NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
647940 |
6otb   |
cing | 2-parsed | STAR | entry | full | 270 |
data_6otb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6otb
_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_6otb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6otb
_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 6otb "Master copy" parsed_6otb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6otb
_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 6otb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6otb 1
1 6otb.mr . . DYANA/DIANA 2 distance NOE simple 144 parsed_6otb 1
1 6otb.mr . . DYANA/DIANA 3 distance "general distance" simple 18 parsed_6otb 1
1 6otb.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 108 parsed_6otb 1
1 6otb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6otb 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_6otb
_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 TOXIN 02-MAY-19 6OTB
*TITLE NMR STRUCTURE OF ALPHA CONOTOXIN SII
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN S2;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: RESIDUES 51-69;
*COMPND 5 SYNONYM: ALPHA-CONOTOXIN SII;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS STRIATUS;
*SOURCE 4 ORGANISM_COMMON: STRIATED CONE;
*SOURCE 5 ORGANISM_TAXID: 6493
*KEYWDS TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR Y.K.-Y.CHIN,P.WILHELM,P.F.ALEWOOD
*REVDAT 1 06-MAY-20 6OTB 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6otb
_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_6otb 1
2 1 . . . parsed_6otb 1
3 1 . . . parsed_6otb 1
4 1 . . . parsed_6otb 1
5 1 . . . parsed_6otb 1
6 1 . . . parsed_6otb 1
7 1 . . . parsed_6otb 1
8 1 . . . parsed_6otb 1
9 1 . . . parsed_6otb 1
10 1 . . . parsed_6otb 1
11 1 . . . parsed_6otb 1
12 1 . . . parsed_6otb 1
13 1 . . . parsed_6otb 1
14 1 . . . parsed_6otb 1
15 1 . . . parsed_6otb 1
16 1 . . . parsed_6otb 1
17 1 . . . parsed_6otb 1
18 1 . . . parsed_6otb 1
19 1 . . . parsed_6otb 1
20 1 . . . parsed_6otb 1
21 1 . . . parsed_6otb 1
22 1 . . . parsed_6otb 1
23 1 . . . parsed_6otb 1
24 1 . . . parsed_6otb 1
25 1 . . . parsed_6otb 1
26 1 . . . parsed_6otb 1
27 1 . . . parsed_6otb 1
28 1 . . . parsed_6otb 1
29 1 . . . parsed_6otb 1
30 1 . . . parsed_6otb 1
31 1 . . . parsed_6otb 1
32 1 . . . parsed_6otb 1
33 1 . . . parsed_6otb 1
34 1 . . . parsed_6otb 1
35 1 . . . parsed_6otb 1
36 1 . . . parsed_6otb 1
37 1 . . . parsed_6otb 1
38 1 . . . parsed_6otb 1
39 1 . . . parsed_6otb 1
40 1 . . . parsed_6otb 1
41 1 . . . parsed_6otb 1
42 1 . . . parsed_6otb 1
43 1 . . . parsed_6otb 1
44 1 . . . parsed_6otb 1
45 1 . . . parsed_6otb 1
46 1 . . . parsed_6otb 1
47 1 . . . parsed_6otb 1
48 1 . . . parsed_6otb 1
49 1 . . . parsed_6otb 1
50 1 . . . parsed_6otb 1
51 1 . . . parsed_6otb 1
52 1 . . . parsed_6otb 1
53 1 . . . parsed_6otb 1
54 1 . . . parsed_6otb 1
55 1 . . . parsed_6otb 1
56 1 . . . parsed_6otb 1
57 1 . . . parsed_6otb 1
58 1 . . . parsed_6otb 1
59 1 . . . parsed_6otb 1
60 1 . . . parsed_6otb 1
61 1 . . . parsed_6otb 1
62 1 . . . parsed_6otb 1
63 1 . . . parsed_6otb 1
64 1 . . . parsed_6otb 1
65 1 . . . parsed_6otb 1
66 1 . . . parsed_6otb 1
67 1 . . . parsed_6otb 1
68 1 . . . parsed_6otb 1
69 1 . . . parsed_6otb 1
70 1 . . . parsed_6otb 1
71 1 . . . parsed_6otb 1
72 1 . . . parsed_6otb 1
73 1 . . . parsed_6otb 1
74 1 . . . parsed_6otb 1
75 1 . . . parsed_6otb 1
76 1 . . . parsed_6otb 1
77 1 . . . parsed_6otb 1
78 1 . . . parsed_6otb 1
79 1 . . . parsed_6otb 1
80 1 . . . parsed_6otb 1
81 1 . . . parsed_6otb 1
82 1 . . . parsed_6otb 1
83 1 . . . parsed_6otb 1
84 1 . . . parsed_6otb 1
85 1 . . . parsed_6otb 1
86 1 . . . parsed_6otb 1
87 1 . . . parsed_6otb 1
88 1 . . . parsed_6otb 1
89 1 . . . parsed_6otb 1
90 1 . . . parsed_6otb 1
91 1 . . . parsed_6otb 1
92 1 . . . parsed_6otb 1
93 1 . . . parsed_6otb 1
94 1 . . . parsed_6otb 1
95 1 . . . parsed_6otb 1
96 1 . . . parsed_6otb 1
97 1 . . . parsed_6otb 1
98 1 . . . parsed_6otb 1
99 1 . . . parsed_6otb 1
100 1 . . . parsed_6otb 1
101 1 . . . parsed_6otb 1
102 1 . . . parsed_6otb 1
103 1 . . . parsed_6otb 1
104 1 . . . parsed_6otb 1
105 1 . . . parsed_6otb 1
106 1 . . . parsed_6otb 1
107 1 . . . parsed_6otb 1
108 1 . . . parsed_6otb 1
109 1 . . . parsed_6otb 1
110 1 . . . parsed_6otb 1
111 1 . . . parsed_6otb 1
112 1 . . . parsed_6otb 1
113 1 . . . parsed_6otb 1
114 1 . . . parsed_6otb 1
115 1 . . . parsed_6otb 1
116 1 . . . parsed_6otb 1
117 1 . . . parsed_6otb 1
118 1 . . . parsed_6otb 1
119 1 . . . parsed_6otb 1
120 1 . . . parsed_6otb 1
121 1 . . . parsed_6otb 1
122 1 . . . parsed_6otb 1
123 1 . . . parsed_6otb 1
124 1 . . . parsed_6otb 1
125 1 . . . parsed_6otb 1
126 1 . . . parsed_6otb 1
127 1 . . . parsed_6otb 1
128 1 . . . parsed_6otb 1
129 1 . . . parsed_6otb 1
130 1 . . . parsed_6otb 1
131 1 . . . parsed_6otb 1
132 1 . . . parsed_6otb 1
133 1 . . . parsed_6otb 1
134 1 . . . parsed_6otb 1
135 1 . . . parsed_6otb 1
136 1 . . . parsed_6otb 1
137 1 . . . parsed_6otb 1
138 1 . . . parsed_6otb 1
139 1 . . . parsed_6otb 1
140 1 . . . parsed_6otb 1
141 1 . . . parsed_6otb 1
142 1 . . . parsed_6otb 1
143 1 . . . parsed_6otb 1
144 1 . . . parsed_6otb 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 . . . . . . . . . 4 CYSS H parsed_6otb 1
1 1 2 . . . . . . . . . 4 CYSS HB3 parsed_6otb 1
2 1 1 . . . . . . . . . 3 CYSS HB2 parsed_6otb 1
2 1 2 . . . . . . . . . 4 CYSS H parsed_6otb 1
3 1 1 . . . . . . . . . 4 CYSS H parsed_6otb 1
3 1 2 . . . . . . . . . 12 TYR QB parsed_6otb 1
4 1 1 . . . . . . . . . 4 CYSS H parsed_6otb 1
4 1 2 . . . . . . . . . 4 CYSS HB2 parsed_6otb 1
5 1 1 . . . . . . . . . 4 CYSS H parsed_6otb 1
5 1 2 . . . . . . . . . 5 ASN HB3 parsed_6otb 1
6 1 1 . . . . . . . . . 3 CYSS HB3 parsed_6otb 1
6 1 2 . . . . . . . . . 4 CYSS H parsed_6otb 1
7 1 1 . . . . . . . . . 3 CYSS HA parsed_6otb 1
7 1 2 . . . . . . . . . 4 CYSS H parsed_6otb 1
8 1 1 . . . . . . . . . 4 CYSS H parsed_6otb 1
8 1 2 . . . . . . . . . 5 ASN HD21 parsed_6otb 1
9 1 1 . . . . . . . . . 4 CYSS H parsed_6otb 1
9 1 2 . . . . . . . . . 5 ASN HD22 parsed_6otb 1
10 1 1 . . . . . . . . . 2 CYSS H parsed_6otb 1
10 1 2 . . . . . . . . . 2 CYSS HB2 parsed_6otb 1
11 1 1 . . . . . . . . . 2 CYSS H parsed_6otb 1
11 1 2 . . . . . . . . . 2 CYSS HB3 parsed_6otb 1
12 1 1 . . . . . . . . . 14 CYSS H parsed_6otb 1
12 1 2 . . . . . . . . . 14 CYSS HB3 parsed_6otb 1
13 1 1 . . . . . . . . . 14 CYSS HA parsed_6otb 1
13 1 2 . . . . . . . . . 15 GLY H parsed_6otb 1
14 1 1 . . . . . . . . . 6 PRO HD2 parsed_6otb 1
14 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
15 1 1 . . . . . . . . . 6 PRO HD3 parsed_6otb 1
15 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
16 1 1 . . . . . . . . . 7 ALA H parsed_6otb 1
16 1 2 . . . . . . . . . 7 ALA QB parsed_6otb 1
17 1 1 . . . . . . . . . 6 PRO HB2 parsed_6otb 1
17 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
18 1 1 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
18 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
19 1 1 . . . . . . . . . 5 ASN HB3 parsed_6otb 1
19 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
20 1 1 . . . . . . . . . 16 THR QG2 parsed_6otb 1
20 1 2 . . . . . . . . . 17 SER H parsed_6otb 1
21 1 1 . . . . . . . . . 16 THR HB parsed_6otb 1
21 1 2 . . . . . . . . . 17 SER H parsed_6otb 1
22 1 1 . . . . . . . . . 15 GLY QA parsed_6otb 1
22 1 2 . . . . . . . . . 17 SER H parsed_6otb 1
23 1 1 . . . . . . . . . 12 TYR HA parsed_6otb 1
23 1 2 . . . . . . . . . 13 GLY H parsed_6otb 1
24 1 1 . . . . . . . . . 12 TYR H parsed_6otb 1
24 1 2 . . . . . . . . . 13 GLY H parsed_6otb 1
25 1 1 . . . . . . . . . 16 THR H parsed_6otb 1
25 1 2 . . . . . . . . . 18 CYSS H parsed_6otb 1
26 1 1 . . . . . . . . . 7 ALA H parsed_6otb 1
26 1 2 . . . . . . . . . 8 CYSS H parsed_6otb 1
27 1 1 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
27 1 2 . . . . . . . . . 5 ASN HD21 parsed_6otb 1
28 1 1 . . . . . . . . . 5 ASN HB3 parsed_6otb 1
28 1 2 . . . . . . . . . 5 ASN HD21 parsed_6otb 1
29 1 1 . . . . . . . . . 8 CYSS HB3 parsed_6otb 1
29 1 2 . . . . . . . . . 9 GLY H parsed_6otb 1
30 1 1 . . . . . . . . . 9 GLY H parsed_6otb 1
30 1 2 . . . . . . . . . 12 TYR QB parsed_6otb 1
31 1 1 . . . . . . . . . 12 TYR H parsed_6otb 1
31 1 2 . . . . . . . . . 12 TYR QB parsed_6otb 1
32 1 1 . . . . . . . . . 18 CYSS H parsed_6otb 1
32 1 2 . . . . . . . . . 18 CYSS HB3 parsed_6otb 1
33 1 1 . . . . . . . . . 18 CYSS H parsed_6otb 1
33 1 2 . . . . . . . . . 18 CYSS HB2 parsed_6otb 1
34 1 1 . . . . . . . . . 8 CYSS H parsed_6otb 1
34 1 2 . . . . . . . . . 8 CYSS HB2 parsed_6otb 1
35 1 1 . . . . . . . . . 19 SER H parsed_6otb 1
35 1 2 . . . . . . . . . 19 SER QB parsed_6otb 1
36 1 1 . . . . . . . . . 16 THR HB parsed_6otb 1
36 1 2 . . . . . . . . . 18 CYSS H parsed_6otb 1
37 1 1 . . . . . . . . . 15 GLY QA parsed_6otb 1
37 1 2 . . . . . . . . . 18 CYSS H parsed_6otb 1
38 1 1 . . . . . . . . . 8 CYSS HB2 parsed_6otb 1
38 1 2 . . . . . . . . . 9 GLY H parsed_6otb 1
39 1 1 . . . . . . . . . 5 ASN HD21 parsed_6otb 1
39 1 2 . . . . . . . . . 7 ALA QB parsed_6otb 1
40 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
40 1 2 . . . . . . . . . 5 ASN HD21 parsed_6otb 1
41 1 1 . . . . . . . . . 11 ASN HD21 parsed_6otb 1
41 1 2 . . . . . . . . . 12 TYR H parsed_6otb 1
42 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
42 1 2 . . . . . . . . . 5 ASN HD21 parsed_6otb 1
43 1 1 . . . . . . . . . 11 ASN HA parsed_6otb 1
43 1 2 . . . . . . . . . 11 ASN HD21 parsed_6otb 1
44 1 1 . . . . . . . . . 5 ASN HB3 parsed_6otb 1
44 1 2 . . . . . . . . . 5 ASN HD22 parsed_6otb 1
45 1 1 . . . . . . . . . 4 CYSS HB2 parsed_6otb 1
45 1 2 . . . . . . . . . 5 ASN H parsed_6otb 1
46 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
46 1 2 . . . . . . . . . 5 ASN HB3 parsed_6otb 1
47 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
47 1 2 . . . . . . . . . 12 TYR QB parsed_6otb 1
48 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
48 1 2 . . . . . . . . . 8 CYSS HB2 parsed_6otb 1
49 1 1 . . . . . . . . . 4 CYSS HB3 parsed_6otb 1
49 1 2 . . . . . . . . . 5 ASN H parsed_6otb 1
50 1 1 . . . . . . . . . 4 CYSS H parsed_6otb 1
50 1 2 . . . . . . . . . 5 ASN H parsed_6otb 1
51 1 1 . . . . . . . . . 12 TYR H parsed_6otb 1
51 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
52 1 1 . . . . . . . . . 12 TYR QD parsed_6otb 1
52 1 2 . . . . . . . . . 13 GLY H parsed_6otb 1
53 1 1 . . . . . . . . . 11 ASN HD21 parsed_6otb 1
53 1 2 . . . . . . . . . 13 GLY H parsed_6otb 1
54 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
54 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
55 1 1 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
55 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
56 1 1 . . . . . . . . . 8 CYSS HB3 parsed_6otb 1
56 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
57 1 1 . . . . . . . . . 3 CYSS HB3 parsed_6otb 1
57 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
58 1 1 . . . . . . . . . 12 TYR QD parsed_6otb 1
58 1 2 . . . . . . . . . 13 GLY HA3 parsed_6otb 1
59 1 1 . . . . . . . . . 12 TYR QD parsed_6otb 1
59 1 2 . . . . . . . . . 13 GLY HA2 parsed_6otb 1
60 1 1 . . . . . . . . . 4 CYSS HA parsed_6otb 1
60 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
61 1 1 . . . . . . . . . 12 TYR HA parsed_6otb 1
61 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
62 1 1 . . . . . . . . . 6 PRO HA parsed_6otb 1
62 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
63 1 1 . . . . . . . . . 12 TYR QE parsed_6otb 1
63 1 2 . . . . . . . . . 14 CYSS HB3 parsed_6otb 1
64 1 1 . . . . . . . . . 12 TYR QE parsed_6otb 1
64 1 2 . . . . . . . . . 14 CYSS HB2 parsed_6otb 1
65 1 1 . . . . . . . . . 6 PRO HD2 parsed_6otb 1
65 1 2 . . . . . . . . . 12 TYR QE parsed_6otb 1
66 1 1 . . . . . . . . . 6 PRO HD3 parsed_6otb 1
66 1 2 . . . . . . . . . 12 TYR QE parsed_6otb 1
67 1 1 . . . . . . . . . 6 PRO HA parsed_6otb 1
67 1 2 . . . . . . . . . 12 TYR QE parsed_6otb 1
68 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
68 1 2 . . . . . . . . . 12 TYR QE parsed_6otb 1
69 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
69 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
70 1 1 . . . . . . . . . 12 TYR QE parsed_6otb 1
70 1 2 . . . . . . . . . 14 CYSS H parsed_6otb 1
71 1 1 . . . . . . . . . 12 TYR QD parsed_6otb 1
71 1 2 . . . . . . . . . 14 CYSS H parsed_6otb 1
72 1 1 . . . . . . . . . 5 ASN HD22 parsed_6otb 1
72 1 2 . . . . . . . . . 7 ALA QB parsed_6otb 1
73 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
73 1 2 . . . . . . . . . 6 PRO HG3 parsed_6otb 1
74 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
74 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
75 1 1 . . . . . . . . . 8 CYSS HB2 parsed_6otb 1
75 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
76 1 1 . . . . . . . . . 6 PRO HB2 parsed_6otb 1
76 1 2 . . . . . . . . . 7 ALA HA parsed_6otb 1
77 1 1 . . . . . . . . . 6 PRO HB3 parsed_6otb 1
77 1 2 . . . . . . . . . 7 ALA HA parsed_6otb 1
78 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
78 1 2 . . . . . . . . . 6 PRO HD2 parsed_6otb 1
79 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
79 1 2 . . . . . . . . . 6 PRO HD3 parsed_6otb 1
80 1 1 . . . . . . . . . 16 THR HA parsed_6otb 1
80 1 2 . . . . . . . . . 18 CYSS H parsed_6otb 1
81 1 1 . . . . . . . . . 7 ALA HA parsed_6otb 1
81 1 2 . . . . . . . . . 9 GLY H parsed_6otb 1
82 1 1 . . . . . . . . . 6 PRO HA parsed_6otb 1
82 1 2 . . . . . . . . . 8 CYSS H parsed_6otb 1
83 1 1 . . . . . . . . . 16 THR H parsed_6otb 1
83 1 2 . . . . . . . . . 16 THR HB parsed_6otb 1
84 1 1 . . . . . . . . . 15 GLY H parsed_6otb 1
84 1 2 . . . . . . . . . 15 GLY QA parsed_6otb 1
85 1 1 . . . . . . . . . 15 GLY QA parsed_6otb 1
85 1 2 . . . . . . . . . 16 THR H parsed_6otb 1
86 1 1 . . . . . . . . . 1 GLY QA parsed_6otb 1
86 1 2 . . . . . . . . . 2 CYSS H parsed_6otb 1
87 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
87 1 2 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
88 1 1 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
88 1 2 . . . . . . . . . 8 CYSS H parsed_6otb 1
89 1 1 . . . . . . . . . 11 ASN HB2 parsed_6otb 1
89 1 2 . . . . . . . . . 12 TYR H parsed_6otb 1
90 1 1 . . . . . . . . . 8 CYSS H parsed_6otb 1
90 1 2 . . . . . . . . . 8 CYSS HB3 parsed_6otb 1
91 1 1 . . . . . . . . . 11 ASN HB3 parsed_6otb 1
91 1 2 . . . . . . . . . 12 TYR H parsed_6otb 1
92 1 1 . . . . . . . . . 12 TYR QB parsed_6otb 1
92 1 2 . . . . . . . . . 13 GLY H parsed_6otb 1
93 1 1 . . . . . . . . . 11 ASN H parsed_6otb 1
93 1 2 . . . . . . . . . 11 ASN HB2 parsed_6otb 1
94 1 1 . . . . . . . . . 11 ASN H parsed_6otb 1
94 1 2 . . . . . . . . . 11 ASN HB3 parsed_6otb 1
95 1 1 . . . . . . . . . 2 CYSS HB2 parsed_6otb 1
95 1 2 . . . . . . . . . 3 CYSS H parsed_6otb 1
96 1 1 . . . . . . . . . 14 CYSS H parsed_6otb 1
96 1 2 . . . . . . . . . 14 CYSS HB2 parsed_6otb 1
97 1 1 . . . . . . . . . 2 CYSS HB3 parsed_6otb 1
97 1 2 . . . . . . . . . 3 CYSS H parsed_6otb 1
98 1 1 . . . . . . . . . 12 TYR QB parsed_6otb 1
98 1 2 . . . . . . . . . 14 CYSS H parsed_6otb 1
99 1 1 . . . . . . . . . 12 TYR HA parsed_6otb 1
99 1 2 . . . . . . . . . 12 TYR QB parsed_6otb 1
100 1 1 . . . . . . . . . 4 CYSS HA parsed_6otb 1
100 1 2 . . . . . . . . . 12 TYR QB parsed_6otb 1
101 1 1 . . . . . . . . . 3 CYSS HB3 parsed_6otb 1
101 1 2 . . . . . . . . . 12 TYR HA parsed_6otb 1
102 1 1 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
102 1 2 . . . . . . . . . 6 PRO HD3 parsed_6otb 1
103 1 1 . . . . . . . . . 8 CYSS HB2 parsed_6otb 1
103 1 2 . . . . . . . . . 12 TYR QB parsed_6otb 1
104 1 1 . . . . . . . . . 5 ASN HB3 parsed_6otb 1
104 1 2 . . . . . . . . . 6 PRO HD3 parsed_6otb 1
105 1 1 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
105 1 2 . . . . . . . . . 6 PRO HD2 parsed_6otb 1
106 1 1 . . . . . . . . . 5 ASN HB3 parsed_6otb 1
106 1 2 . . . . . . . . . 6 PRO HD2 parsed_6otb 1
107 1 1 . . . . . . . . . 12 TYR QB parsed_6otb 1
107 1 2 . . . . . . . . . 13 GLY HA3 parsed_6otb 1
108 1 1 . . . . . . . . . 1 GLY QA parsed_6otb 1
108 1 2 . . . . . . . . . 2 CYSS HB2 parsed_6otb 1
109 1 1 . . . . . . . . . 12 TYR QB parsed_6otb 1
109 1 2 . . . . . . . . . 13 GLY HA2 parsed_6otb 1
110 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
110 1 2 . . . . . . . . . 6 PRO HG2 parsed_6otb 1
111 1 1 . . . . . . . . . 16 THR H parsed_6otb 1
111 1 2 . . . . . . . . . 16 THR QG2 parsed_6otb 1
112 1 1 . . . . . . . . . 16 THR HA parsed_6otb 1
112 1 2 . . . . . . . . . 16 THR QG2 parsed_6otb 1
113 1 1 . . . . . . . . . 7 ALA H parsed_6otb 1
113 1 2 . . . . . . . . . 9 GLY H parsed_6otb 1
114 1 1 . . . . . . . . . 7 ALA QB parsed_6otb 1
114 1 2 . . . . . . . . . 8 CYSS H parsed_6otb 1
115 1 1 . . . . . . . . . 3 CYSS HB3 parsed_6otb 1
115 1 2 . . . . . . . . . 8 CYSS H parsed_6otb 1
116 1 1 . . . . . . . . . 8 CYSS H parsed_6otb 1
116 1 2 . . . . . . . . . 9 GLY H parsed_6otb 1
117 1 1 . . . . . . . . . 11 ASN HD21 parsed_6otb 1
117 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
118 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
118 1 2 . . . . . . . . . 5 ASN HD22 parsed_6otb 1
119 1 1 . . . . . . . . . 11 ASN HD21 parsed_6otb 1
119 1 2 . . . . . . . . . 12 TYR QE parsed_6otb 1
120 1 1 . . . . . . . . . 17 SER H parsed_6otb 1
120 1 2 . . . . . . . . . 18 CYSS H parsed_6otb 1
121 1 1 . . . . . . . . . 5 ASN H parsed_6otb 1
121 1 2 . . . . . . . . . 6 PRO QD parsed_6otb 1
122 1 1 . . . . . . . . . 5 ASN HA parsed_6otb 1
122 1 2 . . . . . . . . . 6 PRO QD parsed_6otb 1
123 1 1 . . . . . . . . . 5 ASN HB2 parsed_6otb 1
123 1 2 . . . . . . . . . 6 PRO QD parsed_6otb 1
124 1 1 . . . . . . . . . 6 PRO QG parsed_6otb 1
124 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
125 1 1 . . . . . . . . . 6 PRO QG parsed_6otb 1
125 1 2 . . . . . . . . . 12 TYR QD parsed_6otb 1
126 1 1 . . . . . . . . . 6 PRO QG parsed_6otb 1
126 1 2 . . . . . . . . . 12 TYR QE parsed_6otb 1
127 1 1 . . . . . . . . . 6 PRO QD parsed_6otb 1
127 1 2 . . . . . . . . . 7 ALA H parsed_6otb 1
128 1 1 . . . . . . . . . 9 GLY QA parsed_6otb 1
128 1 2 . . . . . . . . . 10 PRO QG parsed_6otb 1
129 1 1 . . . . . . . . . 10 PRO QG parsed_6otb 1
129 1 2 . . . . . . . . . 11 ASN H parsed_6otb 1
130 1 1 . . . . . . . . . 11 ASN H parsed_6otb 1
130 1 2 . . . . . . . . . 11 ASN QB parsed_6otb 1
131 1 1 . . . . . . . . . 11 ASN QB parsed_6otb 1
131 1 2 . . . . . . . . . 12 TYR H parsed_6otb 1
132 1 1 . . . . . . . . . 11 ASN HD21 parsed_6otb 1
132 1 2 . . . . . . . . . 13 GLY QA parsed_6otb 1
133 1 1 . . . . . . . . . 12 TYR H parsed_6otb 1
133 1 2 . . . . . . . . . 13 GLY QA parsed_6otb 1
134 1 1 . . . . . . . . . 12 TYR QB parsed_6otb 1
134 1 2 . . . . . . . . . 13 GLY QA parsed_6otb 1
135 1 1 . . . . . . . . . 12 TYR QD parsed_6otb 1
135 1 2 . . . . . . . . . 13 GLY QA parsed_6otb 1
136 1 1 . . . . . . . . . 12 TYR QD parsed_6otb 1
136 1 2 . . . . . . . . . 14 CYSS QB parsed_6otb 1
137 1 1 . . . . . . . . . 12 TYR QE parsed_6otb 1
137 1 2 . . . . . . . . . 14 CYSS QB parsed_6otb 1
138 1 1 . . . . . . . . . 13 GLY QA parsed_6otb 1
138 1 2 . . . . . . . . . 14 CYSS H parsed_6otb 1
139 1 1 . . . . . . . . . 15 GLY H parsed_6otb 1
139 1 2 . . . . . . . . . 18 CYSS QB parsed_6otb 1
140 1 1 . . . . . . . . . 17 SER H parsed_6otb 1
140 1 2 . . . . . . . . . 17 SER QB parsed_6otb 1
141 1 1 . . . . . . . . . 17 SER QB parsed_6otb 1
141 1 2 . . . . . . . . . 18 CYSS H parsed_6otb 1
142 1 1 . . . . . . . . . 18 CYSS H parsed_6otb 1
142 1 2 . . . . . . . . . 18 CYSS QB parsed_6otb 1
143 1 1 . . . . . . . . . 18 CYSS QB parsed_6otb 1
143 1 2 . . . . . . . . . 19 SER H parsed_6otb 1
144 1 1 . . . . . . . . . 18 CYSS QB parsed_6otb 1
144 1 2 . . . . . . . . . 19 SER QB parsed_6otb 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.84 parsed_6otb 1
2 1 . . . . . . . 4.96 parsed_6otb 1
3 1 . . . . . . . 4.76 parsed_6otb 1
4 1 . . . . . . . 3.20 parsed_6otb 1
5 1 . . . . . . . 4.70 parsed_6otb 1
6 1 . . . . . . . 4.51 parsed_6otb 1
7 1 . . . . . . . 2.70 parsed_6otb 1
8 1 . . . . . . . 4.68 parsed_6otb 1
9 1 . . . . . . . 5.02 parsed_6otb 1
10 1 . . . . . . . 3.88 parsed_6otb 1
11 1 . . . . . . . 3.73 parsed_6otb 1
12 1 . . . . . . . 3.75 parsed_6otb 1
13 1 . . . . . . . 3.54 parsed_6otb 1
14 1 . . . . . . . 4.37 parsed_6otb 1
15 1 . . . . . . . 4.37 parsed_6otb 1
16 1 . . . . . . . 3.00 parsed_6otb 1
17 1 . . . . . . . 3.95 parsed_6otb 1
18 1 . . . . . . . 4.23 parsed_6otb 1
19 1 . . . . . . . 4.45 parsed_6otb 1
20 1 . . . . . . . 4.14 parsed_6otb 1
21 1 . . . . . . . 3.53 parsed_6otb 1
22 1 . . . . . . . 3.98 parsed_6otb 1
23 1 . . . . . . . 3.56 parsed_6otb 1
24 1 . . . . . . . 3.13 parsed_6otb 1
25 1 . . . . . . . 4.14 parsed_6otb 1
26 1 . . . . . . . 3.37 parsed_6otb 1
27 1 . . . . . . . 3.54 parsed_6otb 1
28 1 . . . . . . . 3.37 parsed_6otb 1
29 1 . . . . . . . 4.77 parsed_6otb 1
30 1 . . . . . . . 4.86 parsed_6otb 1
31 1 . . . . . . . 3.44 parsed_6otb 1
32 1 . . . . . . . 3.69 parsed_6otb 1
33 1 . . . . . . . 3.69 parsed_6otb 1
34 1 . . . . . . . 3.55 parsed_6otb 1
35 1 . . . . . . . 3.89 parsed_6otb 1
36 1 . . . . . . . 5.02 parsed_6otb 1
37 1 . . . . . . . 4.71 parsed_6otb 1
38 1 . . . . . . . 4.39 parsed_6otb 1
39 1 . . . . . . . 4.92 parsed_6otb 1
40 1 . . . . . . . 4.65 parsed_6otb 1
41 1 . . . . . . . 4.51 parsed_6otb 1
42 1 . . . . . . . 4.30 parsed_6otb 1
43 1 . . . . . . . 4.49 parsed_6otb 1
44 1 . . . . . . . 4.00 parsed_6otb 1
45 1 . . . . . . . 3.77 parsed_6otb 1
46 1 . . . . . . . 3.53 parsed_6otb 1
47 1 . . . . . . . 5.12 parsed_6otb 1
48 1 . . . . . . . 4.32 parsed_6otb 1
49 1 . . . . . . . 4.55 parsed_6otb 1
50 1 . . . . . . . 3.19 parsed_6otb 1
51 1 . . . . . . . 4.12 parsed_6otb 1
52 1 . . . . . . . 4.20 parsed_6otb 1
53 1 . . . . . . . 5.12 parsed_6otb 1
54 1 . . . . . . . 5.50 parsed_6otb 1
55 1 . . . . . . . 5.50 parsed_6otb 1
56 1 . . . . . . . 4.28 parsed_6otb 1
57 1 . . . . . . . 5.27 parsed_6otb 1
58 1 . . . . . . . 4.25 parsed_6otb 1
59 1 . . . . . . . 4.25 parsed_6otb 1
60 1 . . . . . . . 3.99 parsed_6otb 1
61 1 . . . . . . . 3.81 parsed_6otb 1
62 1 . . . . . . . 4.26 parsed_6otb 1
63 1 . . . . . . . 4.83 parsed_6otb 1
64 1 . . . . . . . 4.83 parsed_6otb 1
65 1 . . . . . . . 4.76 parsed_6otb 1
66 1 . . . . . . . 4.76 parsed_6otb 1
67 1 . . . . . . . 4.67 parsed_6otb 1
68 1 . . . . . . . 4.67 parsed_6otb 1
69 1 . . . . . . . 5.18 parsed_6otb 1
70 1 . . . . . . . 4.79 parsed_6otb 1
71 1 . . . . . . . 5.04 parsed_6otb 1
72 1 . . . . . . . 4.56 parsed_6otb 1
73 1 . . . . . . . 4.96 parsed_6otb 1
74 1 . . . . . . . 5.20 parsed_6otb 1
75 1 . . . . . . . 5.09 parsed_6otb 1
76 1 . . . . . . . 4.94 parsed_6otb 1
77 1 . . . . . . . 5.50 parsed_6otb 1
78 1 . . . . . . . 3.20 parsed_6otb 1
79 1 . . . . . . . 3.20 parsed_6otb 1
80 1 . . . . . . . 5.04 parsed_6otb 1
81 1 . . . . . . . 4.59 parsed_6otb 1
82 1 . . . . . . . 4.61 parsed_6otb 1
83 1 . . . . . . . 3.49 parsed_6otb 1
84 1 . . . . . . . 2.83 parsed_6otb 1
85 1 . . . . . . . 2.77 parsed_6otb 1
86 1 . . . . . . . 2.79 parsed_6otb 1
87 1 . . . . . . . 3.84 parsed_6otb 1
88 1 . . . . . . . 4.65 parsed_6otb 1
89 1 . . . . . . . 5.09 parsed_6otb 1
90 1 . . . . . . . 3.93 parsed_6otb 1
91 1 . . . . . . . 5.09 parsed_6otb 1
92 1 . . . . . . . 3.72 parsed_6otb 1
93 1 . . . . . . . 4.19 parsed_6otb 1
94 1 . . . . . . . 4.19 parsed_6otb 1
95 1 . . . . . . . 4.35 parsed_6otb 1
96 1 . . . . . . . 3.75 parsed_6otb 1
97 1 . . . . . . . 4.20 parsed_6otb 1
98 1 . . . . . . . 4.53 parsed_6otb 1
99 1 . . . . . . . 2.98 parsed_6otb 1
100 1 . . . . . . . 3.89 parsed_6otb 1
101 1 . . . . . . . 4.78 parsed_6otb 1
102 1 . . . . . . . 3.63 parsed_6otb 1
103 1 . . . . . . . 4.32 parsed_6otb 1
104 1 . . . . . . . 4.24 parsed_6otb 1
105 1 . . . . . . . 3.63 parsed_6otb 1
106 1 . . . . . . . 4.24 parsed_6otb 1
107 1 . . . . . . . 5.27 parsed_6otb 1
108 1 . . . . . . . 4.56 parsed_6otb 1
109 1 . . . . . . . 5.27 parsed_6otb 1
110 1 . . . . . . . 4.96 parsed_6otb 1
111 1 . . . . . . . 3.79 parsed_6otb 1
112 1 . . . . . . . 2.88 parsed_6otb 1
113 1 . . . . . . . 4.70 parsed_6otb 1
114 1 . . . . . . . 4.03 parsed_6otb 1
115 1 . . . . . . . 5.50 parsed_6otb 1
116 1 . . . . . . . 3.37 parsed_6otb 1
117 1 . . . . . . . 4.22 parsed_6otb 1
118 1 . . . . . . . 3.47 parsed_6otb 1
119 1 . . . . . . . 4.81 parsed_6otb 1
120 1 . . . . . . . 3.15 parsed_6otb 1
121 1 . . . . . . . 4.77 parsed_6otb 1
122 1 . . . . . . . 2.66 parsed_6otb 1
123 1 . . . . . . . 3.18 parsed_6otb 1
124 1 . . . . . . . 4.48 parsed_6otb 1
125 1 . . . . . . . 5.35 parsed_6otb 1
126 1 . . . . . . . 5.01 parsed_6otb 1
127 1 . . . . . . . 3.69 parsed_6otb 1
128 1 . . . . . . . 4.28 parsed_6otb 1
129 1 . . . . . . . 4.40 parsed_6otb 1
130 1 . . . . . . . 3.56 parsed_6otb 1
131 1 . . . . . . . 4.32 parsed_6otb 1
132 1 . . . . . . . 5.00 parsed_6otb 1
133 1 . . . . . . . 4.71 parsed_6otb 1
134 1 . . . . . . . 4.45 parsed_6otb 1
135 1 . . . . . . . 3.65 parsed_6otb 1
136 1 . . . . . . . 4.26 parsed_6otb 1
137 1 . . . . . . . 4.25 parsed_6otb 1
138 1 . . . . . . . 3.02 parsed_6otb 1
139 1 . . . . . . . 4.35 parsed_6otb 1
140 1 . . . . . . . 3.68 parsed_6otb 1
141 1 . . . . . . . 4.20 parsed_6otb 1
142 1 . . . . . . . 3.16 parsed_6otb 1
143 1 . . . . . . . 4.02 parsed_6otb 1
144 1 . . . . . . . 5.34 parsed_6otb 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 "Restraints file 1: pw4-final.upl" 1 1 1 34 parsed_6otb 1
2 "peak 3 #SUP 1.00" 2 49 2 65 parsed_6otb 1
3 "peak 4 #SUP 0.98 #QF 0.98" 3 49 3 74 parsed_6otb 1
4 "peak 6 #SUP 0.72 #QF 0.72" 4 49 4 74 parsed_6otb 1
5 "peak 7 #SUP 0.87 #QF 0.87" 5 49 5 74 parsed_6otb 1
6 "peak 8 #SUP 0.96 #QF 0.96" 6 49 6 74 parsed_6otb 1
7 "peak 9 #SUP 0.99 #QF 0.99" 7 49 7 74 parsed_6otb 1
8 "peak 11 #SUP 0.35 #QF 0.35" 8 49 8 75 parsed_6otb 1
9 "peak 12 #SUP 0.97 #QF 0.97" 9 49 9 75 parsed_6otb 1
10 "peak 14 #SUP 0.99 #QF 0.99" 10 49 10 75 parsed_6otb 1
11 "peak 17 #SUP 0.99 #QF 0.99" 11 49 11 75 parsed_6otb 1
12 "peak 18 #SUP 0.97 #QF 0.97" 12 49 12 75 parsed_6otb 1
13 "peak 19 #SUP 0.99 #QF 0.99" 13 49 13 75 parsed_6otb 1
14 "peak 26 #SUP 0.95 #QF 0.80" 14 49 14 75 parsed_6otb 1
15 "peak 27 #SUP 0.96 #QF 0.96" 15 49 15 75 parsed_6otb 1
16 "peak 28 #SUP 0.97 #QF 0.97" 16 49 16 75 parsed_6otb 1
17 "peak 34 #SUP 1.00" 17 49 17 66 parsed_6otb 1
18 "peak 37 #SUP 1.00" 18 49 18 66 parsed_6otb 1
19 "peak 38 #SUP 1.00" 19 49 19 66 parsed_6otb 1
20 "peak 39 #SUP 1.00" 20 49 20 66 parsed_6otb 1
21 "peak 40 #SUP 1.00" 21 49 21 66 parsed_6otb 1
22 "peak 47 #SUP 0.78 #QF 0.78" 22 49 22 75 parsed_6otb 1
23 "peak 48 #SUP 0.48 #QF 0.48" 23 49 23 75 parsed_6otb 1
24 "peak 49 #SUP 0.99 #QF 0.99" 24 49 24 75 parsed_6otb 1
25 "peak 51 #SUP 0.99 #QF 0.21" 25 49 25 75 parsed_6otb 1
26 "peak 52 #SUP 0.73 #QF 0.73" 26 49 26 75 parsed_6otb 1
27 "peak 53 #SUP 0.92 #QF 0.92" 27 49 27 75 parsed_6otb 1
28 "peak 56 #SUP 0.99 #QF 0.99" 28 49 28 75 parsed_6otb 1
29 "peak 57 #SUP 0.94 #QF 0.94" 29 49 29 75 parsed_6otb 1
30 "peak 58 #SUP 0.99 #QF 0.99" 30 49 30 75 parsed_6otb 1
31 "peak 59 #SUP 0.61 #QF 0.61" 31 49 31 75 parsed_6otb 1
32 "peak 64 #SUP 0.82 #QF 0.67" 32 49 32 75 parsed_6otb 1
33 "peak 64 #SUP 0.82 #QF 0.67" 33 49 33 75 parsed_6otb 1
34 "peak 65 #SUP 0.96 #QF 0.96" 34 49 34 75 parsed_6otb 1
35 "peak 66 #SUP 0.97 #QF 0.97" 35 49 35 75 parsed_6otb 1
36 "peak 68 #SUP 0.98 #QF 0.26" 36 49 36 75 parsed_6otb 1
37 "peak 71 #SUP 0.97 #QF 0.97" 37 49 37 75 parsed_6otb 1
38 "peak 72 #SUP 0.95 #QF 0.95" 38 49 38 75 parsed_6otb 1
39 "peak 84 #SUP 1.00" 39 49 39 66 parsed_6otb 1
40 "peak 86 #SUP 0.89 #QF 0.89" 40 49 40 75 parsed_6otb 1
41 "peak 87 #SUP 0.99 #QF 0.99" 41 49 41 75 parsed_6otb 1
42 "peak 89 #SUP 0.80 #QF 0.80" 42 49 42 75 parsed_6otb 1
43 "peak 91 #SUP 0.98 #QF 0.98" 43 49 43 75 parsed_6otb 1
44 "peak 93 #SUP 0.95 #QF 0.95" 44 49 44 75 parsed_6otb 1
45 "peak 95 #SUP 0.99 #QF 0.99" 45 49 45 75 parsed_6otb 1
46 "peak 97 #SUP 0.99 #QF 0.43" 46 49 46 75 parsed_6otb 1
47 "peak 98 #SUP 0.99 #QF 0.99" 47 49 47 75 parsed_6otb 1
48 "peak 100 #SUP 0.98 #QF 0.93" 48 49 48 76 parsed_6otb 1
49 "peak 101 #SUP 0.47 #QF 0.47" 49 49 49 76 parsed_6otb 1
50 "peak 102 #SUP 1.00" 50 49 50 67 parsed_6otb 1
51 "peak 107 #SUP 0.98 #QF 0.98" 51 49 51 76 parsed_6otb 1
52 "peak 108 #SUP 0.96 #QF 0.96" 52 49 52 76 parsed_6otb 1
53 "peak 109 #SUP 0.99 #QF 0.99" 53 49 53 76 parsed_6otb 1
54 "peak 114 #SUP 1.00 #QF 0.96" 54 49 54 76 parsed_6otb 1
55 "peak 115 #SUP 0.98 #QF 0.98" 55 49 55 76 parsed_6otb 1
56 "peak 116 #SUP 0.39 #QF 0.39" 56 49 56 76 parsed_6otb 1
57 "peak 117 #SUP 0.83 #QF 0.83" 57 49 57 76 parsed_6otb 1
58 "peak 118 #SUP 0.62 #QF 0.35" 58 49 58 76 parsed_6otb 1
59 "peak 121 #SUP 0.99 #QF 0.99" 59 49 59 76 parsed_6otb 1
60 "peak 122 #SUP 0.98 #QF 0.98" 60 49 60 76 parsed_6otb 1
61 "peak 124 #SUP 0.44 #QF 0.44" 61 49 61 76 parsed_6otb 1
62 "peak 125 #SUP 0.99 #QF 0.99" 62 49 62 76 parsed_6otb 1
63 "peak 126 #SUP 0.96 #QF 0.96" 63 49 63 76 parsed_6otb 1
64 "peak 127 #SUP 0.69 #QF 0.69" 64 49 64 76 parsed_6otb 1
65 "peak 129 #SUP 0.97 #QF 0.97" 65 49 65 76 parsed_6otb 1
66 "peak 130 #SUP 0.54 #QF 0.54" 66 49 66 76 parsed_6otb 1
67 "peak 131 #SUP 0.99 #QF 0.86" 67 49 67 76 parsed_6otb 1
68 "peak 132 #SUP 0.97 #QF 0.97" 68 49 68 76 parsed_6otb 1
69 "peak 134 #SUP 0.97 #QF 0.97" 69 49 69 76 parsed_6otb 1
70 "peak 135 #SUP 0.98 #QF 0.98" 70 49 70 76 parsed_6otb 1
71 "peak 140 #SUP 0.96 #QF 0.96" 71 49 71 76 parsed_6otb 1
72 "peak 141 #SUP 0.99 #QF 0.99" 72 49 72 76 parsed_6otb 1
73 "peak 144 #SUP 0.72 #QF 0.72" 73 49 73 76 parsed_6otb 1
74 "peak 153 #SUP 0.91 #QF 0.91" 74 49 74 76 parsed_6otb 1
75 "peak 154 #SUP 0.99 #QF 0.99" 75 49 75 76 parsed_6otb 1
76 "peak 161 #SUP 0.99 #QF 0.99" 76 49 76 76 parsed_6otb 1
77 "peak 178 #SUP 0.99 #QF 0.99" 77 49 77 76 parsed_6otb 1
78 "peak 179 #SUP 0.85 #QF 0.85" 78 49 78 76 parsed_6otb 1
79 "peak 180 #SUP 0.99 #QF 0.99" 79 49 79 76 parsed_6otb 1
80 "peak 181 #SUP 0.99 #QF 0.99" 80 49 80 76 parsed_6otb 1
81 "peak 185 #SUP 1.00 #QF 0.99" 81 49 81 76 parsed_6otb 1
82 "peak 186 #SUP 0.99 #QF 0.99" 82 49 82 76 parsed_6otb 1
83 "peak 187 #SUP 0.88 #QF 0.88" 83 49 83 76 parsed_6otb 1
84 "peak 189 #SUP 0.98 #QF 0.98" 84 49 84 76 parsed_6otb 1
85 "peak 190 #SUP 0.99 #QF 0.99" 85 49 85 76 parsed_6otb 1
86 "peak 191 #SUP 0.99 #QF 0.99" 86 49 86 76 parsed_6otb 1
87 "peak 203 #SUP 1.00" 87 49 87 67 parsed_6otb 1
88 "peak 208 #SUP 0.92 #QF 0.92" 88 49 88 76 parsed_6otb 1
89 "peak 213 #SUP 0.92 #QF 0.79" 89 49 89 76 parsed_6otb 1
90 "peak 213 #SUP 0.92 #QF 0.79" 90 49 90 76 parsed_6otb 1
91 "peak 214 #SUP 0.98 #QF 0.98" 91 49 91 76 parsed_6otb 1
92 "peak 216 #SUP 0.91 #QF 0.91" 92 49 92 76 parsed_6otb 1
93 "peak 219 #SUP 0.95 #QF 0.95" 93 49 93 76 parsed_6otb 1
94 "peak 220 #SUP 0.78 #QF 0.78" 94 49 94 76 parsed_6otb 1
95 "peak 221 #SUP 0.82 #QF 0.82" 95 49 95 76 parsed_6otb 1
96 "peak 227 #SUP 0.87 #QF 0.87" 96 49 96 76 parsed_6otb 1
97 "peak 230 #SUP 0.82 #QF 0.82" 97 49 97 76 parsed_6otb 1
98 "peak 231 #SUP 0.98 #QF 0.98" 98 49 98 76 parsed_6otb 1
99 "peak 232 #SUP 0.99 #QF 0.97" 99 49 99 76 parsed_6otb 1
100 "peak 247 #SUP 0.98 #QF 0.98" 100 49 100 76 parsed_6otb 1
101 "peak 248 #SUP 0.99 #QF 0.67" 101 49 101 76 parsed_6otb 1
102 "peak 253 #SUP 0.38 #QF 0.22" 102 49 102 76 parsed_6otb 1
103 "peak 254 #SUP 0.97 #QF 0.97" 103 49 103 76 parsed_6otb 1
104 "peak 257 #SUP 0.89 #QF 0.89" 104 49 104 76 parsed_6otb 1
105 "peak 268 #SUP 1.00" 105 49 105 67 parsed_6otb 1
106 "peak 269 #SUP 0.97 #QF 0.97" 106 49 106 76 parsed_6otb 1
107 "peak 270 #SUP 0.99 #QF 0.99" 107 49 107 76 parsed_6otb 1
108 "peak 271 #SUP 0.96 #QF 0.95" 108 49 108 76 parsed_6otb 1
109 "peak 272 #SUP 0.90 #QF 0.90" 109 49 109 76 parsed_6otb 1
110 "peak 273 #SUP 0.98 #QF 0.98" 110 49 110 76 parsed_6otb 1
111 "peak 297 #SUP 0.96 #QF 0.96" 111 49 111 76 parsed_6otb 1
112 "peak 303 #SUP 0.98 #QF 0.98" 112 49 112 76 parsed_6otb 1
113 "peak 308 #SUP 0.91 #QF 0.91" 113 49 113 76 parsed_6otb 1
114 "peak 313 #SUP 0.95 #QF 0.95" 114 49 114 76 parsed_6otb 1
115 "peak 319 #SUP 1.00" 115 49 115 67 parsed_6otb 1
116 "peak 320 #SUP 1.00 #QF 0.35" 116 49 116 76 parsed_6otb 1
117 "peak 323 #SUP 0.88 #QF 0.88" 117 49 117 76 parsed_6otb 1
118 "peak 326 #SUP 0.77 #QF 0.77" 118 49 118 76 parsed_6otb 1
119 "peak 327 #SUP 0.90 #QF 0.90" 119 49 119 76 parsed_6otb 1
120 "peak 328 #SUP 0.78 #QF 0.78" 120 49 120 76 parsed_6otb 1
121 "peak 329 #SUP 0.95 #QF 0.95" 121 49 121 76 parsed_6otb 1
122 "peak 103" 122 49 122 57 parsed_6otb 1
123 "peak 180" 123 49 123 57 parsed_6otb 1
124 "peak 254" 124 49 124 57 parsed_6otb 1
125 "peak 36" 125 49 125 56 parsed_6otb 1
126 "peak 145" 126 49 126 57 parsed_6otb 1
127 "peak 146" 127 49 127 57 parsed_6otb 1
128 "peak 28" 128 49 128 56 parsed_6otb 1
129 "peak 295" 129 49 129 57 parsed_6otb 1
130 "peak 304" 130 49 130 57 parsed_6otb 1
131 "peak 221" 131 49 131 57 parsed_6otb 1
132 "peak 216" 132 49 132 57 parsed_6otb 1
133 "peak 104" 133 49 133 57 parsed_6otb 1
134 "peak 321" 134 49 134 57 parsed_6otb 1
135 "peak 273" 135 49 135 57 parsed_6otb 1
136 "peak 122" 136 49 136 57 parsed_6otb 1
137 "peak 120" 137 49 137 57 parsed_6otb 1
138 "peak 129" 138 49 138 57 parsed_6otb 1
139 "peak 198" 139 49 139 57 parsed_6otb 1
140 "peak 228" 140 49 140 57 parsed_6otb 1
141 "peak 201" 141 49 141 57 parsed_6otb 1
142 "peak 69" 142 49 142 56 parsed_6otb 1
143 "peak 65" 143 49 143 56 parsed_6otb 1
144 "peak 218" 144 49 144 57 parsed_6otb 1
145 "peak 271" 145 49 145 57 parsed_6otb 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6otb
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_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_6otb 2
2 1 . . . parsed_6otb 2
3 1 . . . parsed_6otb 2
4 1 . . . parsed_6otb 2
5 1 . . . parsed_6otb 2
6 1 . . . parsed_6otb 2
7 1 . . . parsed_6otb 2
8 1 . . . parsed_6otb 2
9 1 . . . parsed_6otb 2
10 1 . . . parsed_6otb 2
11 1 . . . parsed_6otb 2
12 1 . . . parsed_6otb 2
13 1 . . . parsed_6otb 2
14 1 . . . parsed_6otb 2
15 1 . . . parsed_6otb 2
16 1 . . . parsed_6otb 2
17 1 . . . parsed_6otb 2
18 1 . . . parsed_6otb 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 . . . . . . . . . 8 CYSS SG parsed_6otb 2
1 1 2 . . . . . . . . . 3 CYSS SG parsed_6otb 2
2 1 1 . . . . . . . . . 8 CYSS SG parsed_6otb 2
2 1 2 . . . . . . . . . 3 CYSS CB parsed_6otb 2
3 1 1 . . . . . . . . . 8 CYSS CB parsed_6otb 2
3 1 2 . . . . . . . . . 3 CYSS SG parsed_6otb 2
4 1 1 . . . . . . . . . 18 CYSS SG parsed_6otb 2
4 1 2 . . . . . . . . . 2 CYSS SG parsed_6otb 2
5 1 1 . . . . . . . . . 18 CYSS SG parsed_6otb 2
5 1 2 . . . . . . . . . 2 CYSS CB parsed_6otb 2
6 1 1 . . . . . . . . . 18 CYSS CB parsed_6otb 2
6 1 2 . . . . . . . . . 2 CYSS SG parsed_6otb 2
7 1 1 . . . . . . . . . 14 CYSS SG parsed_6otb 2
7 1 2 . . . . . . . . . 4 CYSS SG parsed_6otb 2
8 1 1 . . . . . . . . . 14 CYSS SG parsed_6otb 2
8 1 2 . . . . . . . . . 4 CYSS CB parsed_6otb 2
9 1 1 . . . . . . . . . 14 CYSS CB parsed_6otb 2
9 1 2 . . . . . . . . . 4 CYSS SG parsed_6otb 2
10 1 1 . . . . . . . . . 8 CYSS SG parsed_6otb 2
10 1 2 . . . . . . . . . 3 CYSS SG parsed_6otb 2
11 1 1 . . . . . . . . . 8 CYSS SG parsed_6otb 2
11 1 2 . . . . . . . . . 3 CYSS CB parsed_6otb 2
12 1 1 . . . . . . . . . 8 CYSS CB parsed_6otb 2
12 1 2 . . . . . . . . . 3 CYSS SG parsed_6otb 2
13 1 1 . . . . . . . . . 18 CYSS SG parsed_6otb 2
13 1 2 . . . . . . . . . 2 CYSS SG parsed_6otb 2
14 1 1 . . . . . . . . . 18 CYSS SG parsed_6otb 2
14 1 2 . . . . . . . . . 2 CYSS CB parsed_6otb 2
15 1 1 . . . . . . . . . 18 CYSS CB parsed_6otb 2
15 1 2 . . . . . . . . . 2 CYSS SG parsed_6otb 2
16 1 1 . . . . . . . . . 14 CYSS SG parsed_6otb 2
16 1 2 . . . . . . . . . 4 CYSS SG parsed_6otb 2
17 1 1 . . . . . . . . . 14 CYSS SG parsed_6otb 2
17 1 2 . . . . . . . . . 4 CYSS CB parsed_6otb 2
18 1 1 . . . . . . . . . 14 CYSS CB parsed_6otb 2
18 1 2 . . . . . . . . . 4 CYSS SG parsed_6otb 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 . . . . . . . 2.00 parsed_6otb 2
2 1 . . . . . . . 3.00 parsed_6otb 2
3 1 . . . . . . . 3.00 parsed_6otb 2
4 1 . . . . . . . 2.00 parsed_6otb 2
5 1 . . . . . . . 3.00 parsed_6otb 2
6 1 . . . . . . . 3.00 parsed_6otb 2
7 1 . . . . . . . 2.00 parsed_6otb 2
8 1 . . . . . . . 3.00 parsed_6otb 2
9 1 . . . . . . . 3.00 parsed_6otb 2
10 1 . . . . . . . 2.10 parsed_6otb 2
11 1 . . . . . . . 3.10 parsed_6otb 2
12 1 . . . . . . . 3.10 parsed_6otb 2
13 1 . . . . . . . 2.10 parsed_6otb 2
14 1 . . . . . . . 3.10 parsed_6otb 2
15 1 . . . . . . . 3.10 parsed_6otb 2
16 1 . . . . . . . 2.10 parsed_6otb 2
17 1 . . . . . . . 3.10 parsed_6otb 2
18 1 . . . . . . . 3.10 parsed_6otb 2
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 "Restraints file 2: pw4-ssbond.lol" 1 1 1 35 parsed_6otb 2
2 "Restraints file 3: pw4-ssbond.upl" 11 1 11 35 parsed_6otb 2
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6otb
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 7 ALA . . . . . . . . . . . . . parsed_6otb 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 7 ALA . . . . . . . . . . . . . parsed_6otb 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 7 ALA . . . . . . . . . . . . . parsed_6otb 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 7 ALA . . . . . . . . . . . . . parsed_6otb 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 7 ALA . . . . . . . . . . . . . parsed_6otb 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 7 ALA . . . . . . . . . . . . . parsed_6otb 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 75.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
68 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 185.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -255.0 -25.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 55.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
72 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
73 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
74 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
75 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 2 CYSS . . . . . . . . . . . . . parsed_6otb 1
76 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
77 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
78 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 3 CYSS . . . . . . . . . . . . . parsed_6otb 1
79 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
80 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
81 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 4 CYSS . . . . . . . . . . . . . parsed_6otb 1
82 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 5 ASN . . . . . . . . . . . . . parsed_6otb 1
83 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 5 ASN . . . . . . . . . . . . . parsed_6otb 1
84 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 5 ASN . . . . . . . . . . . . . parsed_6otb 1
85 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
86 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
87 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6otb 1
88 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
89 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
90 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 11 ASN . . . . . . . . . . . . . parsed_6otb 1
91 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
92 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
93 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 12 TYR . . . . . . . . . . . . . parsed_6otb 1
94 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
95 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
96 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 14 CYSS . . . . . . . . . . . . . parsed_6otb 1
97 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
98 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
99 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 16 THR . . . . . . . . . . . . . parsed_6otb 1
100 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
101 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
102 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 17 SER . . . . . . . . . . . . . parsed_6otb 1
103 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
104 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
105 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 18 CYSS . . . . . . . . . . . . . parsed_6otb 1
106 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
107 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -330.0 -30.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 1
108 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 19 SER . . . . . . . . . . . . . parsed_6otb 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 "Restraints file 4: pw4-final.aco" 1 1 1 34 parsed_6otb 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 type=2 2 43 2 49 parsed_6otb 1
2 type=2 3 43 3 49 parsed_6otb 1
3 "type=2 OR" 4 43 4 52 parsed_6otb 1
4 type=2 5 43 5 49 parsed_6otb 1
5 "type=2 OR" 6 43 6 52 parsed_6otb 1
6 type=2 7 43 7 49 parsed_6otb 1
7 type=2 8 43 8 49 parsed_6otb 1
8 type=2 9 43 9 49 parsed_6otb 1
9 "type=2 OR" 10 43 10 52 parsed_6otb 1
10 type=2 11 43 11 49 parsed_6otb 1
11 "type=2 OR" 12 43 12 52 parsed_6otb 1
12 type=2 13 43 13 49 parsed_6otb 1
13 type=2 14 43 14 49 parsed_6otb 1
14 type=2 15 43 15 49 parsed_6otb 1
15 "type=2 OR" 16 43 16 52 parsed_6otb 1
16 type=2 17 43 17 49 parsed_6otb 1
17 "type=2 OR" 18 43 18 52 parsed_6otb 1
18 type=2 19 43 19 49 parsed_6otb 1
19 type=2 20 43 20 49 parsed_6otb 1
20 type=2 21 43 21 49 parsed_6otb 1
21 "type=2 OR" 22 43 22 52 parsed_6otb 1
22 type=2 23 43 23 49 parsed_6otb 1
23 "type=2 OR" 24 43 24 52 parsed_6otb 1
24 type=2 25 43 25 49 parsed_6otb 1
25 type=2 26 43 26 49 parsed_6otb 1
26 type=2 27 43 27 49 parsed_6otb 1
27 "type=2 OR" 28 43 28 52 parsed_6otb 1
28 type=2 29 43 29 49 parsed_6otb 1
29 "type=2 OR" 30 43 30 52 parsed_6otb 1
30 type=2 31 43 31 49 parsed_6otb 1
31 type=2 32 43 32 49 parsed_6otb 1
32 type=2 33 43 33 49 parsed_6otb 1
33 "type=2 OR" 34 43 34 52 parsed_6otb 1
34 type=2 35 43 35 49 parsed_6otb 1
35 "type=2 OR" 36 43 36 52 parsed_6otb 1
36 type=2 37 43 37 49 parsed_6otb 1
37 type=2 38 43 38 49 parsed_6otb 1
38 type=2 39 43 39 49 parsed_6otb 1
39 "type=2 OR" 40 43 40 52 parsed_6otb 1
40 type=2 41 43 41 49 parsed_6otb 1
41 "type=2 OR" 42 43 42 52 parsed_6otb 1
42 type=2 43 43 43 49 parsed_6otb 1
43 type=2 44 43 44 49 parsed_6otb 1
44 type=2 45 43 45 49 parsed_6otb 1
45 "type=2 OR" 46 43 46 52 parsed_6otb 1
46 type=2 47 43 47 49 parsed_6otb 1
47 "type=2 OR" 48 43 48 52 parsed_6otb 1
48 type=2 49 43 49 49 parsed_6otb 1
49 type=2 50 43 50 49 parsed_6otb 1
50 type=2 51 43 51 49 parsed_6otb 1
51 "type=2 OR" 52 43 52 52 parsed_6otb 1
52 type=2 53 43 53 49 parsed_6otb 1
53 "type=2 OR" 54 43 54 52 parsed_6otb 1
54 type=2 55 43 55 49 parsed_6otb 1
55 type=2 56 43 56 49 parsed_6otb 1
56 type=2 57 43 57 49 parsed_6otb 1
57 "type=2 OR" 58 43 58 52 parsed_6otb 1
58 type=2 59 43 59 49 parsed_6otb 1
59 "type=2 OR" 60 43 60 52 parsed_6otb 1
60 type=2 61 43 61 49 parsed_6otb 1
61 type=2 62 43 62 49 parsed_6otb 1
62 type=2 63 43 63 49 parsed_6otb 1
63 "type=2 OR" 64 43 64 52 parsed_6otb 1
64 type=2 65 43 65 49 parsed_6otb 1
65 "type=2 OR" 66 43 66 52 parsed_6otb 1
66 type=2 67 43 67 49 parsed_6otb 1
67 type=2 68 43 68 49 parsed_6otb 1
68 type=2 69 43 69 49 parsed_6otb 1
69 "type=2 OR" 70 43 70 52 parsed_6otb 1
70 type=2 71 43 71 49 parsed_6otb 1
71 "type=2 OR" 72 43 72 52 parsed_6otb 1
72 type=2 73 43 73 49 parsed_6otb 1
73 type=2 74 43 74 49 parsed_6otb 1
74 type=2 75 43 75 49 parsed_6otb 1
75 type=2 76 43 76 49 parsed_6otb 1
76 type=2 77 43 77 49 parsed_6otb 1
77 type=2 78 43 78 49 parsed_6otb 1
78 type=2 79 43 79 49 parsed_6otb 1
79 type=2 80 43 80 49 parsed_6otb 1
80 type=2 81 43 81 49 parsed_6otb 1
81 type=2 82 43 82 49 parsed_6otb 1
82 type=2 83 43 83 49 parsed_6otb 1
83 type=2 84 43 84 49 parsed_6otb 1
84 type=2 85 43 85 49 parsed_6otb 1
85 type=2 86 43 86 49 parsed_6otb 1
86 type=2 87 43 87 49 parsed_6otb 1
87 type=2 88 43 88 49 parsed_6otb 1
88 type=2 89 43 89 49 parsed_6otb 1
89 type=2 90 43 90 49 parsed_6otb 1
90 type=2 91 43 91 49 parsed_6otb 1
91 type=2 92 43 92 49 parsed_6otb 1
92 type=2 93 43 93 49 parsed_6otb 1
93 type=2 94 43 94 49 parsed_6otb 1
94 type=2 95 43 95 49 parsed_6otb 1
95 type=2 96 43 96 49 parsed_6otb 1
96 type=2 97 43 97 49 parsed_6otb 1
97 type=2 98 43 98 49 parsed_6otb 1
98 type=2 99 43 99 49 parsed_6otb 1
99 type=2 100 43 100 49 parsed_6otb 1
100 type=2 101 43 101 49 parsed_6otb 1
101 type=2 102 43 102 49 parsed_6otb 1
102 type=2 103 43 103 49 parsed_6otb 1
103 type=2 104 43 104 49 parsed_6otb 1
104 type=2 105 43 105 49 parsed_6otb 1
105 type=2 106 43 106 49 parsed_6otb 1
106 type=2 107 43 107 49 parsed_6otb 1
107 type=2 108 43 108 49 parsed_6otb 1
108 type=2 109 43 109 49 parsed_6otb 1
stop_
save_
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