NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
36572 |
1nts   |
5776 | cing | 2-parsed | STAR | entry | full | 228 |
data_1nts_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nts
_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_1nts 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nts
_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 1nts "Master copy" parsed_1nts
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nts
_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 1nts.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nts 1
1 1nts.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 parsed_1nts 1
1 1nts.mr . . DISCOVER 3 distance NOE simple 151 parsed_1nts 1
1 1nts.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1nts 1
1 1nts.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nts 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_1nts
_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/DNA 30-JAN-03 1NTS
*TITLE 5'(DCCPUPCPCPUPUP)3':3'(RAGGAGGAAA)5', WHERE P=PROPYNYL
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-D(*(5PC)P*(5PC)P*(PDU)P*(5PC)P*(5PC)P*(PDU)
*COMPND 7 P*(PDU))-3';
*COMPND 8 CHAIN: B;
*COMPND 9 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES
*KEYWDS DNA, RNA, HYBRID, PROPYNYL
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR B.M.ZNOSKO, T.W.BARNES III, T.R.KRUGH, D.H.TURNER
*REVDAT 1 10-JUN-03 1NTS 0
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nts
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1nts 1
2 1 . . . parsed_1nts 1
3 1 . . . parsed_1nts 1
4 1 . . . parsed_1nts 1
5 1 . . . parsed_1nts 1
6 1 . . . parsed_1nts 1
7 1 . . . parsed_1nts 1
8 1 . . . parsed_1nts 1
9 1 . . . parsed_1nts 1
10 1 . . . parsed_1nts 1
11 1 . . . parsed_1nts 1
12 1 . . . parsed_1nts 1
13 1 . . . parsed_1nts 1
14 1 . . . parsed_1nts 1
15 1 . . . parsed_1nts 1
16 1 . . . parsed_1nts 1
17 1 . . . parsed_1nts 1
18 1 . . . parsed_1nts 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 3 A N1 parsed_1nts 1
1 1 2 . . . . . . . . B 7 PU3' H3 parsed_1nts 1
2 1 1 . . . . . . . . 1 3 A H61 parsed_1nts 1
2 1 2 . . . . . . . . B 7 PU3' O4 parsed_1nts 1
3 1 1 . . . . . . . . 1 4 A N1 parsed_1nts 1
3 1 2 . . . . . . . . B 6 PU H3 parsed_1nts 1
4 1 1 . . . . . . . . 1 4 A H61 parsed_1nts 1
4 1 2 . . . . . . . . B 6 PU O4 parsed_1nts 1
5 1 1 . . . . . . . . 1 5 G H1 parsed_1nts 1
5 1 2 . . . . . . . . B 5 PC N3 parsed_1nts 1
6 1 1 . . . . . . . . 1 5 G O6 parsed_1nts 1
6 1 2 . . . . . . . . B 5 PC H42 parsed_1nts 1
7 1 1 . . . . . . . . 1 5 G H22 parsed_1nts 1
7 1 2 . . . . . . . . B 5 PC O2 parsed_1nts 1
8 1 1 . . . . . . . . 1 6 G H1 parsed_1nts 1
8 1 2 . . . . . . . . B 4 PC N3 parsed_1nts 1
9 1 1 . . . . . . . . 1 6 G O6 parsed_1nts 1
9 1 2 . . . . . . . . B 4 PC H42 parsed_1nts 1
10 1 1 . . . . . . . . 1 6 G H22 parsed_1nts 1
10 1 2 . . . . . . . . B 4 PC O2 parsed_1nts 1
11 1 1 . . . . . . . . 1 7 A N1 parsed_1nts 1
11 1 2 . . . . . . . . B 3 PU H3 parsed_1nts 1
12 1 1 . . . . . . . . 1 7 A H61 parsed_1nts 1
12 1 2 . . . . . . . . B 3 PU O4 parsed_1nts 1
13 1 1 . . . . . . . . 1 8 G H1 parsed_1nts 1
13 1 2 . . . . . . . . B 2 PC N3 parsed_1nts 1
14 1 1 . . . . . . . . 1 8 G O6 parsed_1nts 1
14 1 2 . . . . . . . . B 2 PC H42 parsed_1nts 1
15 1 1 . . . . . . . . 1 8 G H22 parsed_1nts 1
15 1 2 . . . . . . . . B 2 PC O2 parsed_1nts 1
16 1 1 . . . . . . . . 1 9 G H1 parsed_1nts 1
16 1 2 . . . . . . . . B 1 C5' N3 parsed_1nts 1
17 1 1 . . . . . . . . 1 9 G O6 parsed_1nts 1
17 1 2 . . . . . . . . B 1 C5' H42 parsed_1nts 1
18 1 1 . . . . . . . . 1 9 G H22 parsed_1nts 1
18 1 2 . . . . . . . . B 1 C5' O2 parsed_1nts 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.800 2.500 parsed_1nts 1
2 1 . . . . . . 1.800 2.500 parsed_1nts 1
3 1 . . . . . . 1.800 2.500 parsed_1nts 1
4 1 . . . . . . 1.800 2.500 parsed_1nts 1
5 1 . . . . . . 1.800 2.500 parsed_1nts 1
6 1 . . . . . . 1.800 2.500 parsed_1nts 1
7 1 . . . . . . 1.800 2.500 parsed_1nts 1
8 1 . . . . . . 1.800 2.500 parsed_1nts 1
9 1 . . . . . . 1.800 2.500 parsed_1nts 1
10 1 . . . . . . 1.800 2.500 parsed_1nts 1
11 1 . . . . . . 1.800 2.500 parsed_1nts 1
12 1 . . . . . . 1.800 2.500 parsed_1nts 1
13 1 . . . . . . 1.800 2.500 parsed_1nts 1
14 1 . . . . . . 1.800 2.500 parsed_1nts 1
15 1 . . . . . . 1.800 2.500 parsed_1nts 1
16 1 . . . . . . 1.800 2.500 parsed_1nts 1
17 1 . . . . . . 1.800 2.500 parsed_1nts 1
18 1 . . . . . . 1.800 2.500 parsed_1nts 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
;
BIOSYM restraint 1
distance
Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
exchangeable protons on 1D and 2D NOESY spectra
;
1 1 6 1 parsed_1nts 1
2 Hbond 7 90 7 95 parsed_1nts 1
3 Hbond 8 90 8 95 parsed_1nts 1
4 Hbond 9 90 9 95 parsed_1nts 1
5 Hbond 10 90 10 95 parsed_1nts 1
6 Hbond 11 90 11 95 parsed_1nts 1
7 Hbond 12 90 12 95 parsed_1nts 1
8 Hbond 13 90 13 95 parsed_1nts 1
9 Hbond 14 90 14 95 parsed_1nts 1
10 Hbond 15 90 15 95 parsed_1nts 1
11 Hbond 16 90 16 95 parsed_1nts 1
12 Hbond 17 90 17 95 parsed_1nts 1
13 Hbond 18 90 18 95 parsed_1nts 1
14 Hbond 19 90 19 95 parsed_1nts 1
15 Hbond 20 90 20 95 parsed_1nts 1
16 Hbond 21 90 21 95 parsed_1nts 1
17 Hbond 22 90 22 95 parsed_1nts 1
18 Hbond 23 90 23 95 parsed_1nts 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nts
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1nts 2
2 1 . . . parsed_1nts 2
3 1 . . . parsed_1nts 2
4 1 . . . parsed_1nts 2
5 1 . . . parsed_1nts 2
6 1 . . . parsed_1nts 2
7 1 . . . parsed_1nts 2
8 1 . . . parsed_1nts 2
9 1 . . . parsed_1nts 2
10 1 . . . parsed_1nts 2
11 1 . . . parsed_1nts 2
12 1 . . . parsed_1nts 2
13 1 . . . parsed_1nts 2
14 1 . . . parsed_1nts 2
15 1 . . . parsed_1nts 2
16 1 . . . parsed_1nts 2
17 1 . . . parsed_1nts 2
18 1 . . . parsed_1nts 2
19 1 . . . parsed_1nts 2
20 1 . . . parsed_1nts 2
21 1 . . . parsed_1nts 2
22 1 . . . parsed_1nts 2
23 1 . . . parsed_1nts 2
24 1 . . . parsed_1nts 2
25 1 . . . parsed_1nts 2
26 1 . . . parsed_1nts 2
27 1 . . . parsed_1nts 2
28 1 . . . parsed_1nts 2
29 1 . . . parsed_1nts 2
30 1 . . . parsed_1nts 2
31 1 . . . parsed_1nts 2
32 1 . . . parsed_1nts 2
33 1 . . . parsed_1nts 2
34 1 . . . parsed_1nts 2
35 1 . . . parsed_1nts 2
36 1 . . . parsed_1nts 2
37 1 . . . parsed_1nts 2
38 1 . . . parsed_1nts 2
39 1 . . . parsed_1nts 2
40 1 . . . parsed_1nts 2
41 1 . . . parsed_1nts 2
42 1 . . . parsed_1nts 2
43 1 . . . parsed_1nts 2
44 1 . . . parsed_1nts 2
45 1 . . . parsed_1nts 2
46 1 . . . parsed_1nts 2
47 1 . . . parsed_1nts 2
48 1 . . . parsed_1nts 2
49 1 . . . parsed_1nts 2
50 1 . . . parsed_1nts 2
51 1 . . . parsed_1nts 2
52 1 . . . parsed_1nts 2
53 1 . . . parsed_1nts 2
54 1 . . . parsed_1nts 2
55 1 . . . parsed_1nts 2
56 1 . . . parsed_1nts 2
57 1 . . . parsed_1nts 2
58 1 . . . parsed_1nts 2
59 1 . . . parsed_1nts 2
60 1 . . . parsed_1nts 2
61 1 . . . parsed_1nts 2
62 1 . . . parsed_1nts 2
63 1 . . . parsed_1nts 2
64 1 . . . parsed_1nts 2
65 1 . . . parsed_1nts 2
66 1 . . . parsed_1nts 2
67 1 . . . parsed_1nts 2
68 1 . . . parsed_1nts 2
69 1 . . . parsed_1nts 2
70 1 . . . parsed_1nts 2
71 1 . . . parsed_1nts 2
72 1 . . . parsed_1nts 2
73 1 . . . parsed_1nts 2
74 1 . . . parsed_1nts 2
75 1 . . . parsed_1nts 2
76 1 . . . parsed_1nts 2
77 1 . . . parsed_1nts 2
78 1 . . . parsed_1nts 2
79 1 . . . parsed_1nts 2
80 1 . . . parsed_1nts 2
81 1 . . . parsed_1nts 2
82 1 . . . parsed_1nts 2
83 1 . . . parsed_1nts 2
84 1 . . . parsed_1nts 2
85 1 . . . parsed_1nts 2
86 1 . . . parsed_1nts 2
87 1 . . . parsed_1nts 2
88 1 . . . parsed_1nts 2
89 1 . . . parsed_1nts 2
90 1 . . . parsed_1nts 2
91 1 . . . parsed_1nts 2
92 1 . . . parsed_1nts 2
93 1 . . . parsed_1nts 2
94 1 . . . parsed_1nts 2
95 1 . . . parsed_1nts 2
96 1 . . . parsed_1nts 2
97 1 . . . parsed_1nts 2
98 1 . . . parsed_1nts 2
99 1 . . . parsed_1nts 2
100 1 . . . parsed_1nts 2
101 1 . . . parsed_1nts 2
102 1 . . . parsed_1nts 2
103 1 . . . parsed_1nts 2
104 1 . . . parsed_1nts 2
105 1 . . . parsed_1nts 2
106 1 . . . parsed_1nts 2
107 1 . . . parsed_1nts 2
108 1 . . . parsed_1nts 2
109 1 . . . parsed_1nts 2
110 1 . . . parsed_1nts 2
111 1 . . . parsed_1nts 2
112 1 . . . parsed_1nts 2
113 1 . . . parsed_1nts 2
114 1 . . . parsed_1nts 2
115 1 . . . parsed_1nts 2
116 1 . . . parsed_1nts 2
117 1 . . . parsed_1nts 2
118 1 . . . parsed_1nts 2
119 1 . . . parsed_1nts 2
120 1 . . . parsed_1nts 2
121 1 . . . parsed_1nts 2
122 1 . . . parsed_1nts 2
123 1 . . . parsed_1nts 2
124 1 . . . parsed_1nts 2
125 1 . . . parsed_1nts 2
126 1 . . . parsed_1nts 2
127 1 . . . parsed_1nts 2
128 1 . . . parsed_1nts 2
129 1 . . . parsed_1nts 2
130 1 . . . parsed_1nts 2
131 1 . . . parsed_1nts 2
132 1 . . . parsed_1nts 2
133 1 . . . parsed_1nts 2
134 1 . . . parsed_1nts 2
135 1 . . . parsed_1nts 2
136 1 . . . parsed_1nts 2
137 1 . . . parsed_1nts 2
138 1 . . . parsed_1nts 2
139 1 . . . parsed_1nts 2
140 1 . . . parsed_1nts 2
141 1 . . . parsed_1nts 2
142 1 . . . parsed_1nts 2
143 1 . . . parsed_1nts 2
144 1 . . . parsed_1nts 2
145 1 . . . parsed_1nts 2
146 1 . . . parsed_1nts 2
147 1 . . . parsed_1nts 2
148 1 . . . parsed_1nts 2
149 1 . . . parsed_1nts 2
150 1 . . . parsed_1nts 2
151 1 . . . parsed_1nts 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 C5' H6 parsed_1nts 2
1 1 2 . . . . . . . . B 1 C5' H5 parsed_1nts 2
2 1 1 . . . . . . . . B 1 C5' H6 parsed_1nts 2
2 1 2 . . . . . . . . B 2 PC H5M2 parsed_1nts 2
3 1 1 . . . . . . . . B 1 C5' H1' parsed_1nts 2
3 1 2 . . . . . . . . B 1 C5' H2'2 parsed_1nts 2
4 1 1 . . . . . . . . 1 2 A H2 parsed_1nts 2
4 1 2 . . . . . . . . 1 3 A H1' parsed_1nts 2
5 1 1 . . . . . . . . B 2 PC H6 parsed_1nts 2
5 1 2 . . . . . . . . B 1 C5' H1' parsed_1nts 2
6 1 1 . . . . . . . . B 2 PC H6 parsed_1nts 2
6 1 2 . . . . . . . . B 1 C5' H3' parsed_1nts 2
7 1 1 . . . . . . . . B 2 PC H6 parsed_1nts 2
7 1 2 . . . . . . . . B 2 PC H3' parsed_1nts 2
8 1 1 . . . . . . . . B 2 PC H6 parsed_1nts 2
8 1 2 . . . . . . . . B 3 PU H5M2 parsed_1nts 2
9 1 1 . . . . . . . . 1 2 A H8 parsed_1nts 2
9 1 2 . . . . . . . . 1 2 A H1' parsed_1nts 2
10 1 1 . . . . . . . . 1 2 A H8 parsed_1nts 2
10 1 2 . . . . . . . . 1 2 A H3' parsed_1nts 2
11 1 1 . . . . . . . . B 2 PC H1' parsed_1nts 2
11 1 2 . . . . . . . . B 2 PC H2'1 parsed_1nts 2
12 1 1 . . . . . . . . B 2 PC H1' parsed_1nts 2
12 1 2 . . . . . . . . B 2 PC H2'2 parsed_1nts 2
13 1 1 . . . . . . . . 1 2 A H1' parsed_1nts 2
13 1 2 . . . . . . . . 1 2 A H2' parsed_1nts 2
14 1 1 . . . . . . . . 1 2 A H1' parsed_1nts 2
14 1 2 . . . . . . . . 1 2 A H3' parsed_1nts 2
15 1 1 . . . . . . . . 1 2 A H1' parsed_1nts 2
15 1 2 . . . . . . . . 1 2 A H4' parsed_1nts 2
16 1 1 . . . . . . . . 1 2 A H3' parsed_1nts 2
16 1 2 . . . . . . . . 1 3 A H8 parsed_1nts 2
17 1 1 . . . . . . . . B 3 PU H5M2 parsed_1nts 2
17 1 2 . . . . . . . . B 2 PC H3' parsed_1nts 2
18 1 1 . . . . . . . . B 3 PU H6 parsed_1nts 2
18 1 2 . . . . . . . . B 2 PC H2'2 parsed_1nts 2
19 1 1 . . . . . . . . B 3 PU H6 parsed_1nts 2
19 1 2 . . . . . . . . B 3 PU H1' parsed_1nts 2
20 1 1 . . . . . . . . B 3 PU H6 parsed_1nts 2
20 1 2 . . . . . . . . B 4 PC H5M2 parsed_1nts 2
21 1 1 . . . . . . . . 1 3 A H8 parsed_1nts 2
21 1 2 . . . . . . . . 1 3 A H1' parsed_1nts 2
22 1 1 . . . . . . . . 1 3 A H1' parsed_1nts 2
22 1 2 . . . . . . . . 1 3 A H2' parsed_1nts 2
23 1 1 . . . . . . . . B 3 PU H1' parsed_1nts 2
23 1 2 . . . . . . . . B 3 PU H2'2 parsed_1nts 2
24 1 1 . . . . . . . . B 3 PU H1' parsed_1nts 2
24 1 2 . . . . . . . . B 3 PU H2'1 parsed_1nts 2
25 1 1 . . . . . . . . B 3 PU H1' parsed_1nts 2
25 1 2 . . . . . . . . B 3 PU H3' parsed_1nts 2
26 1 1 . . . . . . . . B 3 PU H1' parsed_1nts 2
26 1 2 . . . . . . . . B 3 PU H4' parsed_1nts 2
27 1 1 . . . . . . . . 1 3 A H1' parsed_1nts 2
27 1 2 . . . . . . . . 1 3 A H4' parsed_1nts 2
28 1 1 . . . . . . . . B 3 PU H1' parsed_1nts 2
28 1 2 . . . . . . . . B 4 PC H6 parsed_1nts 2
29 1 1 . . . . . . . . 1 3 A H1' parsed_1nts 2
29 1 2 . . . . . . . . 1 4 A H8 parsed_1nts 2
30 1 1 . . . . . . . . B 3 PU H3' parsed_1nts 2
30 1 2 . . . . . . . . B 3 PU H6 parsed_1nts 2
31 1 1 . . . . . . . . 1 4 A H2 parsed_1nts 2
31 1 2 . . . . . . . . B 7 PU3' H1' parsed_1nts 2
32 1 1 . . . . . . . . B 4 PC H5M2 parsed_1nts 2
32 1 2 . . . . . . . . B 3 PU H3' parsed_1nts 2
33 1 1 . . . . . . . . B 4 PC H6 parsed_1nts 2
33 1 2 . . . . . . . . B 3 PU H2'1 parsed_1nts 2
34 1 1 . . . . . . . . B 4 PC H6 parsed_1nts 2
34 1 2 . . . . . . . . B 3 PU H2'2 parsed_1nts 2
35 1 1 . . . . . . . . B 4 PC H6 parsed_1nts 2
35 1 2 . . . . . . . . B 3 PU H3' parsed_1nts 2
36 1 1 . . . . . . . . B 4 PC H6 parsed_1nts 2
36 1 2 . . . . . . . . B 4 PC H3' parsed_1nts 2
37 1 1 . . . . . . . . B 4 PC H6 parsed_1nts 2
37 1 2 . . . . . . . . B 5 PC H5M2 parsed_1nts 2
38 1 1 . . . . . . . . 1 4 A H8 parsed_1nts 2
38 1 2 . . . . . . . . 1 3 A H2' parsed_1nts 2
39 1 1 . . . . . . . . 1 4 A H8 parsed_1nts 2
39 1 2 . . . . . . . . 1 4 A H1' parsed_1nts 2
40 1 1 . . . . . . . . 1 4 A H8 parsed_1nts 2
40 1 2 . . . . . . . . 1 4 A H2' parsed_1nts 2
41 1 1 . . . . . . . . 1 4 A H8 parsed_1nts 2
41 1 2 . . . . . . . . 1 4 A H3' parsed_1nts 2
42 1 1 . . . . . . . . 1 4 A H8 parsed_1nts 2
42 1 2 . . . . . . . . 1 4 A H4' parsed_1nts 2
43 1 1 . . . . . . . . 1 4 A H1' parsed_1nts 2
43 1 2 . . . . . . . . 1 3 A H2 parsed_1nts 2
44 1 1 . . . . . . . . B 4 PC H1' parsed_1nts 2
44 1 2 . . . . . . . . B 4 PC H6 parsed_1nts 2
45 1 1 . . . . . . . . B 4 PC H1' parsed_1nts 2
45 1 2 . . . . . . . . B 4 PC H2'1 parsed_1nts 2
46 1 1 . . . . . . . . B 4 PC H1' parsed_1nts 2
46 1 2 . . . . . . . . B 4 PC H2'2 parsed_1nts 2
47 1 1 . . . . . . . . B 4 PC H1' parsed_1nts 2
47 1 2 . . . . . . . . B 4 PC H4' parsed_1nts 2
48 1 1 . . . . . . . . B 4 PC H1' parsed_1nts 2
48 1 2 . . . . . . . . B 5 PC H6 parsed_1nts 2
49 1 1 . . . . . . . . 1 4 A H1' parsed_1nts 2
49 1 2 . . . . . . . . 1 5 G H8 parsed_1nts 2
50 1 1 . . . . . . . . 1 4 A H2' parsed_1nts 2
50 1 2 . . . . . . . . 1 4 A H1' parsed_1nts 2
51 1 1 . . . . . . . . 1 4 A H3' parsed_1nts 2
51 1 2 . . . . . . . . 1 4 A H1' parsed_1nts 2
52 1 1 . . . . . . . . B 5 PC H5M2 parsed_1nts 2
52 1 2 . . . . . . . . B 4 PC H3' parsed_1nts 2
53 1 1 . . . . . . . . B 5 PC H6 parsed_1nts 2
53 1 2 . . . . . . . . B 4 PC H2'1 parsed_1nts 2
54 1 1 . . . . . . . . B 5 PC H6 parsed_1nts 2
54 1 2 . . . . . . . . B 5 PC H4' parsed_1nts 2
55 1 1 . . . . . . . . B 5 PC H6 parsed_1nts 2
55 1 2 . . . . . . . . B 6 PU H5M2 parsed_1nts 2
56 1 1 . . . . . . . . 1 5 G H8 parsed_1nts 2
56 1 2 . . . . . . . . 1 4 A H2' parsed_1nts 2
57 1 1 . . . . . . . . 1 5 G H8 parsed_1nts 2
57 1 2 . . . . . . . . 1 4 A H3' parsed_1nts 2
58 1 1 . . . . . . . . 1 5 G H8 parsed_1nts 2
58 1 2 . . . . . . . . 1 5 G H1' parsed_1nts 2
59 1 1 . . . . . . . . 1 5 G H8 parsed_1nts 2
59 1 2 . . . . . . . . 1 5 G H2' parsed_1nts 2
60 1 1 . . . . . . . . 1 5 G H8 parsed_1nts 2
60 1 2 . . . . . . . . 1 5 G H3' parsed_1nts 2
61 1 1 . . . . . . . . 1 5 G H8 parsed_1nts 2
61 1 2 . . . . . . . . 1 5 G H4' parsed_1nts 2
62 1 1 . . . . . . . . 1 5 G H1' parsed_1nts 2
62 1 2 . . . . . . . . 1 4 A H2 parsed_1nts 2
63 1 1 . . . . . . . . 1 5 G H1' parsed_1nts 2
63 1 2 . . . . . . . . 1 4 A H2' parsed_1nts 2
64 1 1 . . . . . . . . B 5 PC H1' parsed_1nts 2
64 1 2 . . . . . . . . B 5 PC H6 parsed_1nts 2
65 1 1 . . . . . . . . B 5 PC H1' parsed_1nts 2
65 1 2 . . . . . . . . B 5 PC H2'2 parsed_1nts 2
66 1 1 . . . . . . . . 1 5 G H1' parsed_1nts 2
66 1 2 . . . . . . . . 1 5 G H3' parsed_1nts 2
67 1 1 . . . . . . . . B 5 PC H1' parsed_1nts 2
67 1 2 . . . . . . . . B 5 PC H3' parsed_1nts 2
68 1 1 . . . . . . . . B 5 PC H1' parsed_1nts 2
68 1 2 . . . . . . . . B 5 PC H4' parsed_1nts 2
69 1 1 . . . . . . . . 1 5 G H1' parsed_1nts 2
69 1 2 . . . . . . . . 1 5 G H4' parsed_1nts 2
70 1 1 . . . . . . . . 1 5 G H2' parsed_1nts 2
70 1 2 . . . . . . . . 1 5 G H1' parsed_1nts 2
71 1 1 . . . . . . . . B 5 PC H3' parsed_1nts 2
71 1 2 . . . . . . . . B 5 PC H6 parsed_1nts 2
72 1 1 . . . . . . . . B 6 PU H5M2 parsed_1nts 2
72 1 2 . . . . . . . . B 5 PC H3' parsed_1nts 2
73 1 1 . . . . . . . . B 6 PU H6 parsed_1nts 2
73 1 2 . . . . . . . . B 5 PC H1' parsed_1nts 2
74 1 1 . . . . . . . . B 6 PU H6 parsed_1nts 2
74 1 2 . . . . . . . . B 5 PC H2'1 parsed_1nts 2
75 1 1 . . . . . . . . B 6 PU H6 parsed_1nts 2
75 1 2 . . . . . . . . B 5 PC H2'2 parsed_1nts 2
76 1 1 . . . . . . . . B 6 PU H6 parsed_1nts 2
76 1 2 . . . . . . . . B 7 PU3' H5M2 parsed_1nts 2
77 1 1 . . . . . . . . 1 6 G H8 parsed_1nts 2
77 1 2 . . . . . . . . 1 5 G H1' parsed_1nts 2
78 1 1 . . . . . . . . 1 6 G H8 parsed_1nts 2
78 1 2 . . . . . . . . 1 5 G H2' parsed_1nts 2
79 1 1 . . . . . . . . 1 6 G H8 parsed_1nts 2
79 1 2 . . . . . . . . 1 5 G H3' parsed_1nts 2
80 1 1 . . . . . . . . 1 6 G H8 parsed_1nts 2
80 1 2 . . . . . . . . 1 6 G H1' parsed_1nts 2
81 1 1 . . . . . . . . 1 6 G H8 parsed_1nts 2
81 1 2 . . . . . . . . 1 6 G H2' parsed_1nts 2
82 1 1 . . . . . . . . 1 6 G H8 parsed_1nts 2
82 1 2 . . . . . . . . 1 6 G H3' parsed_1nts 2
83 1 1 . . . . . . . . 1 6 G H8 parsed_1nts 2
83 1 2 . . . . . . . . 1 6 G H4' parsed_1nts 2
84 1 1 . . . . . . . . 1 6 G H1' parsed_1nts 2
84 1 2 . . . . . . . . 1 5 G H2' parsed_1nts 2
85 1 1 . . . . . . . . B 6 PU H1' parsed_1nts 2
85 1 2 . . . . . . . . B 6 PU H6 parsed_1nts 2
86 1 1 . . . . . . . . 1 6 G H1' parsed_1nts 2
86 1 2 . . . . . . . . 1 6 G H2' parsed_1nts 2
87 1 1 . . . . . . . . B 6 PU H1' parsed_1nts 2
87 1 2 . . . . . . . . B 6 PU H2'2 parsed_1nts 2
88 1 1 . . . . . . . . B 6 PU H1' parsed_1nts 2
88 1 2 . . . . . . . . B 6 PU H2'1 parsed_1nts 2
89 1 1 . . . . . . . . 1 6 G H1' parsed_1nts 2
89 1 2 . . . . . . . . 1 6 G H3' parsed_1nts 2
90 1 1 . . . . . . . . B 6 PU H1' parsed_1nts 2
90 1 2 . . . . . . . . B 6 PU H3' parsed_1nts 2
91 1 1 . . . . . . . . 1 6 G H1' parsed_1nts 2
91 1 2 . . . . . . . . 1 6 G H4' parsed_1nts 2
92 1 1 . . . . . . . . B 6 PU H1' parsed_1nts 2
92 1 2 . . . . . . . . B 6 PU H4' parsed_1nts 2
93 1 1 . . . . . . . . B 6 PU H1' parsed_1nts 2
93 1 2 . . . . . . . . B 7 PU3' H6 parsed_1nts 2
94 1 1 . . . . . . . . 1 6 G H1' parsed_1nts 2
94 1 2 . . . . . . . . 1 7 A H8 parsed_1nts 2
95 1 1 . . . . . . . . B 6 PU H3' parsed_1nts 2
95 1 2 . . . . . . . . B 6 PU H6 parsed_1nts 2
96 1 1 . . . . . . . . 1 7 A H2 parsed_1nts 2
96 1 2 . . . . . . . . B 4 PC H1' parsed_1nts 2
97 1 1 . . . . . . . . B 7 PU3' H5M2 parsed_1nts 2
97 1 2 . . . . . . . . B 6 PU H3' parsed_1nts 2
98 1 1 . . . . . . . . B 7 PU3' H6 parsed_1nts 2
98 1 2 . . . . . . . . B 6 PU H2'2 parsed_1nts 2
99 1 1 . . . . . . . . B 7 PU3' H6 parsed_1nts 2
99 1 2 . . . . . . . . B 6 PU H2'1 parsed_1nts 2
100 1 1 . . . . . . . . B 7 PU3' H6 parsed_1nts 2
100 1 2 . . . . . . . . B 6 PU H3' parsed_1nts 2
101 1 1 . . . . . . . . B 7 PU3' H6 parsed_1nts 2
101 1 2 . . . . . . . . B 7 PU3' H4' parsed_1nts 2
102 1 1 . . . . . . . . 1 7 A H8 parsed_1nts 2
102 1 2 . . . . . . . . 1 6 G H2' parsed_1nts 2
103 1 1 . . . . . . . . 1 7 A H8 parsed_1nts 2
103 1 2 . . . . . . . . 1 6 G H3' parsed_1nts 2
104 1 1 . . . . . . . . 1 7 A H8 parsed_1nts 2
104 1 2 . . . . . . . . 1 7 A H1' parsed_1nts 2
105 1 1 . . . . . . . . 1 7 A H8 parsed_1nts 2
105 1 2 . . . . . . . . 1 7 A H4' parsed_1nts 2
106 1 1 . . . . . . . . 1 7 A H1' parsed_1nts 2
106 1 2 . . . . . . . . 1 7 A H4' parsed_1nts 2
107 1 1 . . . . . . . . 1 7 A H1' parsed_1nts 2
107 1 2 . . . . . . . . 1 6 G H2' parsed_1nts 2
108 1 1 . . . . . . . . B 7 PU3' H1' parsed_1nts 2
108 1 2 . . . . . . . . B 7 PU3' H6 parsed_1nts 2
109 1 1 . . . . . . . . 1 7 A H1' parsed_1nts 2
109 1 2 . . . . . . . . 1 7 A H2' parsed_1nts 2
110 1 1 . . . . . . . . B 7 PU3' H1' parsed_1nts 2
110 1 2 . . . . . . . . B 7 PU3' H2'1 parsed_1nts 2
111 1 1 . . . . . . . . 1 7 A H1' parsed_1nts 2
111 1 2 . . . . . . . . 1 7 A H3' parsed_1nts 2
112 1 1 . . . . . . . . B 7 PU3' H1' parsed_1nts 2
112 1 2 . . . . . . . . B 7 PU3' H4' parsed_1nts 2
113 1 1 . . . . . . . . 1 7 A H1' parsed_1nts 2
113 1 2 . . . . . . . . 1 8 G H8 parsed_1nts 2
114 1 1 . . . . . . . . B 7 PU3' H3' parsed_1nts 2
114 1 2 . . . . . . . . B 7 PU3' H6 parsed_1nts 2
115 1 1 . . . . . . . . 1 7 A H3' parsed_1nts 2
115 1 2 . . . . . . . . 1 7 A H8 parsed_1nts 2
116 1 1 . . . . . . . . 1 8 G H8 parsed_1nts 2
116 1 2 . . . . . . . . 1 7 A H2' parsed_1nts 2
117 1 1 . . . . . . . . 1 8 G H8 parsed_1nts 2
117 1 2 . . . . . . . . 1 7 A H3' parsed_1nts 2
118 1 1 . . . . . . . . 1 8 G H8 parsed_1nts 2
118 1 2 . . . . . . . . 1 8 G H1' parsed_1nts 2
119 1 1 . . . . . . . . 1 8 G H8 parsed_1nts 2
119 1 2 . . . . . . . . 1 8 G H2' parsed_1nts 2
120 1 1 . . . . . . . . 1 8 G H8 parsed_1nts 2
120 1 2 . . . . . . . . 1 8 G H3' parsed_1nts 2
121 1 1 . . . . . . . . 1 8 G H1' parsed_1nts 2
121 1 2 . . . . . . . . 1 7 A H2 parsed_1nts 2
122 1 1 . . . . . . . . 1 8 G H1' parsed_1nts 2
122 1 2 . . . . . . . . 1 8 G H4' parsed_1nts 2
123 1 1 . . . . . . . . 1 8 G H2' parsed_1nts 2
123 1 2 . . . . . . . . 1 8 G H1' parsed_1nts 2
124 1 1 . . . . . . . . 1 9 G H8 parsed_1nts 2
124 1 2 . . . . . . . . 1 8 G H1' parsed_1nts 2
125 1 1 . . . . . . . . 1 9 G H8 parsed_1nts 2
125 1 2 . . . . . . . . 1 8 G H2' parsed_1nts 2
126 1 1 . . . . . . . . 1 9 G H8 parsed_1nts 2
126 1 2 . . . . . . . . 1 8 G H3' parsed_1nts 2
127 1 1 . . . . . . . . 1 9 G H8 parsed_1nts 2
127 1 2 . . . . . . . . 1 9 G H3' parsed_1nts 2
128 1 1 . . . . . . . . 1 9 G H8 parsed_1nts 2
128 1 2 . . . . . . . . 1 9 G H4' parsed_1nts 2
129 1 1 . . . . . . . . 1 9 G H1' parsed_1nts 2
129 1 2 . . . . . . . . 1 9 G H8 parsed_1nts 2
130 1 1 . . . . . . . . 1 9 G H1' parsed_1nts 2
130 1 2 . . . . . . . . 1 9 G H3' parsed_1nts 2
131 1 1 . . . . . . . . 1 9 G H1' parsed_1nts 2
131 1 2 . . . . . . . . 1 9 G H4' parsed_1nts 2
132 1 1 . . . . . . . . 1 9 G H1' parsed_1nts 2
132 1 2 . . . . . . . . 1 10 A H8 parsed_1nts 2
133 1 1 . . . . . . . . 1 9 G H2' parsed_1nts 2
133 1 2 . . . . . . . . 1 9 G H1' parsed_1nts 2
134 1 1 . . . . . . . . 1 9 G H2' parsed_1nts 2
134 1 2 . . . . . . . . 1 10 A H8 parsed_1nts 2
135 1 1 . . . . . . . . 1 9 G H3' parsed_1nts 2
135 1 2 . . . . . . . . 1 10 A H8 parsed_1nts 2
136 1 1 . . . . . . . . 1 10 A H8 parsed_1nts 2
136 1 2 . . . . . . . . 1 10 A H1' parsed_1nts 2
137 1 1 . . . . . . . . 1 10 A H8 parsed_1nts 2
137 1 2 . . . . . . . . 1 10 A H3' parsed_1nts 2
138 1 1 . . . . . . . . 1 10 A H1' parsed_1nts 2
138 1 2 . . . . . . . . 1 10 A H3' parsed_1nts 2
139 1 1 . . . . . . . . 1 10 A H2' parsed_1nts 2
139 1 2 . . . . . . . . 1 10 A H1' parsed_1nts 2
140 1 1 . . . . . . . . 1 3 A H8 parsed_1nts 2
140 1 2 . . . . . . . . 1 2 A H2' parsed_1nts 2
141 1 1 . . . . . . . . 1 3 A H8 parsed_1nts 2
141 1 2 . . . . . . . . 1 3 A H3' parsed_1nts 2
142 1 1 . . . . . . . . 1 7 A H8 parsed_1nts 2
142 1 2 . . . . . . . . 1 6 G H1' parsed_1nts 2
143 1 1 . . . . . . . . 1 8 G H8 parsed_1nts 2
143 1 2 . . . . . . . . 1 8 G H4' parsed_1nts 2
144 1 1 . . . . . . . . 1 9 G H1' parsed_1nts 2
144 1 2 . . . . . . . . 1 8 G H2' parsed_1nts 2
145 1 1 . . . . . . . . 1 9 G H8 parsed_1nts 2
145 1 2 . . . . . . . . 1 8 G H3' parsed_1nts 2
146 1 1 . . . . . . . . B 2 PC H1' parsed_1nts 2
146 1 2 . . . . . . . . B 3 PU H6 parsed_1nts 2
147 1 1 . . . . . . . . B 2 PC H6 parsed_1nts 2
147 1 2 . . . . . . . . B 2 PC H1' parsed_1nts 2
148 1 1 . . . . . . . . B 5 PC H3' parsed_1nts 2
148 1 2 . . . . . . . . B 6 PU H6 parsed_1nts 2
149 1 1 . . . . . . . . B 5 PC H6 parsed_1nts 2
149 1 2 . . . . . . . . B 4 PC H2'2 parsed_1nts 2
150 1 1 . . . . . . . . B 3 PU H6 parsed_1nts 2
150 1 2 . . . . . . . . B 2 PC H2'1 parsed_1nts 2
151 1 1 . . . . . . . . B 6 PU H6 parsed_1nts 2
151 1 2 . . . . . . . . B 6 PU H4' parsed_1nts 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 . . . . . . 1.736 3.224 parsed_1nts 2
2 1 . . . . . . 2.478 4.602 parsed_1nts 2
3 1 . . . . . . 1.497 2.780 parsed_1nts 2
4 1 . . . . . . 2.296 4.263 parsed_1nts 2
5 1 . . . . . . 2.917 5.417 parsed_1nts 2
6 1 . . . . . . 2.924 5.430 parsed_1nts 2
7 1 . . . . . . 1.778 3.302 parsed_1nts 2
8 1 . . . . . . 2.086 3.874 parsed_1nts 2
9 1 . . . . . . 2.211 4.107 parsed_1nts 2
10 1 . . . . . . 2.636 4.895 parsed_1nts 2
11 1 . . . . . . 1.971 3.660 parsed_1nts 2
12 1 . . . . . . 1.465 2.720 parsed_1nts 2
13 1 . . . . . . 2.160 4.012 parsed_1nts 2
14 1 . . . . . . 2.988 5.549 parsed_1nts 2
15 1 . . . . . . 2.788 5.177 parsed_1nts 2
16 1 . . . . . . 2.351 4.366 parsed_1nts 2
17 1 . . . . . . 1.926 3.577 parsed_1nts 2
18 1 . . . . . . 1.564 2.905 parsed_1nts 2
19 1 . . . . . . 2.556 4.747 parsed_1nts 2
20 1 . . . . . . 2.173 4.035 parsed_1nts 2
21 1 . . . . . . 2.965 5.506 parsed_1nts 2
22 1 . . . . . . 2.093 3.887 parsed_1nts 2
23 1 . . . . . . 1.467 2.724 parsed_1nts 2
24 1 . . . . . . 1.953 3.627 parsed_1nts 2
25 1 . . . . . . 2.800 5.201 parsed_1nts 2
26 1 . . . . . . 2.459 4.567 parsed_1nts 2
27 1 . . . . . . 2.489 4.623 parsed_1nts 2
28 1 . . . . . . 2.866 5.322 parsed_1nts 2
29 1 . . . . . . 2.545 4.726 parsed_1nts 2
30 1 . . . . . . 2.213 4.111 parsed_1nts 2
31 1 . . . . . . 2.667 4.954 parsed_1nts 2
32 1 . . . . . . 2.550 4.736 parsed_1nts 2
33 1 . . . . . . 1.746 3.242 parsed_1nts 2
34 1 . . . . . . 1.728 3.210 parsed_1nts 2
35 1 . . . . . . 2.486 4.616 parsed_1nts 2
36 1 . . . . . . 2.546 4.728 parsed_1nts 2
37 1 . . . . . . 2.391 4.440 parsed_1nts 2
38 1 . . . . . . 1.728 3.209 parsed_1nts 2
39 1 . . . . . . 2.715 5.041 parsed_1nts 2
40 1 . . . . . . 2.674 4.965 parsed_1nts 2
41 1 . . . . . . 1.809 3.359 parsed_1nts 2
42 1 . . . . . . 2.718 5.048 parsed_1nts 2
43 1 . . . . . . 2.109 3.916 parsed_1nts 2
44 1 . . . . . . 2.952 5.483 parsed_1nts 2
45 1 . . . . . . 1.909 3.544 parsed_1nts 2
46 1 . . . . . . 1.689 3.136 parsed_1nts 2
47 1 . . . . . . 2.670 4.959 parsed_1nts 2
48 1 . . . . . . 3.020 5.608 parsed_1nts 2
49 1 . . . . . . 3.343 6.000 parsed_1nts 2
50 1 . . . . . . 1.747 3.245 parsed_1nts 2
51 1 . . . . . . 2.514 4.669 parsed_1nts 2
52 1 . . . . . . 2.267 4.211 parsed_1nts 2
53 1 . . . . . . 1.476 2.742 parsed_1nts 2
54 1 . . . . . . 2.724 5.059 parsed_1nts 2
55 1 . . . . . . 2.083 3.869 parsed_1nts 2
56 1 . . . . . . 1.631 3.030 parsed_1nts 2
57 1 . . . . . . 2.280 4.234 parsed_1nts 2
58 1 . . . . . . 2.685 4.986 parsed_1nts 2
59 1 . . . . . . 2.402 4.461 parsed_1nts 2
60 1 . . . . . . 1.917 3.560 parsed_1nts 2
61 1 . . . . . . 2.315 4.299 parsed_1nts 2
62 1 . . . . . . 2.298 4.268 parsed_1nts 2
63 1 . . . . . . 2.710 5.033 parsed_1nts 2
64 1 . . . . . . 2.681 4.978 parsed_1nts 2
65 1 . . . . . . 1.641 3.048 parsed_1nts 2
66 1 . . . . . . 2.546 4.729 parsed_1nts 2
67 1 . . . . . . 3.036 5.639 parsed_1nts 2
68 1 . . . . . . 2.211 4.107 parsed_1nts 2
69 1 . . . . . . 2.296 4.263 parsed_1nts 2
70 1 . . . . . . 1.740 3.232 parsed_1nts 2
71 1 . . . . . . 1.979 3.676 parsed_1nts 2
72 1 . . . . . . 2.035 3.779 parsed_1nts 2
73 1 . . . . . . 2.237 4.154 parsed_1nts 2
74 1 . . . . . . 1.523 2.828 parsed_1nts 2
75 1 . . . . . . 1.660 3.083 parsed_1nts 2
76 1 . . . . . . 2.395 4.447 parsed_1nts 2
77 1 . . . . . . 2.876 5.341 parsed_1nts 2
78 1 . . . . . . 1.652 3.068 parsed_1nts 2
79 1 . . . . . . 1.873 3.479 parsed_1nts 2
80 1 . . . . . . 2.682 4.981 parsed_1nts 2
81 1 . . . . . . 2.413 4.481 parsed_1nts 2
82 1 . . . . . . 1.903 3.534 parsed_1nts 2
83 1 . . . . . . 2.413 4.481 parsed_1nts 2
84 1 . . . . . . 2.439 4.530 parsed_1nts 2
85 1 . . . . . . 2.787 5.175 parsed_1nts 2
86 1 . . . . . . 1.839 3.415 parsed_1nts 2
87 1 . . . . . . 1.678 3.117 parsed_1nts 2
88 1 . . . . . . 1.955 3.630 parsed_1nts 2
89 1 . . . . . . 2.421 4.496 parsed_1nts 2
90 1 . . . . . . 2.884 5.355 parsed_1nts 2
91 1 . . . . . . 2.460 4.569 parsed_1nts 2
92 1 . . . . . . 2.699 5.013 parsed_1nts 2
93 1 . . . . . . 3.553 6.000 parsed_1nts 2
94 1 . . . . . . 3.350 6.000 parsed_1nts 2
95 1 . . . . . . 2.631 4.886 parsed_1nts 2
96 1 . . . . . . 2.312 4.294 parsed_1nts 2
97 1 . . . . . . 2.106 3.911 parsed_1nts 2
98 1 . . . . . . 1.807 3.355 parsed_1nts 2
99 1 . . . . . . 1.337 2.482 parsed_1nts 2
100 1 . . . . . . 2.840 5.274 parsed_1nts 2
101 1 . . . . . . 3.168 5.884 parsed_1nts 2
102 1 . . . . . . 1.679 3.118 parsed_1nts 2
103 1 . . . . . . 2.464 4.575 parsed_1nts 2
104 1 . . . . . . 3.029 5.625 parsed_1nts 2
105 1 . . . . . . 3.373 6.000 parsed_1nts 2
106 1 . . . . . . 2.729 5.068 parsed_1nts 2
107 1 . . . . . . 3.536 6.000 parsed_1nts 2
108 1 . . . . . . 2.504 4.650 parsed_1nts 2
109 1 . . . . . . 2.083 3.869 parsed_1nts 2
110 1 . . . . . . 1.460 2.712 parsed_1nts 2
111 1 . . . . . . 2.560 4.755 parsed_1nts 2
112 1 . . . . . . 2.840 5.274 parsed_1nts 2
113 1 . . . . . . 3.200 5.942 parsed_1nts 2
114 1 . . . . . . 1.970 3.659 parsed_1nts 2
115 1 . . . . . . 2.296 4.263 parsed_1nts 2
116 1 . . . . . . 1.703 3.162 parsed_1nts 2
117 1 . . . . . . 3.016 5.601 parsed_1nts 2
118 1 . . . . . . 3.222 5.984 parsed_1nts 2
119 1 . . . . . . 2.395 4.447 parsed_1nts 2
120 1 . . . . . . 2.109 3.916 parsed_1nts 2
121 1 . . . . . . 1.999 3.712 parsed_1nts 2
122 1 . . . . . . 2.425 4.503 parsed_1nts 2
123 1 . . . . . . 1.740 3.231 parsed_1nts 2
124 1 . . . . . . 3.138 5.829 parsed_1nts 2
125 1 . . . . . . 1.627 3.021 parsed_1nts 2
126 1 . . . . . . 2.592 4.814 parsed_1nts 2
127 1 . . . . . . 1.971 3.660 parsed_1nts 2
128 1 . . . . . . 2.233 4.146 parsed_1nts 2
129 1 . . . . . . 2.992 5.556 parsed_1nts 2
130 1 . . . . . . 2.504 4.651 parsed_1nts 2
131 1 . . . . . . 2.318 4.304 parsed_1nts 2
132 1 . . . . . . 3.155 5.860 parsed_1nts 2
133 1 . . . . . . 1.706 3.168 parsed_1nts 2
134 1 . . . . . . 1.719 3.192 parsed_1nts 2
135 1 . . . . . . 1.887 3.504 parsed_1nts 2
136 1 . . . . . . 2.992 5.556 parsed_1nts 2
137 1 . . . . . . 1.919 3.564 parsed_1nts 2
138 1 . . . . . . 3.014 5.598 parsed_1nts 2
139 1 . . . . . . 1.786 3.317 parsed_1nts 2
140 1 . . . . . . 0.000 5.000 parsed_1nts 2
141 1 . . . . . . 0.000 5.000 parsed_1nts 2
142 1 . . . . . . 3.350 6.000 parsed_1nts 2
143 1 . . . . . . 0.000 5.000 parsed_1nts 2
144 1 . . . . . . 0.000 5.000 parsed_1nts 2
145 1 . . . . . . 0.000 5.000 parsed_1nts 2
146 1 . . . . . . 0.000 5.000 parsed_1nts 2
147 1 . . . . . . 0.000 5.000 parsed_1nts 2
148 1 . . . . . . 0.000 5.000 parsed_1nts 2
149 1 . . . . . . 1.672 3.105 parsed_1nts 2
150 1 . . . . . . 0.000 5.000 parsed_1nts 2
151 1 . . . . . . 0.000 5.000 parsed_1nts 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
;
************
STRANDS 1 & 2 TOGETHER
;
1 1 5 1 parsed_1nts 2
2 "2.480 0.30/0.30:" 6 82 6 107 parsed_1nts 2
3 "3.540 0.30/0.30:" 7 82 7 107 parsed_1nts 2
4 "2.138 0.30/0.30:" 8 82 8 107 parsed_1nts 2
5 "3.279 0.30/0.30:" 9 82 9 107 parsed_1nts 2
6 "4.167 0.30/0.30:" 10 82 10 107 parsed_1nts 2
7 "4.177 0.30/0.30:" 11 82 11 107 parsed_1nts 2
8 "2.540 0.30/0.30:" 12 82 12 107 parsed_1nts 2
9 "2.980 0.30/0.30:" 13 82 13 107 parsed_1nts 2
10 "3.159 0.30/0.30:" 14 82 14 107 parsed_1nts 2
11 "3.766 0.30/0.30:" 15 82 15 107 parsed_1nts 2
12 "2.816 0.30/0.30:" 16 82 16 107 parsed_1nts 2
13 "2.092 0.30/0.30:" 17 82 17 107 parsed_1nts 2
14 "3.086 0.30/0.30:" 18 82 18 107 parsed_1nts 2
15 "4.269 0.30/0.30:" 19 82 19 107 parsed_1nts 2
16 "3.982 0.30/0.30:" 20 82 20 107 parsed_1nts 2
17 "3.358 0.30/0.30:" 21 82 21 107 parsed_1nts 2
18 "2.751 0.30/0.30:" 22 82 22 107 parsed_1nts 2
19 "2.234 0.30/0.30:" 23 82 23 107 parsed_1nts 2
20 "3.652 0.30/0.30:" 24 82 24 107 parsed_1nts 2
21 "3.104 0.30/0.30:" 25 82 25 107 parsed_1nts 2
22 "4.236 0.30/0.30:" 26 82 26 107 parsed_1nts 2
23 "2.990 0.30/0.30:" 27 82 27 107 parsed_1nts 2
24 "2.096 0.30/0.30:" 28 82 28 107 parsed_1nts 2
25 "2.790 0.30/0.30:" 29 82 29 107 parsed_1nts 2
26 "4.000 0.30/0.30:" 30 82 30 107 parsed_1nts 2
27 "3.513 0.30/0.30:" 31 82 31 107 parsed_1nts 2
28 "3.556 0.30/0.30:" 32 82 32 107 parsed_1nts 2
29 "4.094 0.30/0.30:" 33 82 33 107 parsed_1nts 2
30 "3.635 0.30/0.30:" 34 82 34 107 parsed_1nts 2
31 "3.162 0.30/0.30:" 35 82 35 107 parsed_1nts 2
32 "3.811 0.30/0.30:" 36 82 36 107 parsed_1nts 2
33 "3.643 0.30/0.30:" 37 82 37 107 parsed_1nts 2
34 "2.494 0.30/0.30:" 38 82 38 107 parsed_1nts 2
35 "2.469 0.30/0.30:" 39 82 39 107 parsed_1nts 2
36 "3.551 0.30/0.30:" 40 82 40 107 parsed_1nts 2
37 "3.637 0.30/0.30:" 41 82 41 107 parsed_1nts 2
38 "3.416 0.30/0.30:" 42 82 42 107 parsed_1nts 2
39 "2.468 0.30/0.30:" 43 82 43 107 parsed_1nts 2
40 "3.878 0.30/0.30:" 44 82 44 107 parsed_1nts 2
41 "3.819 0.30/0.30:" 45 82 45 107 parsed_1nts 2
42 "2.584 0.30/0.30:" 46 82 46 107 parsed_1nts 2
43 "3.883 0.30/0.30:" 47 82 47 107 parsed_1nts 2
44 "3.012 0.30/0.30:" 48 82 48 107 parsed_1nts 2
45 "4.218 0.30/0.30:" 49 82 49 107 parsed_1nts 2
46 "2.727 0.30/0.30:" 50 82 50 107 parsed_1nts 2
47 "2.413 0.30/0.30:" 51 82 51 107 parsed_1nts 2
48 "3.815 0.30/0.30:" 52 82 52 107 parsed_1nts 2
49 "4.314 0.30/0.30:" 53 82 53 107 parsed_1nts 2
50 "4.775 0.30/0.30:" 54 82 54 107 parsed_1nts 2
51 "2.496 0.30/0.30:" 55 82 55 107 parsed_1nts 2
52 "3.591 0.30/0.30:" 56 82 56 107 parsed_1nts 2
53 "3.239 0.30/0.30:" 57 82 57 107 parsed_1nts 2
54 "2.109 0.30/0.30:" 58 82 58 107 parsed_1nts 2
55 "3.892 0.30/0.30:" 59 82 59 107 parsed_1nts 2
56 "2.976 0.30/0.30:" 60 82 60 107 parsed_1nts 2
57 "2.331 0.30/0.30:" 61 82 61 107 parsed_1nts 2
58 "3.257 0.30/0.30:" 62 82 62 107 parsed_1nts 2
59 "3.835 0.30/0.30:" 63 82 63 107 parsed_1nts 2
60 "3.431 0.30/0.30:" 64 82 64 107 parsed_1nts 2
61 "2.738 0.30/0.30:" 65 82 65 107 parsed_1nts 2
62 "3.307 0.30/0.30:" 66 82 66 107 parsed_1nts 2
63 "3.283 0.30/0.30:" 67 82 67 107 parsed_1nts 2
64 "3.872 0.30/0.30:" 68 82 68 107 parsed_1nts 2
65 "3.830 0.30/0.30:" 69 82 69 107 parsed_1nts 2
66 "2.345 0.30/0.30:" 70 82 70 107 parsed_1nts 2
67 "3.637 0.30/0.30:" 71 82 71 107 parsed_1nts 2
68 "4.338 0.30/0.30:" 72 82 72 107 parsed_1nts 2
69 "3.159 0.30/0.30:" 73 82 73 107 parsed_1nts 2
70 "3.279 0.30/0.30:" 74 82 74 107 parsed_1nts 2
71 "2.486 0.30/0.30:" 75 82 75 107 parsed_1nts 2
72 "2.828 0.30/0.30:" 76 82 76 107 parsed_1nts 2
73 "2.907 0.30/0.30:" 77 82 77 107 parsed_1nts 2
74 "3.196 0.30/0.30:" 78 82 78 107 parsed_1nts 2
75 "2.175 0.30/0.30:" 79 82 79 107 parsed_1nts 2
76 "2.371 0.30/0.30:" 80 82 80 107 parsed_1nts 2
77 "3.421 0.30/0.30:" 81 82 81 107 parsed_1nts 2
78 "4.108 0.30/0.30:" 82 82 82 107 parsed_1nts 2
79 "2.360 0.30/0.30:" 83 82 83 107 parsed_1nts 2
80 "2.676 0.30/0.30:" 84 82 84 107 parsed_1nts 2
81 "3.832 0.30/0.30:" 85 82 85 107 parsed_1nts 2
82 "3.447 0.30/0.30:" 86 82 86 107 parsed_1nts 2
83 "2.718 0.30/0.30:" 87 82 87 107 parsed_1nts 2
84 "3.447 0.30/0.30:" 88 82 88 107 parsed_1nts 2
85 "3.485 0.30/0.30:" 89 82 89 107 parsed_1nts 2
86 "3.981 0.30/0.30:" 90 82 90 107 parsed_1nts 2
87 "2.627 0.30/0.30:" 91 82 91 107 parsed_1nts 2
88 "2.398 0.30/0.30:" 92 82 92 107 parsed_1nts 2
89 "2.793 0.30/0.30:" 93 82 93 107 parsed_1nts 2
90 "3.458 0.30/0.30:" 94 82 94 107 parsed_1nts 2
91 "4.119 0.30/0.30:" 95 82 95 107 parsed_1nts 2
92 "3.514 0.30/0.30:" 96 82 96 107 parsed_1nts 2
93 "3.856 0.30/0.30:" 97 82 97 107 parsed_1nts 2
94 "5.076 0.30/0.30:" 98 82 98 107 parsed_1nts 2
95 "4.786 0.30/0.30:" 99 82 99 107 parsed_1nts 2
96 "3.759 0.30/0.30:" 100 82 100 107 parsed_1nts 2
97 "3.303 0.30/0.30:" 101 82 101 107 parsed_1nts 2
98 "3.008 0.30/0.30:" 102 82 102 107 parsed_1nts 2
99 "2.581 0.30/0.30:" 103 82 103 107 parsed_1nts 2
100 "1.909 0.30/0.30:" 104 82 104 107 parsed_1nts 2
101 "4.057 0.30/0.30:" 105 82 105 107 parsed_1nts 2
102 "4.526 0.30/0.30:" 106 82 106 107 parsed_1nts 2
103 "2.399 0.30/0.30:" 107 82 107 107 parsed_1nts 2
104 "3.519 0.30/0.30:" 108 82 108 107 parsed_1nts 2
105 "4.327 0.30/0.30:" 109 82 109 107 parsed_1nts 2
106 "4.819 0.30/0.30:" 110 82 110 107 parsed_1nts 2
107 "3.898 0.30/0.30:" 111 82 111 107 parsed_1nts 2
108 "5.052 0.30/0.30:" 112 82 112 107 parsed_1nts 2
109 "3.577 0.30/0.30:" 113 82 113 107 parsed_1nts 2
110 "2.976 0.30/0.30:" 114 82 114 107 parsed_1nts 2
111 "2.086 0.30/0.30:" 115 82 115 107 parsed_1nts 2
112 "3.658 0.30/0.30:" 116 82 116 107 parsed_1nts 2
113 "4.057 0.30/0.30:" 117 82 117 107 parsed_1nts 2
114 "4.571 0.30/0.30:" 118 82 118 107 parsed_1nts 2
115 "2.814 0.30/0.30:" 119 82 119 107 parsed_1nts 2
116 "3.279 0.30/0.30:" 120 82 120 107 parsed_1nts 2
117 "2.432 0.30/0.30:" 121 82 121 107 parsed_1nts 2
118 "4.309 0.30/0.30:" 122 82 122 107 parsed_1nts 2
119 "4.603 0.30/0.30:" 123 82 123 107 parsed_1nts 2
120 "3.421 0.30/0.30:" 124 82 124 107 parsed_1nts 2
121 "3.012 0.30/0.30:" 125 82 125 107 parsed_1nts 2
122 "2.856 0.30/0.30:" 126 82 126 107 parsed_1nts 2
123 "3.464 0.30/0.30:" 127 82 127 107 parsed_1nts 2
124 "2.485 0.30/0.30:" 128 82 128 107 parsed_1nts 2
125 "4.483 0.30/0.30:" 129 82 129 107 parsed_1nts 2
126 "2.324 0.30/0.30:" 130 82 130 107 parsed_1nts 2
127 "3.703 0.30/0.30:" 131 82 131 107 parsed_1nts 2
128 "2.816 0.30/0.30:" 132 82 132 107 parsed_1nts 2
129 "3.189 0.30/0.30:" 133 82 133 107 parsed_1nts 2
130 "4.274 0.30/0.30:" 134 82 134 107 parsed_1nts 2
131 "3.578 0.30/0.30:" 135 82 135 107 parsed_1nts 2
132 "3.311 0.30/0.30:" 136 82 136 107 parsed_1nts 2
133 "4.508 0.30/0.30:" 137 82 137 107 parsed_1nts 2
134 "2.437 0.30/0.30:" 138 82 138 107 parsed_1nts 2
135 "2.456 0.30/0.30:" 139 82 139 107 parsed_1nts 2
136 "2.695 0.30/0.30:" 140 82 140 107 parsed_1nts 2
137 "4.274 0.30/0.30:" 141 82 141 107 parsed_1nts 2
138 "2.741 0.30/0.30:" 142 82 142 107 parsed_1nts 2
139 "4.306 0.30/0.30:" 143 82 143 107 parsed_1nts 2
140 "2.551 0.30/0.30:" 144 82 144 107 parsed_1nts 2
141 "4.786 0.30/0.30" 147 82 147 100 parsed_1nts 2
142 "2.388 0.30/0.30" 154 82 154 100 parsed_1nts 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1nts
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 A O3' 1 3 A P 1 3 A O5' 1 3 A C5' parsed_1nts 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 A O3' 1 4 A P 1 4 A O5' 1 4 A C5' parsed_1nts 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 A O3' 1 5 G P 1 5 G O5' 1 5 G C5' parsed_1nts 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G O3' 1 6 G P 1 6 G O5' 1 6 G C5' parsed_1nts 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G O3' 1 7 A P 1 7 A O5' 1 7 A C5' parsed_1nts 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 A O3' 1 8 G P 1 8 G O5' 1 8 G C5' parsed_1nts 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 G O3' 1 9 G P 1 9 G O5' 1 9 G C5' parsed_1nts 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G O3' 1 10 A P 1 10 A O5' 1 10 A C5' parsed_1nts 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' parsed_1nts 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 A P 1 4 A O5' 1 4 A C5' 1 4 A C4' parsed_1nts 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G P 1 5 G O5' 1 5 G C5' 1 5 G C4' parsed_1nts 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' parsed_1nts 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 A P 1 7 A O5' 1 7 A C5' 1 7 A C4' parsed_1nts 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 G P 1 8 G O5' 1 8 G C5' 1 8 G C4' parsed_1nts 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G P 1 9 G O5' 1 9 G C5' 1 9 G C4' parsed_1nts 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' parsed_1nts 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 2 A O5' 1 2 A C5' 1 2 A C4' 1 2 A C3' parsed_1nts 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' parsed_1nts 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' parsed_1nts 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' parsed_1nts 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' parsed_1nts 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' parsed_1nts 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 8 G O5' 1 8 G C5' 1 8 G C4' 1 8 G C3' parsed_1nts 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 9 G C3' parsed_1nts 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' parsed_1nts 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' parsed_1nts 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1nts 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' parsed_1nts 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' parsed_1nts 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' parsed_1nts 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' parsed_1nts 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 8 G C5' 1 8 G C4' 1 8 G C3' 1 8 G O3' parsed_1nts 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' parsed_1nts 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' parsed_1nts 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 3 A P parsed_1nts 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 A P parsed_1nts 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 5 G P parsed_1nts 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 6 G P parsed_1nts 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 A P parsed_1nts 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 G P parsed_1nts 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 8 G C4' 1 8 G C3' 1 8 G O3' 1 9 G P parsed_1nts 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 10 A P parsed_1nts 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 A C3' 1 2 A O3' 1 3 A P 1 3 A O5' parsed_1nts 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 A C3' 1 3 A O3' 1 4 A P 1 4 A O5' parsed_1nts 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 A C3' 1 4 A O3' 1 5 G P 1 5 G O5' parsed_1nts 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G C3' 1 5 G O3' 1 6 G P 1 6 G O5' parsed_1nts 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G C3' 1 6 G O3' 1 7 A P 1 7 A O5' parsed_1nts 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 A C3' 1 7 A O3' 1 8 G P 1 8 G O5' parsed_1nts 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 G C3' 1 8 G O3' 1 9 G P 1 9 G O5' parsed_1nts 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G C3' 1 9 G O3' 1 10 A P 1 10 A O5' parsed_1nts 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 parsed_1nts 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 parsed_1nts 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 parsed_1nts 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G O4' 1 5 G C1' 1 5 G N9 1 5 G C4 parsed_1nts 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 parsed_1nts 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 parsed_1nts 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 G O4' 1 8 G C1' 1 8 G N9 1 8 G C4 parsed_1nts 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G O4' 1 9 G C1' 1 9 G N9 1 9 G C4 parsed_1nts 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C4 parsed_1nts 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
;
**********************************************
DIHEDRAL RESTRAINTS
**********************************************
NMR_dihedral
alpha (NOT TIGHTLY RESTRAINED) P-O5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
1 1 11 1 parsed_1nts 1
2 "beta (NOT TIGHTLY RESTRAINED) O5'-C5'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 20 1 22 1 parsed_1nts 1
3
;
gamma C5'-C4'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
31 1 34 1 parsed_1nts 1
4
;
delta C4'-C3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO
;
44 1 48 1 parsed_1nts 1
5 "epsilon C3'-O3'; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 58 1 62 1 parsed_1nts 1
6 "zeta O3'-P; first strand (RNA) ONLY RESTRAINED TO C3'ENDO" 71 1 74 1 parsed_1nts 1
7
;
chi Glycosidic torsions; strand 1 (RNA) ONLY RESTRAINED TO C3'ENDO
;
83 1 87 1 parsed_1nts 1
stop_
save_
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