . CB parsed_6jpd 1
63 1 1 . . . . . . . . A 12 . CB parsed_6jpd 1
63 1 2 . . . . . . . . A 13 . CZ parsed_6jpd 1
64 1 1 . . . . . . . . A 12 . CA parsed_6jpd 1
64 1 2 . . . . . . . . A 13 . CZ parsed_6jpd 1
65 1 1 . . . . . . . . A 13 . CA parsed_6jpd 1
65 1 2 . . . . . . . . A 14 . CA parsed_6jpd 1
66 1 1 . . . . . . . . A 13 . CB parsed_6jpd 1
66 1 2 . . . . . . . . A 14 . CA parsed_6jpd 1
67 1 1 . . . . . . . . A 13 . CB parsed_6jpd 1
67 1 2 . . . . . . . . A 14 . CB parsed_6jpd 1
68 1 1 . . . . . . . . A 13 . CG parsed_6jpd 1
68 1 2 . . . . . . . . A 14 . CA parsed_6jpd 1
69 1 1 . . . . . . . . A 13 . CG parsed_6jpd 1
69 1 2 . . . . . . . . A 14 . CB parsed_6jpd 1
70 1 1 . . . . . . . . A 14 . CB parsed_6jpd 1
70 1 2 . . . . . . . . A 15 . CB parsed_6jpd 1
71 1 1 . . . . . . . . A 14 . CB parsed_6jpd 1
71 1 2 . . . . . . . . A 15 . C parsed_6jpd 1
72 1 1 . . . . . . . . A 14 . CA parsed_6jpd 1
72 1 2 . . . . . . . . A 15 . CA parsed_6jpd 1
73 1 1 . . . . . . . . A 14 . CB parsed_6jpd 1
73 1 2 . . . . . . . . A 15 . CA parsed_6jpd 1
74 1 1 . . . . . . . . A 14 . CG parsed_6jpd 1
74 1 2 . . . . . . . . A 15 . CB parsed_6jpd 1
75 1 1 . . . . . . . . A 15 . CB parsed_6jpd 1
75 1 2 . . . . . . . . A 16 . CB parsed_6jpd 1
76 1 1 . . . . . . . . A 15 . C parsed_6jpd 1
76 1 2 . . . . . . . . A 16 . CA parsed_6jpd 1
77 1 1 . . . . . . . . A 15 . C parsed_6jpd 1
77 1 2 . . . . . . . . A 16 . CG parsed_6jpd 1
78 1 1 . . . . . . . . A 15 . C parsed_6jpd 1
78 1 2 . . . . . . . . A 16 . CB parsed_6jpd 1
79 1 1 . . . . . . . . A 15 . C parsed_6jpd 1
79 1 2 . . . . . . . . A 16 . CD2 parsed_6jpd 1
80 1 1 . . . . . . . . A 15 . CB parsed_6jpd 1
80 1 2 . . . . . . . . A 16 . CD1 parsed_6jpd 1
81 1 1 . . . . . . . . A 15 . CB parsed_6jpd 1
81 1 2 . . . . . . . . A 16 . CD2 parsed_6jpd 1
82 1 1 . . . . . . . . A 15 . CB parsed_6jpd 1
82 1 2 . . . . . . . . A 16 . CG parsed_6jpd 1
83 1 1 . . . . . . . . A 15 . CA parsed_6jpd 1
83 1 2 . . . . . . . . A 16 . CD2 parsed_6jpd 1
84 1 1 . . . . . . . . A 16 . CG parsed_6jpd 1
84 1 2 . . . . . . . . A 17 . CA parsed_6jpd 1
85 1 1 . . . . . . . . A 16 . CD2 parsed_6jpd 1
85 1 2 . . . . . . . . A 17 . CG# parsed_6jpd 1
86 1 1 . . . . . . . . A 16 . CD2 parsed_6jpd 1
86 1 2 . . . . . . . . A 17 . CA parsed_6jpd 1
87 1 1 . . . . . . . . A 16 . CD2 parsed_6jpd 1
87 1 2 . . . . . . . . A 17 . CB parsed_6jpd 1
88 1 1 . . . . . . . . A 4 . CA parsed_6jpd 1
88 1 2 . . . . . . . . B 4 . CA parsed_6jpd 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 . . . . . 5.50 4.00 7.00 parsed_6jpd 1
2 1 . . . . . 5.50 4.00 7.00 parsed_6jpd 1
3 1 . . . . . 5.50 4.00 7.00 parsed_6jpd 1
4 1 . . . . . 5.50 4.00 7.00 parsed_6jpd 1
5 1 . . . . . 5.50 4.00 7.00 parsed_6jpd 1
6 1 . . . . . 5.50 4.00 7.00 parsed_6jpd 1
7 1 . . . . . 5.50 4.00 7.00 parsed_6jpd 1
8 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
9 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
10 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
11 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
12 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
13 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
14 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
15 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
16 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
17 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
18 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
19 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
20 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
21 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
22 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
23 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
24 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
25 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
26 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
27 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
28 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
29 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
30 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
31 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
32 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
33 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
34 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
35 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
36 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
37 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
38 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
39 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
40 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
41 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
42 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
43 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
44 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
45 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
46 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
47 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
48 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
49 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
50 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
51 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
52 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
53 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
54 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
55 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
56 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
57 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
58 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
59 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
60 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
61 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
62 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
63 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
64 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
65 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
66 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
67 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
68 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
69 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
70 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
71 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
72 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
73 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
74 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
75 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
76 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
77 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
78 1 . . . . . 3.50 1.00 6.00 parsed_6jpd 1
79 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
80 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
81 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
82 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
83 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
84 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
85 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
86 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
87 1 . . . . . 5.50 3.00 8.00 parsed_6jpd 1
88 1 . . . . . 4.75 4.65 4.85 parsed_6jpd 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
echo=false
wrnlev=0
;
2 1 3 16 parsed_6jpd 1
2
;
echo=false
wrnlev=0
;
107 1 108 16 parsed_6jpd 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: intrasheet_unambig15_u.tbl" 1 1 1 47 parsed_6jpd 1
2 "# Restraints file 2: parallel_sheet9_u.tbl" 106 122 106 163 parsed_6jpd 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6jpd
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_6jpd 2
2 1 . . . parsed_6jpd 2
3 1 . . . parsed_6jpd 2
4 1 . . . parsed_6jpd 2
5 1 . . . parsed_6jpd 2
6 1 . . . parsed_6jpd 2
7 1 . . . parsed_6jpd 2
8 1 . . . parsed_6jpd 2
9 1 . . . parsed_6jpd 2
10 1 . . . parsed_6jpd 2
11 1 . . . parsed_6jpd 2
12 1 . . . parsed_6jpd 2
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 . . . . . . . . A 4 . HN parsed_6jpd 2
1 1 2 . . . . . . . . B 3 . O parsed_6jpd 2
2 1 1 . . . . . . . . A 4 . N parsed_6jpd 2
2 1 2 . . . . . . . . B 3 . O parsed_6jpd 2
3 1 1 . . . . . . . . A 5 . HN parsed_6jpd 2
3 1 2 . . . . . . . . B 4 . O parsed_6jpd 2
4 1 1 . . . . . . . . A 5 . N parsed_6jpd 2
4 1 2 . . . . . . . . B 4 . O parsed_6jpd 2
5 1 1 . . . . . . . . A 8 . CA parsed_6jpd 2
5 1 2 . . . . . . . . B 8 . CA parsed_6jpd 2
6 1 1 . . . . . . . . A 11 . HN parsed_6jpd 2
6 1 2 . . . . . . . . B 10 . O parsed_6jpd 2
7 1 1 . . . . . . . . A 11 . N parsed_6jpd 2
7 1 2 . . . . . . . . B 10 . O parsed_6jpd 2
8 1 1 . . . . . . . . A 9 . HN parsed_6jpd 2
8 1 2 . . . . . . . . B 8 . O parsed_6jpd 2
9 1 1 . . . . . . . . A 9 . N parsed_6jpd 2
9 1 2 . . . . . . . . B 8 . O parsed_6jpd 2
10 1 1 . . . . . . . . A 15 . C parsed_6jpd 2
10 1 2 . . . . . . . . B 15 . C parsed_6jpd 2
11 1 1 . . . . . . . . A 16 . HN parsed_6jpd 2
11 1 2 . . . . . . . . B 15 . O parsed_6jpd 2
12 1 1 . . . . . . . . A 16 . N parsed_6jpd 2
12 1 2 . . . . . . . . B 15 . O parsed_6jpd 2
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 . . . . . 2.30 2.20 2.40 parsed_6jpd 2
2 1 . . . . . 3.30 3.20 3.40 parsed_6jpd 2
3 1 . . . . . 2.30 2.20 2.40 parsed_6jpd 2
4 1 . . . . . 3.30 3.20 3.40 parsed_6jpd 2
5 1 . . . . . 4.75 4.65 4.85 parsed_6jpd 2
6 1 . . . . . 2.30 2.20 2.40 parsed_6jpd 2
7 1 . . . . . 3.30 3.20 3.40 parsed_6jpd 2
8 1 . . . . . 2.30 2.20 2.40 parsed_6jpd 2
9 1 . . . . . 3.30 3.20 3.40 parsed_6jpd 2
10 1 . . . . . 4.75 4.65 4.85 parsed_6jpd 2
11 1 . . . . . 2.30 2.20 2.40 parsed_6jpd 2
12 1 . . . . . 3.30 3.20 3.40 parsed_6jpd 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6jpd
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_6jpd 3
2 1 . . . parsed_6jpd 3
3 1 . . . parsed_6jpd 3
4 1 . . . parsed_6jpd 3
5 1 . . . parsed_6jpd 3
6 1 . . . parsed_6jpd 3
7 1 . . . parsed_6jpd 3
8 1 . . . parsed_6jpd 3
9 1 . . . parsed_6jpd 3
10 1 . . . parsed_6jpd 3
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 . . . . . . . . A 1 . N parsed_6jpd 3
1 1 2 . . . . . . . . A 2 . CA parsed_6jpd 3
2 1 1 . . . . . . . . A 2 . N parsed_6jpd 3
2 1 2 . . . . . . . . A 1 . CB parsed_6jpd 3
3 1 1 . . . . . . . . A 2 . N parsed_6jpd 3
3 1 2 . . . . . . . . A 3 . CA parsed_6jpd 3
4 1 1 . . . . . . . . A 9 . Ne2 parsed_6jpd 3
4 1 2 . . . . . . . . A 8 . CA parsed_6jpd 3
5 1 1 . . . . . . . . A 15 . N parsed_6jpd 3
5 1 2 . . . . . . . . A 14 . CB parsed_6jpd 3
6 1 1 . . . . . . . . A 15 . N parsed_6jpd 3
6 1 2 . . . . . . . . A 16 . C parsed_6jpd 3
7 1 1 . . . . . . . . A 17 . N parsed_6jpd 3
7 1 2 . . . . . . . . A 16 . CG parsed_6jpd 3
8 1 1 . . . . . . . . A 17 . N parsed_6jpd 3
8 1 2 . . . . . . . . A 16 . CD2 parsed_6jpd 3
9 1 1 . . . . . . . . A 14 . Nd2 parsed_6jpd 3
9 1 2 . . . . . . . . A 11 . CA parsed_6jpd 3
10 1 1 . . . . . . . . A 9 . Ne2 parsed_6jpd 3
10 1 2 . . . . . . . . A 16 . CG parsed_6jpd 3
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 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
2 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
3 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
4 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
5 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
6 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
7 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
8 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
9 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
10 1 . . . . . 4.50 2.00 7.00 parsed_6jpd 3
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
echo=false
wrnlev=0
;
2 1 3 16 parsed_6jpd 3
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 3: TEDOR_unambig2_u.tbl" 1 1 1 41 parsed_6jpd 3
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6jpd
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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 2 . OR parsed_6jpd 4
1 2 . 3 . parsed_6jpd 4
1 3 . 4 . parsed_6jpd 4
1 4 . . . parsed_6jpd 4
2 1 2 . OR parsed_6jpd 4
2 2 . 3 . parsed_6jpd 4
2 3 . . . parsed_6jpd 4
3 1 2 . OR parsed_6jpd 4
3 2 . 3 . parsed_6jpd 4
3 3 . . . parsed_6jpd 4
4 1 2 . OR parsed_6jpd 4
4 2 . 3 . parsed_6jpd 4
4 3 . . . parsed_6jpd 4
5 1 2 . OR parsed_6jpd 4
5 2 . 3 . parsed_6jpd 4
5 3 . . . parsed_6jpd 4
6 1 2 . OR parsed_6jpd 4
6 2 . 3 . parsed_6jpd 4
6 3 . . . parsed_6jpd 4
7 1 2 . OR parsed_6jpd 4
7 2 . 3 . parsed_6jpd 4
7 3 . . . parsed_6jpd 4
8 1 2 . OR parsed_6jpd 4
8 2 . 3 . parsed_6jpd 4
8 3 . . . parsed_6jpd 4
9 1 2 . OR parsed_6jpd 4
9 2 . 3 . parsed_6jpd 4
9 3 . . . parsed_6jpd 4
10 1 2 . OR parsed_6jpd 4
10 2 . 3 . parsed_6jpd 4
10 3 . . . parsed_6jpd 4
11 1 2 . OR parsed_6jpd 4
11 2 . 3 . parsed_6jpd 4
11 3 . . . parsed_6jpd 4
12 1 2 . OR parsed_6jpd 4
12 2 . 3 . parsed_6jpd 4
12 3 . . . parsed_6jpd 4
13 1 2 . OR parsed_6jpd 4
13 2 . 3 . parsed_6jpd 4
13 3 . . . parsed_6jpd 4
14 1 2 . OR parsed_6jpd 4
14 2 . 3 . parsed_6jpd 4
14 3 . . . parsed_6jpd 4
15 1 2 . OR parsed_6jpd 4
15 2 . 3 . parsed_6jpd 4
15 3 . . . parsed_6jpd 4
16 1 2 . OR parsed_6jpd 4
16 2 . 3 . parsed_6jpd 4
16 3 . . . parsed_6jpd 4
17 1 2 . OR parsed_6jpd 4
17 2 . 3 . parsed_6jpd 4
17 3 . . . parsed_6jpd 4
18 1 2 . OR parsed_6jpd 4
18 2 . 3 . parsed_6jpd 4
18 3 . . . parsed_6jpd 4
19 1 2 . OR parsed_6jpd 4
19 2 . 3 . parsed_6jpd 4
19 3 . . . parsed_6jpd 4
20 1 2 . OR parsed_6jpd 4
20 2 . 3 . parsed_6jpd 4
20 3 . . . parsed_6jpd 4
21 1 2 . OR parsed_6jpd 4
21 2 . 3 . parsed_6jpd 4
21 3 . . . parsed_6jpd 4
22 1 2 . OR parsed_6jpd 4
22 2 . 3 . parsed_6jpd 4
22 3 . . . parsed_6jpd 4
23 1 2 . OR parsed_6jpd 4
23 2 . 3 . parsed_6jpd 4
23 3 . 4 . parsed_6jpd 4
23 4 . 5 . parsed_6jpd 4
23 5 . . . parsed_6jpd 4
24 1 2 . OR parsed_6jpd 4
24 2 . 3 . parsed_6jpd 4
24 3 . 4 . parsed_6jpd 4
24 4 . . . parsed_6jpd 4
25 1 2 . OR parsed_6jpd 4
25 2 . 3 . parsed_6jpd 4
25 3 . 4 . parsed_6jpd 4
25 4 . . . parsed_6jpd 4
26 1 2 . OR parsed_6jpd 4
26 2 . 3 . parsed_6jpd 4
26 3 . 4 . parsed_6jpd 4
26 4 . 5 . parsed_6jpd 4
26 5 . 6 . parsed_6jpd 4
26 6 . . . parsed_6jpd 4
27 1 2 . OR parsed_6jpd 4
27 2 . 3 . parsed_6jpd 4
27 3 . 4 . parsed_6jpd 4
27 4 . 5 . parsed_6jpd 4
27 5 . . . parsed_6jpd 4
28 1 2 . OR parsed_6jpd 4
28 2 . 3 . parsed_6jpd 4
28 3 . 4 . parsed_6jpd 4
28 4 . 5 . parsed_6jpd 4
28 5 . . . parsed_6jpd 4
29 1 2 . OR parsed_6jpd 4
29 2 . 3 . parsed_6jpd 4
29 3 . 4 . parsed_6jpd 4
29 4 . 5 . parsed_6jpd 4
29 5 . . . parsed_6jpd 4
30 1 2 . OR parsed_6jpd 4
30 2 . 3 . parsed_6jpd 4
30 3 . 4 . parsed_6jpd 4
30 4 . 5 . parsed_6jpd 4
30 5 . . . parsed_6jpd 4
31 1 2 . OR parsed_6jpd 4
31 2 . 3 . parsed_6jpd 4
31 3 . 4 . parsed_6jpd 4
31 4 . 5 . parsed_6jpd 4
31 5 . . . parsed_6jpd 4
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 2 1 . . . . . . . . A 1 . CG# parsed_6jpd 4
1 2 2 . . . . . . . . A 10 . CB parsed_6jpd 4
1 3 1 . . . . . . . . A 1 . CG# parsed_6jpd 4
1 3 2 . . . . . . . . A 14 . CB parsed_6jpd 4
1 4 1 . . . . . . . . A 8 . CG# parsed_6jpd 4
1 4 2 . . . . . . . . A 10 . CB parsed_6jpd 4
2 2 1 . . . . . . . . A 1 . CG# parsed_6jpd 4
2 2 2 . . . . . . . . A 2 . CB parsed_6jpd 4
2 3 1 . . . . . . . . A 1 . CG# parsed_6jpd 4
2 3 2 . . . . . . . . A 12 . CB parsed_6jpd 4
3 2 1 . . . . . . . . A 9 . CB parsed_6jpd 4
3 2 2 . . . . . . . . A 10 . CB parsed_6jpd 4
3 3 1 . . . . . . . . A 9 . CB parsed_6jpd 4
3 3 2 . . . . . . . . A 14 . CB parsed_6jpd 4
4 2 1 . . . . . . . . A 9 . CG parsed_6jpd 4
4 2 2 . . . . . . . . A 10 . CB parsed_6jpd 4
4 3 1 . . . . . . . . A 9 . CG parsed_6jpd 4
4 3 2 . . . . . . . . A 14 . CB parsed_6jpd 4
5 2 1 . . . . . . . . A 9 . CG parsed_6jpd 4
5 2 2 . . . . . . . . A 11 . C parsed_6jpd 4
5 3 1 . . . . . . . . A 17 . CB parsed_6jpd 4
5 3 2 . . . . . . . . A 11 . C parsed_6jpd 4
6 2 1 . . . . . . . . A 9 . CD parsed_6jpd 4
6 2 2 . . . . . . . . A 15 . CA parsed_6jpd 4
6 3 1 . . . . . . . . A 9 . CD parsed_6jpd 4
6 3 2 . . . . . . . . A 7 . CA parsed_6jpd 4
7 2 1 . . . . . . . . A 10 . CG2 parsed_6jpd 4
7 2 2 . . . . . . . . A 8 . CG# parsed_6jpd 4
7 3 1 . . . . . . . . A 10 . CG2 parsed_6jpd 4
7 3 2 . . . . . . . . A 1 . CG# parsed_6jpd 4
8 2 1 . . . . . . . . A 10 . CD1 parsed_6jpd 4
8 2 2 . . . . . . . . A 8 . CG# parsed_6jpd 4
8 3 1 . . . . . . . . A 10 . CD1 parsed_6jpd 4
8 3 2 . . . . . . . . A 1 . CG# parsed_6jpd 4
9 2 1 . . . . . . . . A 10 . CG2 parsed_6jpd 4
9 2 2 . . . . . . . . A 9 . CD parsed_6jpd 4
9 3 1 . . . . . . . . A 10 . CG2 parsed_6jpd 4
9 3 2 . . . . . . . . A 12 . CG parsed_6jpd 4
10 2 1 . . . . . . . . A 10 . CG2 parsed_6jpd 4
10 2 2 . . . . . . . . A 12 . CB parsed_6jpd 4
10 3 1 . . . . . . . . A 10 . CG2 parsed_6jpd 4
10 3 2 . . . . . . . . A 2 . CB parsed_6jpd 4
11 2 1 . . . . . . . . A 11 . C parsed_6jpd 4
11 2 2 . . . . . . . . A 9 . CA parsed_6jpd 4
11 3 1 . . . . . . . . A 11 . C parsed_6jpd 4
11 3 2 . . . . . . . . A 14 . CA parsed_6jpd 4
12 2 1 . . . . . . . . A 11 . C parsed_6jpd 4
12 2 2 . . . . . . . . A 10 . CB parsed_6jpd 4
12 3 1 . . . . . . . . A 11 . C parsed_6jpd 4
12 3 2 . . . . . . . . A 14 . CB parsed_6jpd 4
13 2 1 . . . . . . . . A 12 . CA parsed_6jpd 4
13 2 2 . . . . . . . . A 14 . CB parsed_6jpd 4
13 3 1 . . . . . . . . A 12 . CA parsed_6jpd 4
13 3 2 . . . . . . . . A 10 . CB parsed_6jpd 4
14 2 1 . . . . . . . . A 13 . CG parsed_6jpd 4
14 2 2 . . . . . . . . A 15 . CA parsed_6jpd 4
14 3 1 . . . . . . . . A 13 . CG parsed_6jpd 4
14 3 2 . . . . . . . . A 7 . CA parsed_6jpd 4
15 2 1 . . . . . . . . A 15 . CB parsed_6jpd 4
15 2 2 . . . . . . . . A 9 . CG parsed_6jpd 4
15 3 1 . . . . . . . . A 15 . CB parsed_6jpd 4
15 3 2 . . . . . . . . A 17 . CB parsed_6jpd 4
16 2 1 . . . . . . . . A 15 . CB parsed_6jpd 4
16 2 2 . . . . . . . . A 17 . CG# parsed_6jpd 4
16 3 1 . . . . . . . . A 15 . CB parsed_6jpd 4
16 3 2 . . . . . . . . A 8 . CG# parsed_6jpd 4
17 2 1 . . . . . . . . A 15 . CB parsed_6jpd 4
17 2 2 . . . . . . . . A 13 . CA parsed_6jpd 4
17 3 1 . . . . . . . . A 15 . CB parsed_6jpd 4
17 3 2 . . . . . . . . A 10 . CA parsed_6jpd 4
18 2 1 . . . . . . . . A 16 . CG parsed_6jpd 4
18 2 2 . . . . . . . . A 9 . CG parsed_6jpd 4
18 3 1 . . . . . . . . A 16 . CG parsed_6jpd 4
18 3 2 . . . . . . . . A 17 . CB parsed_6jpd 4
19 2 1 . . . . . . . . A 16 . CD2 parsed_6jpd 4
19 2 2 . . . . . . . . A 14 . CA parsed_6jpd 4
19 3 1 . . . . . . . . A 16 . CD2 parsed_6jpd 4
19 3 2 . . . . . . . . A 9 . CA parsed_6jpd 4
20 2 1 . . . . . . . . A 16 . CD2 parsed_6jpd 4
20 2 2 . . . . . . . . A 14 . CB parsed_6jpd 4
20 3 1 . . . . . . . . A 16 . CD2 parsed_6jpd 4
20 3 2 . . . . . . . . A 10 . CB parsed_6jpd 4
21 2 1 . . . . . . . . A 16 . CA parsed_6jpd 4
21 2 2 . . . . . . . . A 14 . CB parsed_6jpd 4
21 3 1 . . . . . . . . A 16 . CA parsed_6jpd 4
21 3 2 . . . . . . . . A 10 . CB parsed_6jpd 4
22 2 1 . . . . . . . . A 6 . N parsed_6jpd 4
22 2 2 . . . . . . . . A 8 . CG# parsed_6jpd 4
22 3 1 . . . . . . . . A 15 . N parsed_6jpd 4
22 3 2 . . . . . . . . A 17 . CG# parsed_6jpd 4
23 2 1 . . . . . . . . A 1 . CB parsed_6jpd 4
23 2 2 . . . . . . . . A 11 . C parsed_6jpd 4
23 3 1 . . . . . . . . A 8 . CB parsed_6jpd 4
23 3 2 . . . . . . . . A 11 . C parsed_6jpd 4
23 4 1 . . . . . . . . A 13 . CB parsed_6jpd 4
23 4 2 . . . . . . . . A 11 . C parsed_6jpd 4
23 5 1 . . . . . . . . A 7 . CG parsed_6jpd 4
23 5 2 . . . . . . . . A 11 . C parsed_6jpd 4
24 2 1 . . . . . . . . A 2 . CA parsed_6jpd 4
24 2 2 . . . . . . . . A 11 . C parsed_6jpd 4
24 3 1 . . . . . . . . A 7 . CA parsed_6jpd 4
24 3 2 . . . . . . . . A 11 . C parsed_6jpd 4
24 4 1 . . . . . . . . A 15 . CA parsed_6jpd 4
24 4 2 . . . . . . . . A 11 . C parsed_6jpd 4
25 2 1 . . . . . . . . A 2 . CG parsed_6jpd 4
25 2 2 . . . . . . . . A 10 . CG1 parsed_6jpd 4
25 3 1 . . . . . . . . A 2 . CG parsed_6jpd 4
25 3 2 . . . . . . . . A 16 . CD1 parsed_6jpd 4
25 4 1 . . . . . . . . A 2 . CG parsed_6jpd 4
25 4 2 . . . . . . . . A 7 . CB parsed_6jpd 4
26 2 1 . . . . . . . . A 11 . CA parsed_6jpd 4
26 2 2 . . . . . . . . A 13 . CB parsed_6jpd 4
26 3 1 . . . . . . . . A 11 . CA parsed_6jpd 4
26 3 2 . . . . . . . . A 1 . CB parsed_6jpd 4
26 4 1 . . . . . . . . A 16 . CB parsed_6jpd 4
26 4 2 . . . . . . . . A 13 . CB parsed_6jpd 4
26 5 1 . . . . . . . . A 16 . CB parsed_6jpd 4
26 5 2 . . . . . . . . A 8 . CB parsed_6jpd 4
26 6 1 . . . . . . . . A 16 . CB parsed_6jpd 4
26 6 2 . . . . . . . . A 7 . CG parsed_6jpd 4
27 2 1 . . . . . . . . A 9 . CG parsed_6jpd 4
27 2 2 . . . . . . . . A 16 . CB parsed_6jpd 4
27 3 1 . . . . . . . . A 17 . CB parsed_6jpd 4
27 3 2 . . . . . . . . A 16 . CB parsed_6jpd 4
27 4 1 . . . . . . . . A 9 . CG parsed_6jpd 4
27 4 2 . . . . . . . . A 11 . CA parsed_6jpd 4
27 5 1 . . . . . . . . A 17 . CB parsed_6jpd 4
27 5 2 . . . . . . . . A 11 . CA parsed_6jpd 4
28 2 1 . . . . . . . . A 8 . CB parsed_6jpd 4
28 2 2 . . . . . . . . A 9 . CB parsed_6jpd 4
28 3 1 . . . . . . . . A 7 . CG parsed_6jpd 4
28 3 2 . . . . . . . . A 9 . CB parsed_6jpd 4
28 4 1 . . . . . . . . A 8 . CB parsed_6jpd 4
28 4 2 . . . . . . . . A 17 . CB parsed_6jpd 4
28 5 1 . . . . . . . . A 7 . CG parsed_6jpd 4
28 5 2 . . . . . . . . A 17 . CB parsed_6jpd 4
29 2 1 . . . . . . . . A 8 . CA parsed_6jpd 4
29 2 2 . . . . . . . . A 9 . CD parsed_6jpd 4
29 3 1 . . . . . . . . A 10 . CA parsed_6jpd 4
29 3 2 . . . . . . . . A 9 . CD parsed_6jpd 4
29 4 1 . . . . . . . . A 8 . CA parsed_6jpd 4
29 4 2 . . . . . . . . A 12 . CG parsed_6jpd 4
29 5 1 . . . . . . . . A 10 . CA parsed_6jpd 4
29 5 2 . . . . . . . . A 12 . CG parsed_6jpd 4
30 2 1 . . . . . . . . A 9 . CA parsed_6jpd 4
30 2 2 . . . . . . . . A 11 . CA parsed_6jpd 4
30 3 1 . . . . . . . . A 9 . CA parsed_6jpd 4
30 3 2 . . . . . . . . A 16 . CB parsed_6jpd 4
30 4 1 . . . . . . . . A 14 . CA parsed_6jpd 4
30 4 2 . . . . . . . . A 11 . CA parsed_6jpd 4
30 5 1 . . . . . . . . A 14 . CA parsed_6jpd 4
30 5 2 . . . . . . . . A 16 . CB parsed_6jpd 4
31 2 1 . . . . . . . . A 9 . CD parsed_6jpd 4
31 2 2 . . . . . . . . A 16 . CB parsed_6jpd 4
31 3 1 . . . . . . . . A 12 . CG parsed_6jpd 4
31 3 2 . . . . . . . . A 16 . CB parsed_6jpd 4
31 4 1 . . . . . . . . A 9 . CD parsed_6jpd 4
31 4 2 . . . . . . . . A 11 . CA parsed_6jpd 4
31 5 1 . . . . . . . . A 12 . CG parsed_6jpd 4
31 5 2 . . . . . . . . A 11 . CA parsed_6jpd 4
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 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
1 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
1 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
2 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
2 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
3 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
3 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
4 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
4 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
5 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
5 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
6 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
6 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
7 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
7 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
8 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
8 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
9 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
9 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
10 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
10 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
11 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
11 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
12 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
12 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
13 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
13 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
14 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
14 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
15 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
15 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
16 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
16 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
17 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
17 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
18 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
18 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
19 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
19 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
20 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
20 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
21 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
21 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
22 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
22 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
23 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
23 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
23 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
23 5 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
24 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
24 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
24 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
25 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
25 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
25 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
26 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
26 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
26 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
26 5 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
26 6 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
27 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
27 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
27 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
27 5 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
28 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
28 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
28 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
28 5 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
29 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
29 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
29 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
29 5 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
30 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
30 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
30 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
30 5 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
31 2 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
31 3 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
31 4 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
31 5 . . . . . 5.50 3.00 8.00 parsed_6jpd 4
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
echo=false
wrnlev=0
;
2 1 3 16 parsed_6jpd 4
2
;
echo=false
wrnlev=0
;
102 1 103 16 parsed_6jpd 4
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 4: DARR-TEDOR-ambig8_u.tbl" 1 1 1 44 parsed_6jpd 4
2 "# Restraints file 5: high_ambig_u_5.tbl" 101 1 101 39 parsed_6jpd 4
3 "# Restraints file 6: CDIH10.tbl" 154 92 154 122 parsed_6jpd 4
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6jpd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.4 -71.4 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6jpd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.8 164.8 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6jpd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.7 -7.3 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6jpd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.5 176.7 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6jpd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.0 -41.8 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6jpd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.6 -48.2 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6jpd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.9 198.9 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6jpd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.4 91.4 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6jpd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.7 76.7 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6jpd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -94.1 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6jpd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.3 180.9 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6jpd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -69.4 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6jpd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.6 176.6 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6jpd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -78.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6jpd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.5 159.5 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6jpd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 221.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6jpd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -26.8 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6jpd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.2 192.2 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6jpd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.6 98.6 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6jpd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.6 67.6 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6jpd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.2 -41.2 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6jpd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.8 -60.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6jpd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.8 181.2 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6jpd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.8 -60.8 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6jpd 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.6 164.6 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6jpd 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 182.8 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6jpd 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.2 -23.4 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6jpd 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.6 194.2 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6jpd 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.4 -26.4 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6jpd 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.4 182.4 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6jpd 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.4 -29.4 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6jpd 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.1 186.1 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6jpd 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.7 -51.5 . . 10 . n . 10 . ca . 10 . cb . 10 . cg1 parsed_6jpd 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -40.6 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_6jpd 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.2 -57.6 . . 14 . n . 14 . ca . 14 . cb . 14 . cg parsed_6jpd 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 169.9 185.9 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_6jpd 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194.6 -160.6 . . 17 . n . 17 . ca . 17 . cb . 17 . cg1 parsed_6jpd 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
Phi/Psi Angles From 'Strong' TALOS-N Predictions (from CDIH4.tbl) and Chi:
error margins are set to conservative default values of double the
standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
removed values not consistent with TALOS+ more than +/- 20 degree. add 15 degree error for the rest. remove ones with error bigger than 100
;
1 1 4 142 parsed_6jpd 1
2
;
!chi
!10
;
77 1 79 7 parsed_6jpd 1
3 !13 82 3 82 7 parsed_6jpd 1
4 !14 85 3 85 7 parsed_6jpd 1
5 !16 89 3 89 7 parsed_6jpd 1
6 !17 92 3 92 7 parsed_6jpd 1
stop_
save_
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