NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
565272 |
2lwu   |
18645 | cing | 2-parsed | STAR | entry | full | 153 |
data_2lwu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lwu
_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_2lwu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lwu
_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 2lwu "Master copy" parsed_2lwu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lwu
_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 2lwu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lwu 1
1 2lwu.mr . . DYANA/DIANA 2 distance NOE simple 117 parsed_2lwu 1
1 2lwu.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_2lwu 1
1 2lwu.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 10 parsed_2lwu 1
1 2lwu.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lwu 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_2lwu
_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 PLANT PROTEIN 06-AUG-12 2LWU
*TITLE NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 7 (PDP-7)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PAWS DERIVED PEPTIDE 7 (PDP-7);
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS PLANT PEPTIDE, PAWS DERIVED, CYCLIC PEPTIDE, PLANT PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR A.G.ELLIOTT, J.S.MYLNE, K.ROSENGREN
*REVDAT 1 21-AUG-13 2LWU 0
H proton - H proton
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lwu
_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_2lwu 1
2 1 . . . parsed_2lwu 1
3 1 . . . parsed_2lwu 1
4 1 . . . parsed_2lwu 1
5 1 . . . parsed_2lwu 1
6 1 . . . parsed_2lwu 1
7 1 . . . parsed_2lwu 1
8 1 . . . parsed_2lwu 1
9 1 . . . parsed_2lwu 1
10 1 . . . parsed_2lwu 1
11 1 . . . parsed_2lwu 1
12 1 . . . parsed_2lwu 1
13 1 . . . parsed_2lwu 1
14 1 . . . parsed_2lwu 1
15 1 . . . parsed_2lwu 1
16 1 . . . parsed_2lwu 1
17 1 . . . parsed_2lwu 1
18 1 . . . parsed_2lwu 1
19 1 . . . parsed_2lwu 1
20 1 . . . parsed_2lwu 1
21 1 . . . parsed_2lwu 1
22 1 . . . parsed_2lwu 1
23 1 . . . parsed_2lwu 1
24 1 . . . parsed_2lwu 1
25 1 . . . parsed_2lwu 1
26 1 . . . parsed_2lwu 1
27 1 . . . parsed_2lwu 1
28 1 . . . parsed_2lwu 1
29 1 . . . parsed_2lwu 1
30 1 . . . parsed_2lwu 1
31 1 . . . parsed_2lwu 1
32 1 . . . parsed_2lwu 1
33 1 . . . parsed_2lwu 1
34 1 . . . parsed_2lwu 1
35 1 . . . parsed_2lwu 1
36 1 . . . parsed_2lwu 1
37 1 . . . parsed_2lwu 1
38 1 . . . parsed_2lwu 1
39 1 . . . parsed_2lwu 1
40 1 . . . parsed_2lwu 1
41 1 . . . parsed_2lwu 1
42 1 . . . parsed_2lwu 1
43 1 . . . parsed_2lwu 1
44 1 . . . parsed_2lwu 1
45 1 . . . parsed_2lwu 1
46 1 . . . parsed_2lwu 1
47 1 . . . parsed_2lwu 1
48 1 . . . parsed_2lwu 1
49 1 . . . parsed_2lwu 1
50 1 . . . parsed_2lwu 1
51 1 . . . parsed_2lwu 1
52 1 . . . parsed_2lwu 1
53 1 . . . parsed_2lwu 1
54 1 . . . parsed_2lwu 1
55 1 . . . parsed_2lwu 1
56 1 . . . parsed_2lwu 1
57 1 . . . parsed_2lwu 1
58 1 . . . parsed_2lwu 1
59 1 . . . parsed_2lwu 1
60 1 . . . parsed_2lwu 1
61 1 . . . parsed_2lwu 1
62 1 . . . parsed_2lwu 1
63 1 . . . parsed_2lwu 1
64 1 . . . parsed_2lwu 1
65 1 . . . parsed_2lwu 1
66 1 . . . parsed_2lwu 1
67 1 . . . parsed_2lwu 1
68 1 . . . parsed_2lwu 1
69 1 . . . parsed_2lwu 1
70 1 . . . parsed_2lwu 1
71 1 . . . parsed_2lwu 1
72 1 . . . parsed_2lwu 1
73 1 . . . parsed_2lwu 1
74 1 . . . parsed_2lwu 1
75 1 . . . parsed_2lwu 1
76 1 . . . parsed_2lwu 1
77 1 . . . parsed_2lwu 1
78 1 . . . parsed_2lwu 1
79 1 . . . parsed_2lwu 1
80 1 . . . parsed_2lwu 1
81 1 . . . parsed_2lwu 1
82 1 . . . parsed_2lwu 1
83 1 . . . parsed_2lwu 1
84 1 . . . parsed_2lwu 1
85 1 . . . parsed_2lwu 1
86 1 . . . parsed_2lwu 1
87 1 . . . parsed_2lwu 1
88 1 . . . parsed_2lwu 1
89 1 . . . parsed_2lwu 1
90 1 . . . parsed_2lwu 1
91 1 . . . parsed_2lwu 1
92 1 . . . parsed_2lwu 1
93 1 . . . parsed_2lwu 1
94 1 . . . parsed_2lwu 1
95 1 . . . parsed_2lwu 1
96 1 . . . parsed_2lwu 1
97 1 . . . parsed_2lwu 1
98 1 . . . parsed_2lwu 1
99 1 . . . parsed_2lwu 1
100 1 . . . parsed_2lwu 1
101 1 . . . parsed_2lwu 1
102 1 . . . parsed_2lwu 1
103 1 . . . parsed_2lwu 1
104 1 . . . parsed_2lwu 1
105 1 . . . parsed_2lwu 1
106 1 . . . parsed_2lwu 1
107 1 . . . parsed_2lwu 1
108 1 . . . parsed_2lwu 1
109 1 . . . parsed_2lwu 1
110 1 . . . parsed_2lwu 1
111 1 . . . parsed_2lwu 1
112 1 . . . parsed_2lwu 1
113 1 . . . parsed_2lwu 1
114 1 . . . parsed_2lwu 1
115 1 . . . parsed_2lwu 1
116 1 . . . parsed_2lwu 1
117 1 . . . parsed_2lwu 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 3 CYSS HA parsed_2lwu 1
1 1 2 . . . . . . . . . 4 ILE H parsed_2lwu 1
2 1 1 . . . . . . . . . 3 CYSS H parsed_2lwu 1
2 1 2 . . . . . . . . . 3 CYSS HB2 parsed_2lwu 1
3 1 1 . . . . . . . . . 3 CYSS H parsed_2lwu 1
3 1 2 . . . . . . . . . 3 CYSS HB3 parsed_2lwu 1
4 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2lwu 1
4 1 2 . . . . . . . . . 4 ILE H parsed_2lwu 1
5 1 1 . . . . . . . . . 3 CYSS HB2 parsed_2lwu 1
5 1 2 . . . . . . . . . 4 ILE H parsed_2lwu 1
6 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
6 1 2 . . . . . . . . . 4 ILE HB parsed_2lwu 1
7 1 1 . . . . . . . . . 12 CYSS H parsed_2lwu 1
7 1 2 . . . . . . . . . 12 CYSS HB3 parsed_2lwu 1
8 1 1 . . . . . . . . . 12 CYSS H parsed_2lwu 1
8 1 2 . . . . . . . . . 12 CYSS HB2 parsed_2lwu 1
9 1 1 . . . . . . . . . 3 CYSS HA parsed_2lwu 1
9 1 2 . . . . . . . . . 12 CYSS HA parsed_2lwu 1
10 1 1 . . . . . . . . . 12 CYSS HA parsed_2lwu 1
10 1 2 . . . . . . . . . 13 LEU H parsed_2lwu 1
11 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 1
11 1 2 . . . . . . . . . 13 LEU HB2 parsed_2lwu 1
12 1 1 . . . . . . . . . 11 ILE HA parsed_2lwu 1
12 1 2 . . . . . . . . . 12 CYSS H parsed_2lwu 1
13 1 1 . . . . . . . . . 11 ILE H parsed_2lwu 1
13 1 2 . . . . . . . . . 11 ILE HB parsed_2lwu 1
14 1 1 . . . . . . . . . 11 ILE HB parsed_2lwu 1
14 1 2 . . . . . . . . . 12 CYSS H parsed_2lwu 1
15 1 1 . . . . . . . . . 13 LEU HA parsed_2lwu 1
15 1 2 . . . . . . . . . 14 ARG H parsed_2lwu 1
16 1 1 . . . . . . . . . 14 ARG H parsed_2lwu 1
16 1 2 . . . . . . . . . 14 ARG QB parsed_2lwu 1
17 1 1 . . . . . . . . . 15 ASP H parsed_2lwu 1
17 1 2 . . . . . . . . . 15 ASP HB2 parsed_2lwu 1
18 1 1 . . . . . . . . . 15 ASP H parsed_2lwu 1
18 1 2 . . . . . . . . . 15 ASP HB3 parsed_2lwu 1
19 1 1 . . . . . . . . . 1 GLY H parsed_2lwu 1
19 1 2 . . . . . . . . . 15 ASP HA parsed_2lwu 1
20 1 1 . . . . . . . . . 14 ARG HA parsed_2lwu 1
20 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
21 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 1
21 1 2 . . . . . . . . . 13 LEU HB3 parsed_2lwu 1
22 1 1 . . . . . . . . . 13 LEU HB3 parsed_2lwu 1
22 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
23 1 1 . . . . . . . . . 14 ARG QB parsed_2lwu 1
23 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
24 1 1 . . . . . . . . . 13 LEU HB2 parsed_2lwu 1
24 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
25 1 1 . . . . . . . . . 2 HIS QB parsed_2lwu 1
25 1 2 . . . . . . . . . 3 CYSS H parsed_2lwu 1
26 1 1 . . . . . . . . . 2 HIS HA parsed_2lwu 1
26 1 2 . . . . . . . . . 3 CYSS H parsed_2lwu 1
27 1 1 . . . . . . . . . 10 PRO HA parsed_2lwu 1
27 1 2 . . . . . . . . . 11 ILE H parsed_2lwu 1
28 1 1 . . . . . . . . . 8 SER H parsed_2lwu 1
28 1 2 . . . . . . . . . 9 GLY H parsed_2lwu 1
29 1 1 . . . . . . . . . 8 SER QB parsed_2lwu 1
29 1 2 . . . . . . . . . 9 GLY H parsed_2lwu 1
30 1 1 . . . . . . . . . 6 THR HA parsed_2lwu 1
30 1 2 . . . . . . . . . 7 THR H parsed_2lwu 1
31 1 1 . . . . . . . . . 6 THR HB parsed_2lwu 1
31 1 2 . . . . . . . . . 7 THR H parsed_2lwu 1
32 1 1 . . . . . . . . . 7 THR H parsed_2lwu 1
32 1 2 . . . . . . . . . 7 THR HB parsed_2lwu 1
33 1 1 . . . . . . . . . 7 THR HB parsed_2lwu 1
33 1 2 . . . . . . . . . 8 SER H parsed_2lwu 1
34 1 1 . . . . . . . . . 6 THR HB parsed_2lwu 1
34 1 2 . . . . . . . . . 8 SER H parsed_2lwu 1
35 1 1 . . . . . . . . . 12 CYSS HB3 parsed_2lwu 1
35 1 2 . . . . . . . . . 13 LEU H parsed_2lwu 1
36 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
36 1 2 . . . . . . . . . 11 ILE H parsed_2lwu 1
37 1 1 . . . . . . . . . 7 THR H parsed_2lwu 1
37 1 2 . . . . . . . . . 8 SER H parsed_2lwu 1
38 1 1 . . . . . . . . . 14 ARG H parsed_2lwu 1
38 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
39 1 1 . . . . . . . . . 1 GLY H parsed_2lwu 1
39 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
40 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
40 1 2 . . . . . . . . . 12 CYSS HA parsed_2lwu 1
41 1 1 . . . . . . . . . 3 CYSS HA parsed_2lwu 1
41 1 2 . . . . . . . . . 13 LEU H parsed_2lwu 1
42 1 1 . . . . . . . . . 12 CYSS HB2 parsed_2lwu 1
42 1 2 . . . . . . . . . 13 LEU H parsed_2lwu 1
43 1 1 . . . . . . . . . 3 CYSS H parsed_2lwu 1
43 1 2 . . . . . . . . . 4 ILE H parsed_2lwu 1
44 1 1 . . . . . . . . . 1 GLY H parsed_2lwu 1
44 1 2 . . . . . . . . . 2 HIS H parsed_2lwu 1
45 1 1 . . . . . . . . . 6 THR H parsed_2lwu 1
45 1 2 . . . . . . . . . 7 THR H parsed_2lwu 1
46 1 1 . . . . . . . . . 6 THR H parsed_2lwu 1
46 1 2 . . . . . . . . . 10 PRO HA parsed_2lwu 1
47 1 1 . . . . . . . . . 5 PRO HA parsed_2lwu 1
47 1 2 . . . . . . . . . 10 PRO HA parsed_2lwu 1
48 1 1 . . . . . . . . . 5 PRO HA parsed_2lwu 1
48 1 2 . . . . . . . . . 6 THR H parsed_2lwu 1
49 1 1 . . . . . . . . . 5 PRO HB3 parsed_2lwu 1
49 1 2 . . . . . . . . . 6 THR H parsed_2lwu 1
50 1 1 . . . . . . . . . 7 THR HA parsed_2lwu 1
50 1 2 . . . . . . . . . 9 GLY H parsed_2lwu 1
51 1 1 . . . . . . . . . 7 THR HA parsed_2lwu 1
51 1 2 . . . . . . . . . 7 THR HB parsed_2lwu 1
52 1 1 . . . . . . . . . 5 PRO HA parsed_2lwu 1
52 1 2 . . . . . . . . . 11 ILE H parsed_2lwu 1
53 1 1 . . . . . . . . . 2 HIS H parsed_2lwu 1
53 1 2 . . . . . . . . . 3 CYSS H parsed_2lwu 1
54 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
54 1 2 . . . . . . . . . 4 ILE HG12 parsed_2lwu 1
55 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
55 1 2 . . . . . . . . . 4 ILE HG13 parsed_2lwu 1
56 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 1
56 1 2 . . . . . . . . . 13 LEU HG parsed_2lwu 1
57 1 1 . . . . . . . . . 11 ILE H parsed_2lwu 1
57 1 2 . . . . . . . . . 11 ILE HG12 parsed_2lwu 1
58 1 1 . . . . . . . . . 11 ILE H parsed_2lwu 1
58 1 2 . . . . . . . . . 11 ILE HG13 parsed_2lwu 1
59 1 1 . . . . . . . . . 14 ARG H parsed_2lwu 1
59 1 2 . . . . . . . . . 14 ARG QD parsed_2lwu 1
60 1 1 . . . . . . . . . 14 ARG H parsed_2lwu 1
60 1 2 . . . . . . . . . 14 ARG QG parsed_2lwu 1
61 1 1 . . . . . . . . . 14 ARG QB parsed_2lwu 1
61 1 2 . . . . . . . . . 14 ARG HE parsed_2lwu 1
62 1 1 . . . . . . . . . 14 ARG HA parsed_2lwu 1
62 1 2 . . . . . . . . . 14 ARG HE parsed_2lwu 1
63 1 1 . . . . . . . . . 1 GLY H parsed_2lwu 1
63 1 2 . . . . . . . . . 15 ASP HB2 parsed_2lwu 1
64 1 1 . . . . . . . . . 1 GLY H parsed_2lwu 1
64 1 2 . . . . . . . . . 15 ASP HB3 parsed_2lwu 1
65 1 1 . . . . . . . . . 14 ARG QG parsed_2lwu 1
65 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
66 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2lwu 1
66 1 2 . . . . . . . . . 11 ILE H parsed_2lwu 1
67 1 1 . . . . . . . . . 9 GLY H parsed_2lwu 1
67 1 2 . . . . . . . . . 10 PRO QD parsed_2lwu 1
68 1 1 . . . . . . . . . 4 ILE HA parsed_2lwu 1
68 1 2 . . . . . . . . . 5 PRO HD2 parsed_2lwu 1
69 1 1 . . . . . . . . . 4 ILE HA parsed_2lwu 1
69 1 2 . . . . . . . . . 5 PRO HD3 parsed_2lwu 1
70 1 1 . . . . . . . . . 4 ILE HB parsed_2lwu 1
70 1 2 . . . . . . . . . 11 ILE H parsed_2lwu 1
71 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2lwu 1
71 1 2 . . . . . . . . . 10 PRO HB3 parsed_2lwu 1
72 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2lwu 1
72 1 2 . . . . . . . . . 12 CYSS HA parsed_2lwu 1
73 1 1 . . . . . . . . . 3 CYSS HA parsed_2lwu 1
73 1 2 . . . . . . . . . 12 CYSS HB2 parsed_2lwu 1
74 1 1 . . . . . . . . . 3 CYSS HA parsed_2lwu 1
74 1 2 . . . . . . . . . 12 CYSS HB3 parsed_2lwu 1
75 1 1 . . . . . . . . . 14 ARG HA parsed_2lwu 1
75 1 2 . . . . . . . . . 14 ARG QD parsed_2lwu 1
76 1 1 . . . . . . . . . 2 HIS HA parsed_2lwu 1
76 1 2 . . . . . . . . . 14 ARG QD parsed_2lwu 1
77 1 1 . . . . . . . . . 2 HIS H parsed_2lwu 1
77 1 2 . . . . . . . . . 2 HIS HD2 parsed_2lwu 1
78 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2lwu 1
78 1 2 . . . . . . . . . 10 PRO HB2 parsed_2lwu 1
79 1 1 . . . . . . . . . 14 ARG QD parsed_2lwu 1
79 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
80 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
80 1 2 . . . . . . . . . 4 ILE QG2 parsed_2lwu 1
81 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
81 1 2 . . . . . . . . . 4 ILE QD1 parsed_2lwu 1
82 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 1
82 1 2 . . . . . . . . . 13 LEU QD1 parsed_2lwu 1
83 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 1
83 1 2 . . . . . . . . . 13 LEU QD2 parsed_2lwu 1
84 1 1 . . . . . . . . . 11 ILE H parsed_2lwu 1
84 1 2 . . . . . . . . . 11 ILE QD1 parsed_2lwu 1
85 1 1 . . . . . . . . . 11 ILE QD1 parsed_2lwu 1
85 1 2 . . . . . . . . . 12 CYSS H parsed_2lwu 1
86 1 1 . . . . . . . . . 13 LEU QD2 parsed_2lwu 1
86 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
87 1 1 . . . . . . . . . 13 LEU QD1 parsed_2lwu 1
87 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
88 1 1 . . . . . . . . . 6 THR H parsed_2lwu 1
88 1 2 . . . . . . . . . 6 THR QG2 parsed_2lwu 1
89 1 1 . . . . . . . . . 6 THR QG2 parsed_2lwu 1
89 1 2 . . . . . . . . . 7 THR H parsed_2lwu 1
90 1 1 . . . . . . . . . 7 THR H parsed_2lwu 1
90 1 2 . . . . . . . . . 7 THR QG2 parsed_2lwu 1
91 1 1 . . . . . . . . . 6 THR QG2 parsed_2lwu 1
91 1 2 . . . . . . . . . 11 ILE H parsed_2lwu 1
92 1 1 . . . . . . . . . 6 THR QG2 parsed_2lwu 1
92 1 2 . . . . . . . . . 8 SER H parsed_2lwu 1
93 1 1 . . . . . . . . . 7 THR QG2 parsed_2lwu 1
93 1 2 . . . . . . . . . 8 SER H parsed_2lwu 1
94 1 1 . . . . . . . . . 2 HIS HD1 parsed_2lwu 1
94 1 2 . . . . . . . . . 4 ILE QG2 parsed_2lwu 1
95 1 1 . . . . . . . . . 4 ILE HA parsed_2lwu 1
95 1 2 . . . . . . . . . 4 ILE QD1 parsed_2lwu 1
96 1 1 . . . . . . . . . 11 ILE HA parsed_2lwu 1
96 1 2 . . . . . . . . . 11 ILE QD1 parsed_2lwu 1
97 1 1 . . . . . . . . . 4 ILE HB parsed_2lwu 1
97 1 2 . . . . . . . . . 6 THR QG2 parsed_2lwu 1
98 1 1 . . . . . . . . . 6 THR QG2 parsed_2lwu 1
98 1 2 . . . . . . . . . 11 ILE HB parsed_2lwu 1
99 1 1 . . . . . . . . . 4 ILE QD1 parsed_2lwu 1
99 1 2 . . . . . . . . . 13 LEU HA parsed_2lwu 1
100 1 1 . . . . . . . . . 13 LEU HA parsed_2lwu 1
100 1 2 . . . . . . . . . 13 LEU QD2 parsed_2lwu 1
101 1 1 . . . . . . . . . 13 LEU HA parsed_2lwu 1
101 1 2 . . . . . . . . . 13 LEU QD1 parsed_2lwu 1
102 1 1 . . . . . . . . . 1 GLY H parsed_2lwu 1
102 1 2 . . . . . . . . . 13 LEU QB parsed_2lwu 1
103 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2lwu 1
103 1 2 . . . . . . . . . 10 PRO QB parsed_2lwu 1
104 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
104 1 2 . . . . . . . . . 4 ILE QG1 parsed_2lwu 1
105 1 1 . . . . . . . . . 4 ILE H parsed_2lwu 1
105 1 2 . . . . . . . . . 10 PRO QB parsed_2lwu 1
106 1 1 . . . . . . . . . 4 ILE HA parsed_2lwu 1
106 1 2 . . . . . . . . . 5 PRO QD parsed_2lwu 1
107 1 1 . . . . . . . . . 4 ILE QG2 parsed_2lwu 1
107 1 2 . . . . . . . . . 5 PRO QD parsed_2lwu 1
108 1 1 . . . . . . . . . 5 PRO QG parsed_2lwu 1
108 1 2 . . . . . . . . . 6 THR H parsed_2lwu 1
109 1 1 . . . . . . . . . 5 PRO QD parsed_2lwu 1
109 1 2 . . . . . . . . . 6 THR H parsed_2lwu 1
110 1 1 . . . . . . . . . 6 THR H parsed_2lwu 1
110 1 2 . . . . . . . . . 9 GLY QA parsed_2lwu 1
111 1 1 . . . . . . . . . 10 PRO QB parsed_2lwu 1
111 1 2 . . . . . . . . . 11 ILE H parsed_2lwu 1
112 1 1 . . . . . . . . . 11 ILE H parsed_2lwu 1
112 1 2 . . . . . . . . . 11 ILE QG1 parsed_2lwu 1
113 1 1 . . . . . . . . . 11 ILE QG1 parsed_2lwu 1
113 1 2 . . . . . . . . . 12 CYSS H parsed_2lwu 1
114 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 1
114 1 2 . . . . . . . . . 13 LEU QB parsed_2lwu 1
115 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 1
115 1 2 . . . . . . . . . 13 LEU QQD parsed_2lwu 1
116 1 1 . . . . . . . . . 13 LEU QB parsed_2lwu 1
116 1 2 . . . . . . . . . 13 LEU HG parsed_2lwu 1
117 1 1 . . . . . . . . . 13 LEU QB parsed_2lwu 1
117 1 2 . . . . . . . . . 15 ASP H parsed_2lwu 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.74 parsed_2lwu 1
2 1 . . . . . . . 3.33 parsed_2lwu 1
3 1 . . . . . . . 4.20 parsed_2lwu 1
4 1 . . . . . . . 3.73 parsed_2lwu 1
5 1 . . . . . . . 4.45 parsed_2lwu 1
6 1 . . . . . . . 3.58 parsed_2lwu 1
7 1 . . . . . . . 4.01 parsed_2lwu 1
8 1 . . . . . . . 3.27 parsed_2lwu 1
9 1 . . . . . . . 2.87 parsed_2lwu 1
10 1 . . . . . . . 2.68 parsed_2lwu 1
11 1 . . . . . . . 3.48 parsed_2lwu 1
12 1 . . . . . . . 2.71 parsed_2lwu 1
13 1 . . . . . . . 3.42 parsed_2lwu 1
14 1 . . . . . . . 4.26 parsed_2lwu 1
15 1 . . . . . . . 2.87 parsed_2lwu 1
16 1 . . . . . . . 4.18 parsed_2lwu 1
17 1 . . . . . . . 3.89 parsed_2lwu 1
18 1 . . . . . . . 3.89 parsed_2lwu 1
19 1 . . . . . . . 3.58 parsed_2lwu 1
20 1 . . . . . . . 3.33 parsed_2lwu 1
21 1 . . . . . . . 3.48 parsed_2lwu 1
22 1 . . . . . . . 3.67 parsed_2lwu 1
23 1 . . . . . . . 5.14 parsed_2lwu 1
24 1 . . . . . . . 3.67 parsed_2lwu 1
25 1 . . . . . . . 5.39 parsed_2lwu 1
26 1 . . . . . . . 2.83 parsed_2lwu 1
27 1 . . . . . . . 2.83 parsed_2lwu 1
28 1 . . . . . . . 3.27 parsed_2lwu 1
29 1 . . . . . . . 6.35 parsed_2lwu 1
30 1 . . . . . . . 2.99 parsed_2lwu 1
31 1 . . . . . . . 2.77 parsed_2lwu 1
32 1 . . . . . . . 3.58 parsed_2lwu 1
33 1 . . . . . . . 4.17 parsed_2lwu 1
34 1 . . . . . . . 3.79 parsed_2lwu 1
35 1 . . . . . . . 3.86 parsed_2lwu 1
36 1 . . . . . . . 3.61 parsed_2lwu 1
37 1 . . . . . . . 3.52 parsed_2lwu 1
38 1 . . . . . . . 3.61 parsed_2lwu 1
39 1 . . . . . . . 3.39 parsed_2lwu 1
40 1 . . . . . . . 3.95 parsed_2lwu 1
41 1 . . . . . . . 3.76 parsed_2lwu 1
42 1 . . . . . . . 4.54 parsed_2lwu 1
43 1 . . . . . . . 4.57 parsed_2lwu 1
44 1 . . . . . . . 3.48 parsed_2lwu 1
45 1 . . . . . . . 4.66 parsed_2lwu 1
46 1 . . . . . . . 3.39 parsed_2lwu 1
47 1 . . . . . . . 3.48 parsed_2lwu 1
48 1 . . . . . . . 2.74 parsed_2lwu 1
49 1 . . . . . . . 4.23 parsed_2lwu 1
50 1 . . . . . . . 4.57 parsed_2lwu 1
51 1 . . . . . . . 2.96 parsed_2lwu 1
52 1 . . . . . . . 4.42 parsed_2lwu 1
53 1 . . . . . . . 5.50 parsed_2lwu 1
54 1 . . . . . . . 4.72 parsed_2lwu 1
55 1 . . . . . . . 4.72 parsed_2lwu 1
56 1 . . . . . . . 3.86 parsed_2lwu 1
57 1 . . . . . . . 5.31 parsed_2lwu 1
58 1 . . . . . . . 5.31 parsed_2lwu 1
59 1 . . . . . . . 6.38 parsed_2lwu 1
60 1 . . . . . . . 6.04 parsed_2lwu 1
61 1 . . . . . . . 6.38 parsed_2lwu 1
62 1 . . . . . . . 5.50 parsed_2lwu 1
63 1 . . . . . . . 5.50 parsed_2lwu 1
64 1 . . . . . . . 5.50 parsed_2lwu 1
65 1 . . . . . . . 6.38 parsed_2lwu 1
66 1 . . . . . . . 5.50 parsed_2lwu 1
67 1 . . . . . . . 6.39 parsed_2lwu 1
68 1 . . . . . . . 3.52 parsed_2lwu 1
69 1 . . . . . . . 3.52 parsed_2lwu 1
70 1 . . . . . . . 5.50 parsed_2lwu 1
71 1 . . . . . . . 5.50 parsed_2lwu 1
72 1 . . . . . . . 5.50 parsed_2lwu 1
73 1 . . . . . . . 5.50 parsed_2lwu 1
74 1 . . . . . . . 5.50 parsed_2lwu 1
75 1 . . . . . . . 6.38 parsed_2lwu 1
76 1 . . . . . . . 5.79 parsed_2lwu 1
77 1 . . . . . . . 5.50 parsed_2lwu 1
78 1 . . . . . . . 5.50 parsed_2lwu 1
79 1 . . . . . . . 6.38 parsed_2lwu 1
80 1 . . . . . . . 6.52 parsed_2lwu 1
81 1 . . . . . . . 6.52 parsed_2lwu 1
82 1 . . . . . . . 6.52 parsed_2lwu 1
83 1 . . . . . . . 6.52 parsed_2lwu 1
84 1 . . . . . . . 6.40 parsed_2lwu 1
85 1 . . . . . . . 5.78 parsed_2lwu 1
86 1 . . . . . . . 6.52 parsed_2lwu 1
87 1 . . . . . . . 6.52 parsed_2lwu 1
88 1 . . . . . . . 5.87 parsed_2lwu 1
89 1 . . . . . . . 6.36 parsed_2lwu 1
90 1 . . . . . . . 4.97 parsed_2lwu 1
91 1 . . . . . . . 6.52 parsed_2lwu 1
92 1 . . . . . . . 6.52 parsed_2lwu 1
93 1 . . . . . . . 6.52 parsed_2lwu 1
94 1 . . . . . . . 6.52 parsed_2lwu 1
95 1 . . . . . . . 5.00 parsed_2lwu 1
96 1 . . . . . . . 5.56 parsed_2lwu 1
97 1 . . . . . . . 6.52 parsed_2lwu 1
98 1 . . . . . . . 6.52 parsed_2lwu 1
99 1 . . . . . . . 6.52 parsed_2lwu 1
100 1 . . . . . . . 6.52 parsed_2lwu 1
101 1 . . . . . . . 6.52 parsed_2lwu 1
102 1 . . . . . . . 5.34 parsed_2lwu 1
103 1 . . . . . . . 4.83 parsed_2lwu 1
104 1 . . . . . . . 4.14 parsed_2lwu 1
105 1 . . . . . . . 5.34 parsed_2lwu 1
106 1 . . . . . . . 3.06 parsed_2lwu 1
107 1 . . . . . . . 6.03 parsed_2lwu 1
108 1 . . . . . . . 5.03 parsed_2lwu 1
109 1 . . . . . . . 4.96 parsed_2lwu 1
110 1 . . . . . . . 4.85 parsed_2lwu 1
111 1 . . . . . . . 3.95 parsed_2lwu 1
112 1 . . . . . . . 4.66 parsed_2lwu 1
113 1 . . . . . . . 5.34 parsed_2lwu 1
114 1 . . . . . . . 2.91 parsed_2lwu 1
115 1 . . . . . . . 5.62 parsed_2lwu 1
116 1 . . . . . . . 2.31 parsed_2lwu 1
117 1 . . . . . . . 3.18 parsed_2lwu 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 "peak 2" 1 49 1 55 parsed_2lwu 1
2 "peak 4" 2 49 2 55 parsed_2lwu 1
3 "peak 5" 3 49 3 55 parsed_2lwu 1
4 "peak 6" 4 49 4 55 parsed_2lwu 1
5 "peak 7" 5 49 5 55 parsed_2lwu 1
6 "peak 8" 6 49 6 55 parsed_2lwu 1
7 "peak 13" 7 49 7 56 parsed_2lwu 1
8 "peak 14" 8 49 8 56 parsed_2lwu 1
9 "peak 16" 9 49 9 56 parsed_2lwu 1
10 "peak 27" 10 49 10 56 parsed_2lwu 1
11 "peak 29" 11 49 11 56 parsed_2lwu 1
12 "peak 34" 12 49 12 56 parsed_2lwu 1
13 "peak 35" 13 49 13 56 parsed_2lwu 1
14 "peak 36" 14 49 14 56 parsed_2lwu 1
15 "peak 42" 15 49 15 56 parsed_2lwu 1
16 "peak 46" 16 49 16 56 parsed_2lwu 1
17 "peak 52" 17 49 17 56 parsed_2lwu 1
18 "peak 53" 18 49 18 56 parsed_2lwu 1
19 "peak 54" 19 49 19 56 parsed_2lwu 1
20 "peak 61" 20 49 20 56 parsed_2lwu 1
21 "peak 63" 21 49 21 56 parsed_2lwu 1
22 "peak 64" 22 49 22 56 parsed_2lwu 1
23 "peak 65" 23 49 23 56 parsed_2lwu 1
24 "peak 66" 24 49 24 56 parsed_2lwu 1
25 "peak 70" 25 49 25 56 parsed_2lwu 1
26 "peak 75" 26 49 26 56 parsed_2lwu 1
27 "peak 80" 27 49 27 56 parsed_2lwu 1
28 "peak 84" 28 49 28 56 parsed_2lwu 1
29 "peak 86" 29 49 29 56 parsed_2lwu 1
30 "peak 88" 30 49 30 56 parsed_2lwu 1
31 "peak 90" 31 49 31 56 parsed_2lwu 1
32 "peak 94" 32 49 32 56 parsed_2lwu 1
33 "peak 96" 33 49 33 56 parsed_2lwu 1
34 "peak 98" 34 49 34 56 parsed_2lwu 1
35 "peak 99" 35 49 35 56 parsed_2lwu 1
36 "peak 100" 36 49 36 57 parsed_2lwu 1
37 "peak 102" 37 49 37 57 parsed_2lwu 1
38 "peak 104" 38 49 38 57 parsed_2lwu 1
39 "peak 107" 39 49 39 57 parsed_2lwu 1
40 "peak 114" 40 49 40 57 parsed_2lwu 1
41 "peak 115" 41 49 41 57 parsed_2lwu 1
42 "peak 118" 42 49 42 57 parsed_2lwu 1
43 "peak 119" 43 49 43 57 parsed_2lwu 1
44 "peak 120" 44 49 44 57 parsed_2lwu 1
45 "peak 121" 45 49 45 57 parsed_2lwu 1
46 "peak 144" 46 49 46 57 parsed_2lwu 1
47 "peak 146" 47 49 47 57 parsed_2lwu 1
48 "peak 150" 48 49 48 57 parsed_2lwu 1
49 "peak 154" 49 49 49 57 parsed_2lwu 1
50 "peak 183" 50 49 50 57 parsed_2lwu 1
51 "peak 223" 51 49 51 57 parsed_2lwu 1
52 "peak 307" 52 49 52 57 parsed_2lwu 1
53 "peak 329" 53 49 53 57 parsed_2lwu 1
54 "peak 9" 54 49 54 55 parsed_2lwu 1
55 "peak 10" 55 49 55 56 parsed_2lwu 1
56 "peak 30" 56 49 56 56 parsed_2lwu 1
57 "peak 37" 57 49 57 56 parsed_2lwu 1
58 "peak 38" 58 49 58 56 parsed_2lwu 1
59 "peak 44" 59 49 59 56 parsed_2lwu 1
60 "peak 47" 60 49 60 56 parsed_2lwu 1
61 "peak 48" 61 49 61 56 parsed_2lwu 1
62 "peak 50" 62 49 62 56 parsed_2lwu 1
63 "peak 59" 63 49 63 56 parsed_2lwu 1
64 "peak 60" 64 49 64 56 parsed_2lwu 1
65 "peak 62" 65 49 65 56 parsed_2lwu 1
66 "peak 117" 66 49 66 57 parsed_2lwu 1
67 "peak 136" 67 49 67 57 parsed_2lwu 1
68 "peak 148" 68 49 68 57 parsed_2lwu 1
69 "peak 149" 69 49 69 57 parsed_2lwu 1
70 "peak 185" 70 49 70 57 parsed_2lwu 1
71 "peak 191" 71 49 71 57 parsed_2lwu 1
72 "peak 193" 72 49 72 57 parsed_2lwu 1
73 "peak 197" 73 49 73 57 parsed_2lwu 1
74 "peak 198" 74 49 74 57 parsed_2lwu 1
75 "peak 206" 75 49 75 57 parsed_2lwu 1
76 "peak 217" 76 49 76 57 parsed_2lwu 1
77 "peak 306" 77 49 77 57 parsed_2lwu 1
78 "peak 326" 78 49 78 57 parsed_2lwu 1
79 "peak 328" 79 49 79 57 parsed_2lwu 1
80 "peak 11" 80 49 80 56 parsed_2lwu 1
81 "peak 12" 81 49 81 56 parsed_2lwu 1
82 "peak 31" 82 49 82 56 parsed_2lwu 1
83 "peak 32" 83 49 83 56 parsed_2lwu 1
84 "peak 40" 84 49 84 56 parsed_2lwu 1
85 "peak 41" 85 49 85 56 parsed_2lwu 1
86 "peak 67" 86 49 86 56 parsed_2lwu 1
87 "peak 68" 87 49 87 56 parsed_2lwu 1
88 "peak 91" 88 49 88 56 parsed_2lwu 1
89 "peak 92" 89 49 89 56 parsed_2lwu 1
90 "peak 93" 90 49 90 56 parsed_2lwu 1
91 "peak 116" 91 49 91 57 parsed_2lwu 1
92 "peak 186" 92 49 92 57 parsed_2lwu 1
93 "peak 187" 93 49 93 57 parsed_2lwu 1
94 "peak 188" 94 49 94 57 parsed_2lwu 1
95 "peak 221" 95 49 95 57 parsed_2lwu 1
96 "peak 246" 96 49 96 57 parsed_2lwu 1
97 "peak 284" 97 49 97 57 parsed_2lwu 1
98 "peak 285" 98 49 98 57 parsed_2lwu 1
99 "peak 292" 99 49 99 57 parsed_2lwu 1
100 "peak 303" 100 49 100 57 parsed_2lwu 1
101 "peak 304" 101 49 101 57 parsed_2lwu 1
102 "peak 258" 102 49 102 57 parsed_2lwu 1
103 "peak 191" 103 49 103 57 parsed_2lwu 1
104 "peak 10" 104 49 104 56 parsed_2lwu 1
105 "peak 137" 105 49 105 57 parsed_2lwu 1
106 "peak 148" 106 49 106 57 parsed_2lwu 1
107 "peak 325" 107 49 107 57 parsed_2lwu 1
108 "peak 153" 108 49 108 57 parsed_2lwu 1
109 "peak 151" 109 49 109 57 parsed_2lwu 1
110 "peak 145" 110 49 110 57 parsed_2lwu 1
111 "peak 184" 111 49 111 57 parsed_2lwu 1
112 "peak 37" 112 49 112 56 parsed_2lwu 1
113 "peak 39" 113 49 113 56 parsed_2lwu 1
114 "peak 29" 114 49 114 56 parsed_2lwu 1
115 "peak 32" 115 49 115 56 parsed_2lwu 1
116 "peak 293" 116 49 116 57 parsed_2lwu 1
117 "peak 66" 117 49 117 56 parsed_2lwu 1
118 "peak 53" 118 49 118 56 parsed_2lwu 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
;
15 ASP H 15 ASP QB 3.23 #peak 53
Dihedral angles
;
118 2 120 16 parsed_2lwu 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lwu
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.8 -33.0 . . 2 HIS . . . . . . . . . . . . . parsed_2lwu 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.9 202.1 . . 2 HIS . . . . . . . . . . . . . parsed_2lwu 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -102.6 . . 3 CYSS . . . . . . . . . . . . . parsed_2lwu 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.5 185.0 . . 3 CYSS . . . . . . . . . . . . . parsed_2lwu 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.7 -87.7 . . 4 ILE . . . . . . . . . . . . . parsed_2lwu 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 5 PRO . . . . . . . . . . . . . parsed_2lwu 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.8 -50.4 . . 6 THR . . . . . . . . . . . . . parsed_2lwu 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.3 186.1 . . 6 THR . . . . . . . . . . . . . parsed_2lwu 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . . 7 THR . . . . . . . . . . . . . parsed_2lwu 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.1 -8.6 . . 7 THR . . . . . . . . . . . . . parsed_2lwu 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -52.2 . . 8 SER . . . . . . . . . . . . . parsed_2lwu 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -1.2 . . 8 SER . . . . . . . . . . . . . parsed_2lwu 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.6 173.0 . . 10 PRO . . . . . . . . . . . . . parsed_2lwu 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.2 -66.7 . . 11 ILE . . . . . . . . . . . . . parsed_2lwu 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 182.1 . . 11 ILE . . . . . . . . . . . . . parsed_2lwu 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -73.6 . . 12 CYSS . . . . . . . . . . . . . parsed_2lwu 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 165.5 . . 12 CYSS . . . . . . . . . . . . . parsed_2lwu 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.9 -46.6 . . 13 LEU . . . . . . . . . . . . . parsed_2lwu 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.9 207.3 . . 13 LEU . . . . . . . . . . . . . parsed_2lwu 1
20 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 3 CYSS . . . . . . . . . . . . . parsed_2lwu 1
21 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 6 THR . . . . . . . . . . . . . parsed_2lwu 1
22 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 12 CYSS . . . . . . . . . . . . . parsed_2lwu 1
23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 14 ARG . . . . . . . . . . . . . parsed_2lwu 1
24 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210 -30 . . 15 ASP . . . . . . . . . . . . . parsed_2lwu 1
25 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 8 SER . . . . . . . . . . . . . parsed_2lwu 1
26 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 7 THR . . . . . . . . . . . . . parsed_2lwu 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "Hydrogen Bonds" 28 1 28 15 parsed_2lwu 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lwu
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2lwu 2
2 1 . . . parsed_2lwu 2
3 1 . . . parsed_2lwu 2
4 1 . . . parsed_2lwu 2
5 1 . . . parsed_2lwu 2
6 1 . . . parsed_2lwu 2
7 1 . . . parsed_2lwu 2
8 1 . . . parsed_2lwu 2
9 1 . . . parsed_2lwu 2
10 1 . . . parsed_2lwu 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 . . . . . . . . . 4 ILE H parsed_2lwu 2
1 1 2 . . . . . . . . . 11 ILE O parsed_2lwu 2
2 1 1 . . . . . . . . . 4 ILE N parsed_2lwu 2
2 1 2 . . . . . . . . . 11 ILE O parsed_2lwu 2
3 1 1 . . . . . . . . . 11 ILE H parsed_2lwu 2
3 1 2 . . . . . . . . . 4 ILE O parsed_2lwu 2
4 1 1 . . . . . . . . . 11 ILE N parsed_2lwu 2
4 1 2 . . . . . . . . . 4 ILE O parsed_2lwu 2
5 1 1 . . . . . . . . . 6 THR H parsed_2lwu 2
5 1 2 . . . . . . . . . 9 GLY O parsed_2lwu 2
6 1 1 . . . . . . . . . 6 THR N parsed_2lwu 2
6 1 2 . . . . . . . . . 9 GLY O parsed_2lwu 2
7 1 1 . . . . . . . . . 9 GLY H parsed_2lwu 2
7 1 2 . . . . . . . . . 6 THR O parsed_2lwu 2
8 1 1 . . . . . . . . . 9 GLY N parsed_2lwu 2
8 1 2 . . . . . . . . . 6 THR O parsed_2lwu 2
9 1 1 . . . . . . . . . 13 LEU H parsed_2lwu 2
9 1 2 . . . . . . . . . 2 HIS O parsed_2lwu 2
10 1 1 . . . . . . . . . 13 LEU N parsed_2lwu 2
10 1 2 . . . . . . . . . 2 HIS O parsed_2lwu 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 parsed_2lwu 2
2 1 . . . . . . . 3.30 parsed_2lwu 2
3 1 . . . . . . . 2.30 parsed_2lwu 2
4 1 . . . . . . . 3.30 parsed_2lwu 2
5 1 . . . . . . . 2.30 parsed_2lwu 2
6 1 . . . . . . . 3.30 parsed_2lwu 2
7 1 . . . . . . . 2.30 parsed_2lwu 2
8 1 . . . . . . . 3.30 parsed_2lwu 2
9 1 . . . . . . . 2.30 parsed_2lwu 2
10 1 . . . . . . . 3.30 parsed_2lwu 2
stop_
save_
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