NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
38630 |
1rrr   |
cing | 2-parsed | STAR | entry | full | 229 |
data_1rrr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1rrr
_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_1rrr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1rrr
_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 1rrr "Master copy" parsed_1rrr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1rrr
_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 1rrr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rrr 1
1 1rrr.mr . . DISCOVER 2 distance NOE simple 147 parsed_1rrr 1
1 1rrr.mr . . DISCOVER 3 distance "hydrogen bond" simple 25 parsed_1rrr 1
1 1rrr.mr . . DISCOVER 4 distance NOE simple 19 parsed_1rrr 1
1 1rrr.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_1rrr 1
1 1rrr.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1rrr 1
1 1rrr.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rrr 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_1rrr
_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 RNA DUPLEX 21-OCT-97 1RRR
*TITLE RNA DUPLEX CONTAINING A PURINE-RICH STRAND, NMR, 10
*TITLE 2 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RNA DUPLEX, R(GAAGAGAAGC)(DOT)R(GCUUCUCUUC);
*COMPND 3 CHAIN: A, B;
*COMPND 4 SYNONYM: RR10.RY10;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: NON-BIOLOGICAL SEQUENCE
*KEYWDS RNA DUPLEX, PURINE/PYRIMIDINE-RICH STRANDS, A-FORM
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR J.I.GYI,A.N.LANE,G.L.CONN,T.BROWN
*REVDAT 1 22-APR-98 1RRR 0
!RNA duplex containing a purine-rich strand
!
!BIOSYM restraint 1
!
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rrr
_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_1rrr 1
2 1 . . . parsed_1rrr 1
3 1 . . . parsed_1rrr 1
4 1 . . . parsed_1rrr 1
5 1 . . . parsed_1rrr 1
6 1 . . . parsed_1rrr 1
7 1 . . . parsed_1rrr 1
8 1 . . . parsed_1rrr 1
9 1 . . . parsed_1rrr 1
10 1 . . . parsed_1rrr 1
11 1 . . . parsed_1rrr 1
12 1 . . . parsed_1rrr 1
13 1 . . . parsed_1rrr 1
14 1 . . . parsed_1rrr 1
15 1 . . . parsed_1rrr 1
16 1 . . . parsed_1rrr 1
17 1 . . . parsed_1rrr 1
18 1 . . . parsed_1rrr 1
19 1 . . . parsed_1rrr 1
20 1 . . . parsed_1rrr 1
21 1 . . . parsed_1rrr 1
22 1 . . . parsed_1rrr 1
23 1 . . . parsed_1rrr 1
24 1 . . . parsed_1rrr 1
25 1 . . . parsed_1rrr 1
26 1 . . . parsed_1rrr 1
27 1 . . . parsed_1rrr 1
28 1 . . . parsed_1rrr 1
29 1 . . . parsed_1rrr 1
30 1 . . . parsed_1rrr 1
31 1 . . . parsed_1rrr 1
32 1 . . . parsed_1rrr 1
33 1 . . . parsed_1rrr 1
34 1 . . . parsed_1rrr 1
35 1 . . . parsed_1rrr 1
36 1 . . . parsed_1rrr 1
37 1 . . . parsed_1rrr 1
38 1 . . . parsed_1rrr 1
39 1 . . . parsed_1rrr 1
40 1 . . . parsed_1rrr 1
41 1 . . . parsed_1rrr 1
42 1 . . . parsed_1rrr 1
43 1 . . . parsed_1rrr 1
44 1 . . . parsed_1rrr 1
45 1 . . . parsed_1rrr 1
46 1 . . . parsed_1rrr 1
47 1 . . . parsed_1rrr 1
48 1 . . . parsed_1rrr 1
49 1 . . . parsed_1rrr 1
50 1 . . . parsed_1rrr 1
51 1 . . . parsed_1rrr 1
52 1 . . . parsed_1rrr 1
53 1 . . . parsed_1rrr 1
54 1 . . . parsed_1rrr 1
55 1 . . . parsed_1rrr 1
56 1 . . . parsed_1rrr 1
57 1 . . . parsed_1rrr 1
58 1 . . . parsed_1rrr 1
59 1 . . . parsed_1rrr 1
60 1 . . . parsed_1rrr 1
61 1 . . . parsed_1rrr 1
62 1 . . . parsed_1rrr 1
63 1 . . . parsed_1rrr 1
64 1 . . . parsed_1rrr 1
65 1 . . . parsed_1rrr 1
66 1 . . . parsed_1rrr 1
67 1 . . . parsed_1rrr 1
68 1 . . . parsed_1rrr 1
69 1 . . . parsed_1rrr 1
70 1 . . . parsed_1rrr 1
71 1 . . . parsed_1rrr 1
72 1 . . . parsed_1rrr 1
73 1 . . . parsed_1rrr 1
74 1 . . . parsed_1rrr 1
75 1 . . . parsed_1rrr 1
76 1 . . . parsed_1rrr 1
77 1 . . . parsed_1rrr 1
78 1 . . . parsed_1rrr 1
79 1 . . . parsed_1rrr 1
80 1 . . . parsed_1rrr 1
81 1 . . . parsed_1rrr 1
82 1 . . . parsed_1rrr 1
83 1 . . . parsed_1rrr 1
84 1 . . . parsed_1rrr 1
85 1 . . . parsed_1rrr 1
86 1 . . . parsed_1rrr 1
87 1 . . . parsed_1rrr 1
88 1 . . . parsed_1rrr 1
89 1 . . . parsed_1rrr 1
90 1 . . . parsed_1rrr 1
91 1 . . . parsed_1rrr 1
92 1 . . . parsed_1rrr 1
93 1 . . . parsed_1rrr 1
94 1 . . . parsed_1rrr 1
95 1 . . . parsed_1rrr 1
96 1 . . . parsed_1rrr 1
97 1 . . . parsed_1rrr 1
98 1 . . . parsed_1rrr 1
99 1 . . . parsed_1rrr 1
100 1 . . . parsed_1rrr 1
101 1 . . . parsed_1rrr 1
102 1 . . . parsed_1rrr 1
103 1 . . . parsed_1rrr 1
104 1 . . . parsed_1rrr 1
105 1 . . . parsed_1rrr 1
106 1 . . . parsed_1rrr 1
107 1 . . . parsed_1rrr 1
108 1 . . . parsed_1rrr 1
109 1 . . . parsed_1rrr 1
110 1 . . . parsed_1rrr 1
111 1 . . . parsed_1rrr 1
112 1 . . . parsed_1rrr 1
113 1 . . . parsed_1rrr 1
114 1 . . . parsed_1rrr 1
115 1 . . . parsed_1rrr 1
116 1 . . . parsed_1rrr 1
117 1 . . . parsed_1rrr 1
118 1 . . . parsed_1rrr 1
119 1 . . . parsed_1rrr 1
120 1 . . . parsed_1rrr 1
121 1 . . . parsed_1rrr 1
122 1 . . . parsed_1rrr 1
123 1 . . . parsed_1rrr 1
124 1 . . . parsed_1rrr 1
125 1 . . . parsed_1rrr 1
126 1 . . . parsed_1rrr 1
127 1 . . . parsed_1rrr 1
128 1 . . . parsed_1rrr 1
129 1 . . . parsed_1rrr 1
130 1 . . . parsed_1rrr 1
131 1 . . . parsed_1rrr 1
132 1 . . . parsed_1rrr 1
133 1 . . . parsed_1rrr 1
134 1 . . . parsed_1rrr 1
135 1 . . . parsed_1rrr 1
136 1 . . . parsed_1rrr 1
137 1 . . . parsed_1rrr 1
138 1 . . . parsed_1rrr 1
139 1 . . . parsed_1rrr 1
140 1 . . . parsed_1rrr 1
141 1 . . . parsed_1rrr 1
142 1 . . . parsed_1rrr 1
143 1 . . . parsed_1rrr 1
144 1 . . . parsed_1rrr 1
145 1 . . . parsed_1rrr 1
146 1 . . . parsed_1rrr 1
147 1 . . . parsed_1rrr 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . 1 1 G H8 parsed_1rrr 1
1 1 2 . . . . . . . . 1 1 G H1' parsed_1rrr 1
2 1 1 . . . . . . . . 1 1 G H8 parsed_1rrr 1
2 1 2 . . . . . . . . 1 1 G H2' parsed_1rrr 1
3 1 1 . . . . . . . . 1 1 G H8 parsed_1rrr 1
3 1 2 . . . . . . . . 1 1 G H3' parsed_1rrr 1
4 1 1 . . . . . . . . 1 1 G H1' parsed_1rrr 1
4 1 2 . . . . . . . . 1 1 G H4' parsed_1rrr 1
5 1 1 . . . . . . . . 1 1 G H1' parsed_1rrr 1
5 1 2 . . . . . . . . 1 2 A H8 parsed_1rrr 1
6 1 1 . . . . . . . . 1 1 G H2' parsed_1rrr 1
6 1 2 . . . . . . . . 1 2 A H8 parsed_1rrr 1
7 1 1 . . . . . . . . 1 1 G H3' parsed_1rrr 1
7 1 2 . . . . . . . . 1 2 A H8 parsed_1rrr 1
8 1 1 . . . . . . . . 1 2 A H8 parsed_1rrr 1
8 1 2 . . . . . . . . 1 2 A H1' parsed_1rrr 1
9 1 1 . . . . . . . . 1 2 A H8 parsed_1rrr 1
9 1 2 . . . . . . . . 1 2 A H2' parsed_1rrr 1
10 1 1 . . . . . . . . 1 2 A H8 parsed_1rrr 1
10 1 2 . . . . . . . . 1 2 A H3' parsed_1rrr 1
11 1 1 . . . . . . . . 1 2 A H1' parsed_1rrr 1
11 1 2 . . . . . . . . 1 2 A H4' parsed_1rrr 1
12 1 1 . . . . . . . . 1 2 A H1' parsed_1rrr 1
12 1 2 . . . . . . . . 1 3 A H8 parsed_1rrr 1
13 1 1 . . . . . . . . 1 2 A H2' parsed_1rrr 1
13 1 2 . . . . . . . . 1 3 A H8 parsed_1rrr 1
14 1 1 . . . . . . . . 1 2 A H3' parsed_1rrr 1
14 1 2 . . . . . . . . 1 3 A H8 parsed_1rrr 1
15 1 1 . . . . . . . . 1 3 A H8 parsed_1rrr 1
15 1 2 . . . . . . . . 1 3 A H1' parsed_1rrr 1
16 1 1 . . . . . . . . 1 3 A H8 parsed_1rrr 1
16 1 2 . . . . . . . . 1 3 A H2' parsed_1rrr 1
17 1 1 . . . . . . . . 1 3 A H8 parsed_1rrr 1
17 1 2 . . . . . . . . 1 3 A H3' parsed_1rrr 1
18 1 1 . . . . . . . . 1 3 A H1' parsed_1rrr 1
18 1 2 . . . . . . . . 1 3 A H4' parsed_1rrr 1
19 1 1 . . . . . . . . 1 3 A H1' parsed_1rrr 1
19 1 2 . . . . . . . . 1 4 G H8 parsed_1rrr 1
20 1 1 . . . . . . . . 1 3 A H2' parsed_1rrr 1
20 1 2 . . . . . . . . 1 4 G H8 parsed_1rrr 1
21 1 1 . . . . . . . . 1 3 A H3' parsed_1rrr 1
21 1 2 . . . . . . . . 1 4 G H8 parsed_1rrr 1
22 1 1 . . . . . . . . 1 4 G H8 parsed_1rrr 1
22 1 2 . . . . . . . . 1 4 G H1' parsed_1rrr 1
23 1 1 . . . . . . . . 1 4 G H8 parsed_1rrr 1
23 1 2 . . . . . . . . 1 4 G H2' parsed_1rrr 1
24 1 1 . . . . . . . . 1 4 G H8 parsed_1rrr 1
24 1 2 . . . . . . . . 1 4 G H3' parsed_1rrr 1
25 1 1 . . . . . . . . 1 4 G H1' parsed_1rrr 1
25 1 2 . . . . . . . . 1 4 G H4' parsed_1rrr 1
26 1 1 . . . . . . . . 1 4 G H1' parsed_1rrr 1
26 1 2 . . . . . . . . 1 5 A H8 parsed_1rrr 1
27 1 1 . . . . . . . . 1 4 G H2' parsed_1rrr 1
27 1 2 . . . . . . . . 1 5 A H8 parsed_1rrr 1
28 1 1 . . . . . . . . 1 4 G H3' parsed_1rrr 1
28 1 2 . . . . . . . . 1 5 A H8 parsed_1rrr 1
29 1 1 . . . . . . . . 1 5 A H8 parsed_1rrr 1
29 1 2 . . . . . . . . 1 5 A H1' parsed_1rrr 1
30 1 1 . . . . . . . . 1 5 A H8 parsed_1rrr 1
30 1 2 . . . . . . . . 1 5 A H2' parsed_1rrr 1
31 1 1 . . . . . . . . 1 5 A H8 parsed_1rrr 1
31 1 2 . . . . . . . . 1 5 A H3' parsed_1rrr 1
32 1 1 . . . . . . . . 1 5 A H1' parsed_1rrr 1
32 1 2 . . . . . . . . 1 5 A H4' parsed_1rrr 1
33 1 1 . . . . . . . . 1 5 A H1' parsed_1rrr 1
33 1 2 . . . . . . . . 1 6 G H8 parsed_1rrr 1
34 1 1 . . . . . . . . 1 5 A H2' parsed_1rrr 1
34 1 2 . . . . . . . . 1 6 G H8 parsed_1rrr 1
35 1 1 . . . . . . . . 1 5 A H3' parsed_1rrr 1
35 1 2 . . . . . . . . 1 6 G H8 parsed_1rrr 1
36 1 1 . . . . . . . . 1 6 G H8 parsed_1rrr 1
36 1 2 . . . . . . . . 1 6 G H1' parsed_1rrr 1
37 1 1 . . . . . . . . 1 6 G H8 parsed_1rrr 1
37 1 2 . . . . . . . . 1 6 G H2' parsed_1rrr 1
38 1 1 . . . . . . . . 1 6 G H8 parsed_1rrr 1
38 1 2 . . . . . . . . 1 6 G H3' parsed_1rrr 1
39 1 1 . . . . . . . . 1 6 G H1' parsed_1rrr 1
39 1 2 . . . . . . . . 1 6 G H4' parsed_1rrr 1
40 1 1 . . . . . . . . 1 6 G H1' parsed_1rrr 1
40 1 2 . . . . . . . . 1 7 A H8 parsed_1rrr 1
41 1 1 . . . . . . . . 1 6 G H2' parsed_1rrr 1
41 1 2 . . . . . . . . 1 7 A H8 parsed_1rrr 1
42 1 1 . . . . . . . . 1 6 G H3' parsed_1rrr 1
42 1 2 . . . . . . . . 1 7 A H8 parsed_1rrr 1
43 1 1 . . . . . . . . 1 7 A H8 parsed_1rrr 1
43 1 2 . . . . . . . . 1 7 A H1' parsed_1rrr 1
44 1 1 . . . . . . . . 1 7 A H8 parsed_1rrr 1
44 1 2 . . . . . . . . 1 7 A H2' parsed_1rrr 1
45 1 1 . . . . . . . . 1 7 A H8 parsed_1rrr 1
45 1 2 . . . . . . . . 1 7 A H3' parsed_1rrr 1
46 1 1 . . . . . . . . 1 7 A H1' parsed_1rrr 1
46 1 2 . . . . . . . . 1 7 A H4' parsed_1rrr 1
47 1 1 . . . . . . . . 1 7 A H1' parsed_1rrr 1
47 1 2 . . . . . . . . 1 8 A H8 parsed_1rrr 1
48 1 1 . . . . . . . . 1 7 A H2' parsed_1rrr 1
48 1 2 . . . . . . . . 1 8 A H8 parsed_1rrr 1
49 1 1 . . . . . . . . 1 7 A H3' parsed_1rrr 1
49 1 2 . . . . . . . . 1 8 A H8 parsed_1rrr 1
50 1 1 . . . . . . . . 1 8 A H8 parsed_1rrr 1
50 1 2 . . . . . . . . 1 8 A H1' parsed_1rrr 1
51 1 1 . . . . . . . . 1 8 A H8 parsed_1rrr 1
51 1 2 . . . . . . . . 1 8 A H2' parsed_1rrr 1
52 1 1 . . . . . . . . 1 8 A H8 parsed_1rrr 1
52 1 2 . . . . . . . . 1 8 A H3' parsed_1rrr 1
53 1 1 . . . . . . . . 1 8 A H1' parsed_1rrr 1
53 1 2 . . . . . . . . 1 8 A H4' parsed_1rrr 1
54 1 1 . . . . . . . . 1 8 A H1' parsed_1rrr 1
54 1 2 . . . . . . . . 1 9 G H8 parsed_1rrr 1
55 1 1 . . . . . . . . 1 8 A H2' parsed_1rrr 1
55 1 2 . . . . . . . . 1 9 G H8 parsed_1rrr 1
56 1 1 . . . . . . . . 1 8 A H3' parsed_1rrr 1
56 1 2 . . . . . . . . 1 9 G H8 parsed_1rrr 1
57 1 1 . . . . . . . . 1 9 G H8 parsed_1rrr 1
57 1 2 . . . . . . . . 1 9 G H1' parsed_1rrr 1
58 1 1 . . . . . . . . 1 9 G H8 parsed_1rrr 1
58 1 2 . . . . . . . . 1 9 G H2' parsed_1rrr 1
59 1 1 . . . . . . . . 1 9 G H8 parsed_1rrr 1
59 1 2 . . . . . . . . 1 9 G H3' parsed_1rrr 1
60 1 1 . . . . . . . . 1 9 G H1' parsed_1rrr 1
60 1 2 . . . . . . . . 1 9 G H4' parsed_1rrr 1
61 1 1 . . . . . . . . 1 9 G H1' parsed_1rrr 1
61 1 2 . . . . . . . . 1 10 C H6 parsed_1rrr 1
62 1 1 . . . . . . . . 1 9 G H2' parsed_1rrr 1
62 1 2 . . . . . . . . 1 10 C H6 parsed_1rrr 1
63 1 1 . . . . . . . . 1 10 C H6 parsed_1rrr 1
63 1 2 . . . . . . . . 1 10 C H1' parsed_1rrr 1
64 1 1 . . . . . . . . 1 10 C H6 parsed_1rrr 1
64 1 2 . . . . . . . . 1 10 C H2' parsed_1rrr 1
65 1 1 . . . . . . . . 1 10 C H6 parsed_1rrr 1
65 1 2 . . . . . . . . 1 10 C H3' parsed_1rrr 1
66 1 1 . . . . . . . . 1 10 C H1' parsed_1rrr 1
66 1 2 . . . . . . . . 1 10 C H4' parsed_1rrr 1
67 1 1 . . . . . . . . B 1 G H8 parsed_1rrr 1
67 1 2 . . . . . . . . B 1 G H1' parsed_1rrr 1
68 1 1 . . . . . . . . B 1 G H8 parsed_1rrr 1
68 1 2 . . . . . . . . B 1 G H2' parsed_1rrr 1
69 1 1 . . . . . . . . B 1 G H1' parsed_1rrr 1
69 1 2 . . . . . . . . B 1 G H4' parsed_1rrr 1
70 1 1 . . . . . . . . B 1 G H1' parsed_1rrr 1
70 1 2 . . . . . . . . B 2 C H6 parsed_1rrr 1
71 1 1 . . . . . . . . B 1 G H2' parsed_1rrr 1
71 1 2 . . . . . . . . B 2 C H6 parsed_1rrr 1
72 1 1 . . . . . . . . B 2 C H6 parsed_1rrr 1
72 1 2 . . . . . . . . B 2 C H1' parsed_1rrr 1
73 1 1 . . . . . . . . B 2 C H6 parsed_1rrr 1
73 1 2 . . . . . . . . B 2 C H2' parsed_1rrr 1
74 1 1 . . . . . . . . B 2 C H6 parsed_1rrr 1
74 1 2 . . . . . . . . B 2 C H3' parsed_1rrr 1
75 1 1 . . . . . . . . B 2 C H1' parsed_1rrr 1
75 1 2 . . . . . . . . B 3 U H6 parsed_1rrr 1
76 1 1 . . . . . . . . B 2 C H2' parsed_1rrr 1
76 1 2 . . . . . . . . B 3 U H6 parsed_1rrr 1
77 1 1 . . . . . . . . B 3 U H6 parsed_1rrr 1
77 1 2 . . . . . . . . B 3 U H1' parsed_1rrr 1
78 1 1 . . . . . . . . B 3 U H6 parsed_1rrr 1
78 1 2 . . . . . . . . B 3 U H2' parsed_1rrr 1
79 1 1 . . . . . . . . B 3 U H6 parsed_1rrr 1
79 1 2 . . . . . . . . B 3 U H3' parsed_1rrr 1
80 1 1 . . . . . . . . B 3 U H1' parsed_1rrr 1
80 1 2 . . . . . . . . B 3 U H4' parsed_1rrr 1
81 1 1 . . . . . . . . B 3 U H1' parsed_1rrr 1
81 1 2 . . . . . . . . B 4 U H6 parsed_1rrr 1
82 1 1 . . . . . . . . B 3 U H2' parsed_1rrr 1
82 1 2 . . . . . . . . B 4 U H6 parsed_1rrr 1
83 1 1 . . . . . . . . B 4 U H6 parsed_1rrr 1
83 1 2 . . . . . . . . B 4 U H1' parsed_1rrr 1
84 1 1 . . . . . . . . B 4 U H6 parsed_1rrr 1
84 1 2 . . . . . . . . B 4 U H2' parsed_1rrr 1
85 1 1 . . . . . . . . B 4 U H6 parsed_1rrr 1
85 1 2 . . . . . . . . B 4 U H3' parsed_1rrr 1
86 1 1 . . . . . . . . B 4 U H1' parsed_1rrr 1
86 1 2 . . . . . . . . B 4 U H4' parsed_1rrr 1
87 1 1 . . . . . . . . B 4 U H1' parsed_1rrr 1
87 1 2 . . . . . . . . B 5 C H6 parsed_1rrr 1
88 1 1 . . . . . . . . B 4 U H2' parsed_1rrr 1
88 1 2 . . . . . . . . B 5 C H6 parsed_1rrr 1
89 1 1 . . . . . . . . B 5 C H6 parsed_1rrr 1
89 1 2 . . . . . . . . B 5 C H1' parsed_1rrr 1
90 1 1 . . . . . . . . B 5 C H6 parsed_1rrr 1
90 1 2 . . . . . . . . B 5 C H2' parsed_1rrr 1
91 1 1 . . . . . . . . B 5 C H6 parsed_1rrr 1
91 1 2 . . . . . . . . B 5 C H3' parsed_1rrr 1
92 1 1 . . . . . . . . B 5 C H1' parsed_1rrr 1
92 1 2 . . . . . . . . B 5 C H4' parsed_1rrr 1
93 1 1 . . . . . . . . B 5 C H1' parsed_1rrr 1
93 1 2 . . . . . . . . B 6 U H6 parsed_1rrr 1
94 1 1 . . . . . . . . B 5 C H2' parsed_1rrr 1
94 1 2 . . . . . . . . B 6 U H6 parsed_1rrr 1
95 1 1 . . . . . . . . B 6 U H6 parsed_1rrr 1
95 1 2 . . . . . . . . B 6 U H1' parsed_1rrr 1
96 1 1 . . . . . . . . B 6 U H6 parsed_1rrr 1
96 1 2 . . . . . . . . B 6 U H2' parsed_1rrr 1
97 1 1 . . . . . . . . B 6 U H6 parsed_1rrr 1
97 1 2 . . . . . . . . B 6 U H3' parsed_1rrr 1
98 1 1 . . . . . . . . B 6 U H1' parsed_1rrr 1
98 1 2 . . . . . . . . B 6 U H4' parsed_1rrr 1
99 1 1 . . . . . . . . B 6 U H1' parsed_1rrr 1
99 1 2 . . . . . . . . B 7 C H6 parsed_1rrr 1
100 1 1 . . . . . . . . B 6 U H2' parsed_1rrr 1
100 1 2 . . . . . . . . B 7 C H6 parsed_1rrr 1
101 1 1 . . . . . . . . B 7 C H6 parsed_1rrr 1
101 1 2 . . . . . . . . B 7 C H1' parsed_1rrr 1
102 1 1 . . . . . . . . B 7 C H6 parsed_1rrr 1
102 1 2 . . . . . . . . B 7 C H2' parsed_1rrr 1
103 1 1 . . . . . . . . B 7 C H6 parsed_1rrr 1
103 1 2 . . . . . . . . B 7 C H3' parsed_1rrr 1
104 1 1 . . . . . . . . B 7 C H1' parsed_1rrr 1
104 1 2 . . . . . . . . B 7 C H4' parsed_1rrr 1
105 1 1 . . . . . . . . B 7 C H1' parsed_1rrr 1
105 1 2 . . . . . . . . B 8 U H6 parsed_1rrr 1
106 1 1 . . . . . . . . B 7 C H2' parsed_1rrr 1
106 1 2 . . . . . . . . B 8 U H6 parsed_1rrr 1
107 1 1 . . . . . . . . B 8 U H6 parsed_1rrr 1
107 1 2 . . . . . . . . B 8 U H1' parsed_1rrr 1
108 1 1 . . . . . . . . B 8 U H6 parsed_1rrr 1
108 1 2 . . . . . . . . B 8 U H2' parsed_1rrr 1
109 1 1 . . . . . . . . B 8 U H6 parsed_1rrr 1
109 1 2 . . . . . . . . B 8 U H3' parsed_1rrr 1
110 1 1 . . . . . . . . B 8 U H1' parsed_1rrr 1
110 1 2 . . . . . . . . B 8 U H4' parsed_1rrr 1
111 1 1 . . . . . . . . B 8 U H1' parsed_1rrr 1
111 1 2 . . . . . . . . B 9 U H6 parsed_1rrr 1
112 1 1 . . . . . . . . B 8 U H2' parsed_1rrr 1
112 1 2 . . . . . . . . B 9 U H6 parsed_1rrr 1
113 1 1 . . . . . . . . B 9 U H6 parsed_1rrr 1
113 1 2 . . . . . . . . B 9 U H1' parsed_1rrr 1
114 1 1 . . . . . . . . B 9 U H6 parsed_1rrr 1
114 1 2 . . . . . . . . B 9 U H2' parsed_1rrr 1
115 1 1 . . . . . . . . B 9 U H6 parsed_1rrr 1
115 1 2 . . . . . . . . B 9 U H3' parsed_1rrr 1
116 1 1 . . . . . . . . B 9 U H1' parsed_1rrr 1
116 1 2 . . . . . . . . B 9 U H4' parsed_1rrr 1
117 1 1 . . . . . . . . B 9 U H1' parsed_1rrr 1
117 1 2 . . . . . . . . B 10 C H6 parsed_1rrr 1
118 1 1 . . . . . . . . B 9 U H2' parsed_1rrr 1
118 1 2 . . . . . . . . B 10 C H6 parsed_1rrr 1
119 1 1 . . . . . . . . B 10 C H6 parsed_1rrr 1
119 1 2 . . . . . . . . B 10 C H1' parsed_1rrr 1
120 1 1 . . . . . . . . B 10 C H6 parsed_1rrr 1
120 1 2 . . . . . . . . B 10 C H2' parsed_1rrr 1
121 1 1 . . . . . . . . B 10 C H6 parsed_1rrr 1
121 1 2 . . . . . . . . B 10 C H3' parsed_1rrr 1
122 1 1 . . . . . . . . B 10 C H1' parsed_1rrr 1
122 1 2 . . . . . . . . B 10 C H4' parsed_1rrr 1
123 1 1 . . . . . . . . 1 9 G H8 parsed_1rrr 1
123 1 2 . . . . . . . . 1 10 C H5 parsed_1rrr 1
124 1 1 . . . . . . . . B 1 G H8 parsed_1rrr 1
124 1 2 . . . . . . . . B 2 C H5 parsed_1rrr 1
125 1 1 . . . . . . . . B 4 U H6 parsed_1rrr 1
125 1 2 . . . . . . . . B 5 C H5 parsed_1rrr 1
126 1 1 . . . . . . . . B 6 U H6 parsed_1rrr 1
126 1 2 . . . . . . . . B 7 C H5 parsed_1rrr 1
127 1 1 . . . . . . . . B 9 U H6 parsed_1rrr 1
127 1 2 . . . . . . . . B 10 C H5 parsed_1rrr 1
128 1 1 . . . . . . . . 1 2 A H2 parsed_1rrr 1
128 1 2 . . . . . . . . B 10 C H1' parsed_1rrr 1
129 1 1 . . . . . . . . 1 3 A H2 parsed_1rrr 1
129 1 2 . . . . . . . . 1 4 G H1' parsed_1rrr 1
130 1 1 . . . . . . . . 1 7 A H2 parsed_1rrr 1
130 1 2 . . . . . . . . 1 8 A H1' parsed_1rrr 1
131 1 1 . . . . . . . . 1 1 G H8 parsed_1rrr 1
131 1 2 . . . . . . . . 1 2 A H8 parsed_1rrr 1
132 1 1 . . . . . . . . 1 2 A H8 parsed_1rrr 1
132 1 2 . . . . . . . . 1 3 A H8 parsed_1rrr 1
133 1 1 . . . . . . . . 1 3 A H8 parsed_1rrr 1
133 1 2 . . . . . . . . 1 4 G H8 parsed_1rrr 1
134 1 1 . . . . . . . . 1 4 G H8 parsed_1rrr 1
134 1 2 . . . . . . . . 1 5 A H8 parsed_1rrr 1
135 1 1 . . . . . . . . 1 5 A H8 parsed_1rrr 1
135 1 2 . . . . . . . . 1 6 G H8 parsed_1rrr 1
136 1 1 . . . . . . . . 1 6 G H8 parsed_1rrr 1
136 1 2 . . . . . . . . 1 7 A H8 parsed_1rrr 1
137 1 1 . . . . . . . . 1 7 A H8 parsed_1rrr 1
137 1 2 . . . . . . . . 1 8 A H8 parsed_1rrr 1
138 1 1 . . . . . . . . 1 8 A H8 parsed_1rrr 1
138 1 2 . . . . . . . . 1 9 G H8 parsed_1rrr 1
139 1 1 . . . . . . . . 1 9 G H8 parsed_1rrr 1
139 1 2 . . . . . . . . 1 10 C H6 parsed_1rrr 1
140 1 1 . . . . . . . . B 1 G H8 parsed_1rrr 1
140 1 2 . . . . . . . . B 2 C H6 parsed_1rrr 1
141 1 1 . . . . . . . . B 5 C H6 parsed_1rrr 1
141 1 2 . . . . . . . . B 6 U H6 parsed_1rrr 1
142 1 1 . . . . . . . . B 7 C H6 parsed_1rrr 1
142 1 2 . . . . . . . . B 8 U H6 parsed_1rrr 1
143 1 1 . . . . . . . . B 2 C H6 parsed_1rrr 1
143 1 2 . . . . . . . . B 3 U H5 parsed_1rrr 1
144 1 1 . . . . . . . . B 3 U H6 parsed_1rrr 1
144 1 2 . . . . . . . . B 4 U H5 parsed_1rrr 1
145 1 1 . . . . . . . . B 5 C H6 parsed_1rrr 1
145 1 2 . . . . . . . . B 6 U H5 parsed_1rrr 1
146 1 1 . . . . . . . . B 7 C H6 parsed_1rrr 1
146 1 2 . . . . . . . . B 8 U H5 parsed_1rrr 1
147 1 1 . . . . . . . . B 8 U H6 parsed_1rrr 1
147 1 2 . . . . . . . . B 9 U H5 parsed_1rrr 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 . . . . . . 3.500 4.000 parsed_1rrr 1
2 1 . . . . . . 2.900 4.800 parsed_1rrr 1
3 1 . . . . . . 2.500 3.500 parsed_1rrr 1
4 1 . . . . . . 2.900 3.300 parsed_1rrr 1
5 1 . . . . . . 2.900 4.600 parsed_1rrr 1
6 1 . . . . . . 2.400 2.900 parsed_1rrr 1
7 1 . . . . . . 2.500 4.600 parsed_1rrr 1
8 1 . . . . . . 3.500 3.900 parsed_1rrr 1
9 1 . . . . . . 2.900 4.600 parsed_1rrr 1
10 1 . . . . . . 2.800 4.500 parsed_1rrr 1
11 1 . . . . . . 3.000 3.300 parsed_1rrr 1
12 1 . . . . . . 3.500 5.000 parsed_1rrr 1
13 1 . . . . . . 2.400 2.900 parsed_1rrr 1
14 1 . . . . . . 4.000 5.500 parsed_1rrr 1
15 1 . . . . . . 3.500 3.900 parsed_1rrr 1
16 1 . . . . . . 2.900 4.600 parsed_1rrr 1
17 1 . . . . . . 2.800 4.200 parsed_1rrr 1
18 1 . . . . . . 2.900 3.200 parsed_1rrr 1
19 1 . . . . . . 3.500 5.000 parsed_1rrr 1
20 1 . . . . . . 2.200 2.500 parsed_1rrr 1
21 1 . . . . . . 4.000 5.200 parsed_1rrr 1
22 1 . . . . . . 3.500 4.000 parsed_1rrr 1
23 1 . . . . . . 2.800 4.600 parsed_1rrr 1
24 1 . . . . . . 2.500 4.500 parsed_1rrr 1
25 1 . . . . . . 2.850 3.300 parsed_1rrr 1
26 1 . . . . . . 3.500 5.000 parsed_1rrr 1
27 1 . . . . . . 2.200 2.500 parsed_1rrr 1
28 1 . . . . . . 2.500 4.000 parsed_1rrr 1
29 1 . . . . . . 3.500 3.900 parsed_1rrr 1
30 1 . . . . . . 2.800 4.900 parsed_1rrr 1
31 1 . . . . . . 2.800 4.200 parsed_1rrr 1
32 1 . . . . . . 3.000 3.300 parsed_1rrr 1
33 1 . . . . . . 3.500 5.000 parsed_1rrr 1
34 1 . . . . . . 2.300 2.700 parsed_1rrr 1
35 1 . . . . . . 2.400 4.800 parsed_1rrr 1
36 1 . . . . . . 3.500 3.900 parsed_1rrr 1
37 1 . . . . . . 2.900 4.800 parsed_1rrr 1
38 1 . . . . . . 2.500 4.200 parsed_1rrr 1
39 1 . . . . . . 2.850 3.500 parsed_1rrr 1
40 1 . . . . . . 3.500 5.000 parsed_1rrr 1
41 1 . . . . . . 2.200 2.600 parsed_1rrr 1
42 1 . . . . . . 2.400 4.500 parsed_1rrr 1
43 1 . . . . . . 3.500 3.900 parsed_1rrr 1
44 1 . . . . . . 2.900 5.000 parsed_1rrr 1
45 1 . . . . . . 2.500 4.500 parsed_1rrr 1
46 1 . . . . . . 2.900 3.500 parsed_1rrr 1
47 1 . . . . . . 3.500 5.000 parsed_1rrr 1
48 1 . . . . . . 2.300 2.800 parsed_1rrr 1
49 1 . . . . . . 2.500 4.800 parsed_1rrr 1
50 1 . . . . . . 3.500 4.000 parsed_1rrr 1
51 1 . . . . . . 2.800 4.500 parsed_1rrr 1
52 1 . . . . . . 2.500 4.000 parsed_1rrr 1
53 1 . . . . . . 2.900 3.300 parsed_1rrr 1
54 1 . . . . . . 3.500 5.000 parsed_1rrr 1
55 1 . . . . . . 2.300 2.800 parsed_1rrr 1
56 1 . . . . . . 2.500 4.800 parsed_1rrr 1
57 1 . . . . . . 3.500 4.100 parsed_1rrr 1
58 1 . . . . . . 2.900 4.800 parsed_1rrr 1
59 1 . . . . . . 2.500 4.500 parsed_1rrr 1
60 1 . . . . . . 3.000 3.400 parsed_1rrr 1
61 1 . . . . . . 3.500 5.000 parsed_1rrr 1
62 1 . . . . . . 2.200 2.800 parsed_1rrr 1
63 1 . . . . . . 3.500 4.000 parsed_1rrr 1
64 1 . . . . . . 2.800 4.800 parsed_1rrr 1
65 1 . . . . . . 2.500 4.200 parsed_1rrr 1
66 1 . . . . . . 2.900 3.500 parsed_1rrr 1
67 1 . . . . . . 3.500 3.900 parsed_1rrr 1
68 1 . . . . . . 2.800 4.600 parsed_1rrr 1
69 1 . . . . . . 3.000 3.500 parsed_1rrr 1
70 1 . . . . . . 3.500 5.000 parsed_1rrr 1
71 1 . . . . . . 2.200 2.900 parsed_1rrr 1
72 1 . . . . . . 3.500 3.900 parsed_1rrr 1
73 1 . . . . . . 2.800 4.700 parsed_1rrr 1
74 1 . . . . . . 2.800 4.200 parsed_1rrr 1
75 1 . . . . . . 3.500 5.000 parsed_1rrr 1
76 1 . . . . . . 2.300 2.800 parsed_1rrr 1
77 1 . . . . . . 3.500 3.900 parsed_1rrr 1
78 1 . . . . . . 2.800 4.700 parsed_1rrr 1
79 1 . . . . . . 2.800 4.500 parsed_1rrr 1
80 1 . . . . . . 2.500 4.500 parsed_1rrr 1
81 1 . . . . . . 3.500 5.000 parsed_1rrr 1
82 1 . . . . . . 2.200 2.500 parsed_1rrr 1
83 1 . . . . . . 3.500 3.900 parsed_1rrr 1
84 1 . . . . . . 2.800 4.400 parsed_1rrr 1
85 1 . . . . . . 2.800 4.500 parsed_1rrr 1
86 1 . . . . . . 2.900 3.500 parsed_1rrr 1
87 1 . . . . . . 3.500 5.000 parsed_1rrr 1
88 1 . . . . . . 2.200 2.800 parsed_1rrr 1
89 1 . . . . . . 3.500 3.900 parsed_1rrr 1
90 1 . . . . . . 2.800 4.300 parsed_1rrr 1
91 1 . . . . . . 2.800 4.500 parsed_1rrr 1
92 1 . . . . . . 2.900 3.400 parsed_1rrr 1
93 1 . . . . . . 3.500 5.000 parsed_1rrr 1
94 1 . . . . . . 2.200 2.500 parsed_1rrr 1
95 1 . . . . . . 3.500 3.900 parsed_1rrr 1
96 1 . . . . . . 2.800 4.500 parsed_1rrr 1
97 1 . . . . . . 2.800 4.500 parsed_1rrr 1
98 1 . . . . . . 2.500 4.500 parsed_1rrr 1
99 1 . . . . . . 3.500 5.000 parsed_1rrr 1
100 1 . . . . . . 2.200 2.800 parsed_1rrr 1
101 1 . . . . . . 3.500 3.900 parsed_1rrr 1
102 1 . . . . . . 2.800 4.800 parsed_1rrr 1
103 1 . . . . . . 2.800 4.500 parsed_1rrr 1
104 1 . . . . . . 2.900 3.400 parsed_1rrr 1
105 1 . . . . . . 3.500 5.000 parsed_1rrr 1
106 1 . . . . . . 2.200 2.500 parsed_1rrr 1
107 1 . . . . . . 3.500 3.900 parsed_1rrr 1
108 1 . . . . . . 2.800 4.600 parsed_1rrr 1
109 1 . . . . . . 2.800 4.500 parsed_1rrr 1
110 1 . . . . . . 2.850 3.300 parsed_1rrr 1
111 1 . . . . . . 3.500 5.000 parsed_1rrr 1
112 1 . . . . . . 2.200 2.400 parsed_1rrr 1
113 1 . . . . . . 3.500 3.900 parsed_1rrr 1
114 1 . . . . . . 2.800 4.600 parsed_1rrr 1
115 1 . . . . . . 2.800 4.500 parsed_1rrr 1
116 1 . . . . . . 2.800 3.500 parsed_1rrr 1
117 1 . . . . . . 3.500 5.000 parsed_1rrr 1
118 1 . . . . . . 2.200 2.600 parsed_1rrr 1
119 1 . . . . . . 3.500 3.900 parsed_1rrr 1
120 1 . . . . . . 2.800 4.500 parsed_1rrr 1
121 1 . . . . . . 2.800 4.500 parsed_1rrr 1
122 1 . . . . . . 2.900 3.500 parsed_1rrr 1
123 1 . . . . . . 3.500 4.500 parsed_1rrr 1
124 1 . . . . . . 3.500 4.500 parsed_1rrr 1
125 1 . . . . . . 3.500 4.500 parsed_1rrr 1
126 1 . . . . . . 3.500 4.500 parsed_1rrr 1
127 1 . . . . . . 3.500 4.500 parsed_1rrr 1
128 1 . . . . . . 2.500 4.000 parsed_1rrr 1
129 1 . . . . . . 2.500 4.000 parsed_1rrr 1
130 1 . . . . . . 2.500 4.000 parsed_1rrr 1
131 1 . . . . . . 4.000 6.000 parsed_1rrr 1
132 1 . . . . . . 4.000 6.000 parsed_1rrr 1
133 1 . . . . . . 4.000 6.000 parsed_1rrr 1
134 1 . . . . . . 4.000 6.000 parsed_1rrr 1
135 1 . . . . . . 4.000 6.000 parsed_1rrr 1
136 1 . . . . . . 4.000 6.000 parsed_1rrr 1
137 1 . . . . . . 4.000 6.000 parsed_1rrr 1
138 1 . . . . . . 4.000 6.000 parsed_1rrr 1
139 1 . . . . . . 4.000 6.000 parsed_1rrr 1
140 1 . . . . . . 4.000 6.000 parsed_1rrr 1
141 1 . . . . . . 4.000 6.000 parsed_1rrr 1
142 1 . . . . . . 4.000 6.000 parsed_1rrr 1
143 1 . . . . . . 3.000 4.900 parsed_1rrr 1
144 1 . . . . . . 3.000 4.900 parsed_1rrr 1
145 1 . . . . . . 3.000 4.900 parsed_1rrr 1
146 1 . . . . . . 3.000 4.900 parsed_1rrr 1
147 1 . . . . . . 3.000 4.900 parsed_1rrr 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 distance 1 1 1 9 parsed_1rrr 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rrr
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1rrr 2
2 1 . . . parsed_1rrr 2
3 1 . . . parsed_1rrr 2
4 1 . . . parsed_1rrr 2
5 1 . . . parsed_1rrr 2
6 1 . . . parsed_1rrr 2
7 1 . . . parsed_1rrr 2
8 1 . . . parsed_1rrr 2
9 1 . . . parsed_1rrr 2
10 1 . . . parsed_1rrr 2
11 1 . . . parsed_1rrr 2
12 1 . . . parsed_1rrr 2
13 1 . . . parsed_1rrr 2
14 1 . . . parsed_1rrr 2
15 1 . . . parsed_1rrr 2
16 1 . . . parsed_1rrr 2
17 1 . . . parsed_1rrr 2
18 1 . . . parsed_1rrr 2
19 1 . . . parsed_1rrr 2
20 1 . . . parsed_1rrr 2
21 1 . . . parsed_1rrr 2
22 1 . . . parsed_1rrr 2
23 1 . . . parsed_1rrr 2
24 1 . . . parsed_1rrr 2
25 1 . . . parsed_1rrr 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 . . . . . . . . B 1 G N1 parsed_1rrr 2
1 1 2 . . . . . . . . 1 10 C N3 parsed_1rrr 2
2 1 1 . . . . . . . . B 1 G N2 parsed_1rrr 2
2 1 2 . . . . . . . . 1 10 C O2 parsed_1rrr 2
3 1 1 . . . . . . . . B 1 G O6 parsed_1rrr 2
3 1 2 . . . . . . . . 1 10 C N4 parsed_1rrr 2
4 1 1 . . . . . . . . B 2 C N3 parsed_1rrr 2
4 1 2 . . . . . . . . 1 9 G N1 parsed_1rrr 2
5 1 1 . . . . . . . . B 2 C O2 parsed_1rrr 2
5 1 2 . . . . . . . . 1 9 G N2 parsed_1rrr 2
6 1 1 . . . . . . . . B 2 C N4 parsed_1rrr 2
6 1 2 . . . . . . . . 1 9 G O6 parsed_1rrr 2
7 1 1 . . . . . . . . B 3 U O4 parsed_1rrr 2
7 1 2 . . . . . . . . 1 8 A N6 parsed_1rrr 2
8 1 1 . . . . . . . . B 3 U N3 parsed_1rrr 2
8 1 2 . . . . . . . . 1 8 A N1 parsed_1rrr 2
9 1 1 . . . . . . . . B 4 U O4 parsed_1rrr 2
9 1 2 . . . . . . . . 1 7 A N6 parsed_1rrr 2
10 1 1 . . . . . . . . B 4 U N3 parsed_1rrr 2
10 1 2 . . . . . . . . 1 7 A N1 parsed_1rrr 2
11 1 1 . . . . . . . . B 5 C N4 parsed_1rrr 2
11 1 2 . . . . . . . . 1 6 G O6 parsed_1rrr 2
12 1 1 . . . . . . . . B 5 C N3 parsed_1rrr 2
12 1 2 . . . . . . . . 1 6 G N1 parsed_1rrr 2
13 1 1 . . . . . . . . B 5 C O2 parsed_1rrr 2
13 1 2 . . . . . . . . 1 6 G N2 parsed_1rrr 2
14 1 1 . . . . . . . . B 6 U N3 parsed_1rrr 2
14 1 2 . . . . . . . . 1 5 A N1 parsed_1rrr 2
15 1 1 . . . . . . . . B 6 U O4 parsed_1rrr 2
15 1 2 . . . . . . . . 1 5 A N6 parsed_1rrr 2
16 1 1 . . . . . . . . B 7 C N3 parsed_1rrr 2
16 1 2 . . . . . . . . 1 4 G N1 parsed_1rrr 2
17 1 1 . . . . . . . . B 7 C O2 parsed_1rrr 2
17 1 2 . . . . . . . . 1 4 G N2 parsed_1rrr 2
18 1 1 . . . . . . . . B 7 C N4 parsed_1rrr 2
18 1 2 . . . . . . . . 1 4 G O6 parsed_1rrr 2
19 1 1 . . . . . . . . 1 3 A N1 parsed_1rrr 2
19 1 2 . . . . . . . . B 8 U N3 parsed_1rrr 2
20 1 1 . . . . . . . . 1 3 A N6 parsed_1rrr 2
20 1 2 . . . . . . . . B 8 U O4 parsed_1rrr 2
21 1 1 . . . . . . . . 1 2 A N6 parsed_1rrr 2
21 1 2 . . . . . . . . B 9 U O4 parsed_1rrr 2
22 1 1 . . . . . . . . 1 2 A N1 parsed_1rrr 2
22 1 2 . . . . . . . . B 9 U N3 parsed_1rrr 2
23 1 1 . . . . . . . . 1 1 G O6 parsed_1rrr 2
23 1 2 . . . . . . . . B 10 C N4 parsed_1rrr 2
24 1 1 . . . . . . . . 1 1 G N1 parsed_1rrr 2
24 1 2 . . . . . . . . B 10 C N3 parsed_1rrr 2
25 1 1 . . . . . . . . 1 1 G N2 parsed_1rrr 2
25 1 2 . . . . . . . . B 10 C O2 parsed_1rrr 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 . . . . . . 2.800 3.250 parsed_1rrr 2
2 1 . . . . . . 2.800 3.250 parsed_1rrr 2
3 1 . . . . . . 2.800 3.250 parsed_1rrr 2
4 1 . . . . . . 2.800 3.250 parsed_1rrr 2
5 1 . . . . . . 2.800 3.250 parsed_1rrr 2
6 1 . . . . . . 2.800 3.250 parsed_1rrr 2
7 1 . . . . . . 2.800 3.250 parsed_1rrr 2
8 1 . . . . . . 2.800 3.250 parsed_1rrr 2
9 1 . . . . . . 2.800 3.250 parsed_1rrr 2
10 1 . . . . . . 2.800 3.250 parsed_1rrr 2
11 1 . . . . . . 2.800 3.250 parsed_1rrr 2
12 1 . . . . . . 2.800 3.250 parsed_1rrr 2
13 1 . . . . . . 2.800 3.250 parsed_1rrr 2
14 1 . . . . . . 2.700 3.250 parsed_1rrr 2
15 1 . . . . . . 2.700 3.250 parsed_1rrr 2
16 1 . . . . . . 2.700 3.250 parsed_1rrr 2
17 1 . . . . . . 2.700 3.250 parsed_1rrr 2
18 1 . . . . . . 2.700 3.250 parsed_1rrr 2
19 1 . . . . . . 2.700 3.250 parsed_1rrr 2
20 1 . . . . . . 2.700 3.250 parsed_1rrr 2
21 1 . . . . . . 2.700 3.250 parsed_1rrr 2
22 1 . . . . . . 2.700 3.250 parsed_1rrr 2
23 1 . . . . . . 2.700 3.250 parsed_1rrr 2
24 1 . . . . . . 2.700 3.250 parsed_1rrr 2
25 1 . . . . . . 2.700 3.250 parsed_1rrr 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 "exchangeables, jimmy" 1 1 1 22 parsed_1rrr 2
stop_
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rrr
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1rrr 3
2 1 . . . parsed_1rrr 3
3 1 . . . parsed_1rrr 3
4 1 . . . parsed_1rrr 3
5 1 . . . parsed_1rrr 3
6 1 . . . parsed_1rrr 3
7 1 . . . parsed_1rrr 3
8 1 . . . parsed_1rrr 3
9 1 . . . parsed_1rrr 3
10 1 . . . parsed_1rrr 3
11 1 . . . parsed_1rrr 3
12 1 . . . parsed_1rrr 3
13 1 . . . parsed_1rrr 3
14 1 . . . parsed_1rrr 3
15 1 . . . parsed_1rrr 3
16 1 . . . parsed_1rrr 3
17 1 . . . parsed_1rrr 3
18 1 . . . parsed_1rrr 3
19 1 . . . parsed_1rrr 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . 1 1 G H1 parsed_1rrr 3
1 1 2 . . . . . . . . B 9 U H3 parsed_1rrr 3
2 1 1 . . . . . . . . B 9 U H3 parsed_1rrr 3
2 1 2 . . . . . . . . B 8 U H3 parsed_1rrr 3
3 1 1 . . . . . . . . 1 4 G H1 parsed_1rrr 3
3 1 2 . . . . . . . . B 8 U H3 parsed_1rrr 3
4 1 1 . . . . . . . . 1 4 G H1 parsed_1rrr 3
4 1 2 . . . . . . . . B 6 U H3 parsed_1rrr 3
5 1 1 . . . . . . . . B 6 U H3 parsed_1rrr 3
5 1 2 . . . . . . . . 1 6 G H1 parsed_1rrr 3
6 1 1 . . . . . . . . 1 6 G H1 parsed_1rrr 3
6 1 2 . . . . . . . . B 4 U H3 parsed_1rrr 3
7 1 1 . . . . . . . . B 4 U H3 parsed_1rrr 3
7 1 2 . . . . . . . . B 3 U H3 parsed_1rrr 3
8 1 1 . . . . . . . . B 3 U H3 parsed_1rrr 3
8 1 2 . . . . . . . . 1 9 G H1 parsed_1rrr 3
9 1 1 . . . . . . . . 1 9 G H1 parsed_1rrr 3
9 1 2 . . . . . . . . B 1 G H1 parsed_1rrr 3
10 1 1 . . . . . . . . 1 8 A H2 parsed_1rrr 3
10 1 2 . . . . . . . . B 3 U H3 parsed_1rrr 3
11 1 1 . . . . . . . . B 4 U H3 parsed_1rrr 3
11 1 2 . . . . . . . . 1 7 A H2 parsed_1rrr 3
12 1 1 . . . . . . . . B 6 U H3 parsed_1rrr 3
12 1 2 . . . . . . . . 1 5 A H2 parsed_1rrr 3
13 1 1 . . . . . . . . 1 3 A H2 parsed_1rrr 3
13 1 2 . . . . . . . . B 8 U H3 parsed_1rrr 3
14 1 1 . . . . . . . . 1 2 A H2 parsed_1rrr 3
14 1 2 . . . . . . . . B 9 U H3 parsed_1rrr 3
15 1 1 . . . . . . . . 1 7 A H2 parsed_1rrr 3
15 1 2 . . . . . . . . 1 8 A H2 parsed_1rrr 3
16 1 1 . . . . . . . . 1 1 G H1 parsed_1rrr 3
16 1 2 . . . . . . . . B 10 C H42 parsed_1rrr 3
17 1 1 . . . . . . . . 1 4 G H1 parsed_1rrr 3
17 1 2 . . . . . . . . B 7 C H42 parsed_1rrr 3
18 1 1 . . . . . . . . 1 6 G H1 parsed_1rrr 3
18 1 2 . . . . . . . . B 5 C H42 parsed_1rrr 3
19 1 1 . . . . . . . . 1 9 G H1 parsed_1rrr 3
19 1 2 . . . . . . . . B 2 C H42 parsed_1rrr 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.500 4.500 parsed_1rrr 3
2 1 . . . . . . 3.500 4.500 parsed_1rrr 3
3 1 . . . . . . 3.500 4.500 parsed_1rrr 3
4 1 . . . . . . 3.500 4.500 parsed_1rrr 3
5 1 . . . . . . 3.500 4.500 parsed_1rrr 3
6 1 . . . . . . 3.500 4.500 parsed_1rrr 3
7 1 . . . . . . 3.500 4.500 parsed_1rrr 3
8 1 . . . . . . 3.500 4.500 parsed_1rrr 3
9 1 . . . . . . 3.500 4.500 parsed_1rrr 3
10 1 . . . . . . 2.800 3.100 parsed_1rrr 3
11 1 . . . . . . 2.700 3.000 parsed_1rrr 3
12 1 . . . . . . 2.700 3.000 parsed_1rrr 3
13 1 . . . . . . 2.700 3.000 parsed_1rrr 3
14 1 . . . . . . 2.700 3.000 parsed_1rrr 3
15 1 . . . . . . 2.500 4.000 parsed_1rrr 3
16 1 . . . . . . 2.400 2.800 parsed_1rrr 3
17 1 . . . . . . 2.400 2.800 parsed_1rrr 3
18 1 . . . . . . 2.400 2.800 parsed_1rrr 3
19 1 . . . . . . 2.400 2.800 parsed_1rrr 3
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1rrr
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 90 . 1 1 G C5' 1 1 G C4' 1 1 G C3' 1 1 G O3' parsed_1rrr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' parsed_1rrr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1rrr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 4 G C5' 1 4 G C4' 1 4 G C3' 1 4 G O3' parsed_1rrr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 5 A C5' 1 5 A C4' 1 5 A C3' 1 5 A O3' parsed_1rrr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' parsed_1rrr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' parsed_1rrr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 8 A C5' 1 8 A C4' 1 8 A C3' 1 8 A O3' parsed_1rrr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' parsed_1rrr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 90 . 1 10 C C5' 1 10 C C4' 1 10 C C3' 1 10 C O3' parsed_1rrr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 90 . B 1 G C5' B 1 G C4' B 1 G C3' B 1 G O3' parsed_1rrr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1rrr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 3 U C5' B 3 U C4' B 3 U C3' B 3 U O3' parsed_1rrr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 4 U C5' B 4 U C4' B 4 U C3' B 4 U O3' parsed_1rrr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 5 C C5' B 5 C C4' B 5 C C3' B 5 C O3' parsed_1rrr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 6 U C5' B 6 U C4' B 6 U C3' B 6 U O3' parsed_1rrr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 7 C C5' B 7 C C4' B 7 C C3' B 7 C O3' parsed_1rrr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 8 U C5' B 8 U C4' B 8 U C3' B 8 U O3' parsed_1rrr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 87 . B 9 U C5' B 9 U C4' B 9 U C3' B 9 U O3' parsed_1rrr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 90 . B 10 C C5' B 10 C C4' B 10 C C3' B 10 C O3' parsed_1rrr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 1 G O4' 1 1 G C1' 1 1 G N9 1 1 G C4 parsed_1rrr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 parsed_1rrr 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 parsed_1rrr 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 4 G O4' 1 4 G C1' 1 4 G N9 1 4 G C4 parsed_1rrr 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 parsed_1rrr 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 parsed_1rrr 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 8 A O4' 1 8 A C1' 1 8 A N9 1 8 A C4 parsed_1rrr 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . 1 10 C O4' 1 10 C C1' 1 10 C N1 1 10 C C2 parsed_1rrr 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 1 G O4' B 1 G C1' B 1 G N1 B 1 G C2 parsed_1rrr 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 parsed_1rrr 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 3 U O4' B 3 U C1' B 3 U N1 B 3 U C2 parsed_1rrr 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 4 U O4' B 4 U C1' B 4 U N1 B 4 U C2 parsed_1rrr 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 5 C O4' B 5 C C1' B 5 C N1 B 5 C C2 parsed_1rrr 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 6 U O4' B 6 U C1' B 6 U N1 B 6 U C2 parsed_1rrr 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 7 C O4' B 7 C C1' B 7 C N1 B 7 C C2 parsed_1rrr 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 8 U O4' B 8 U C1' B 8 U N1 B 8 U C2 parsed_1rrr 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 9 U O4' B 9 U C1' B 9 U N1 B 9 U C2 parsed_1rrr 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . B 10 C O4' B 10 C C1' B 10 C N1 B 10 C C2 parsed_1rrr 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
NMR_dihedral
DELTA
;
1 1 3 64 parsed_1rrr 1
2 CHI 25 1 26 64 parsed_1rrr 1
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1rrr
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#mixing_times
50ms, 100ms, 150ms, 200ms, 250ms.
;
save_
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