NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
36053 |
1mv6   |
cing | 2-parsed | STAR | entry | full | 244 |
data_1mv6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1mv6
_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_1mv6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1mv6
_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 1mv6 "Master copy" parsed_1mv6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1mv6
_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 1mv6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mv6 1
1 1mv6.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 parsed_1mv6 1
1 1mv6.mr . . DISCOVER 3 distance NOE simple 126 parsed_1mv6 1
1 1mv6.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 100 parsed_1mv6 1
1 1mv6.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mv6 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_1mv6
_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 24-SEP-02 1MV6
*TITLE THE TANDEM, SHEARED PP PAIRS IN 5'(RGGCPPGCCU)2
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*(P5P)P*(P5P)P*GP*CP*CP*U)-3';
*COMPND 3 CHAIN: A, B;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS RIBONUCLEIC ACID, DUPLEX, TANDEM MISMATCH, PURINE
*EXPDTA NMR, 3 STRUCTURES
*AUTHOR B.M.ZNOSKO, M.E.BURKARD, T.R.KRUGH, D.H.TURNER
*REVDAT 1 18-DEC-02 1MV6 0
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1mv6
_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_1mv6 1
2 1 . . . parsed_1mv6 1
3 1 . . . parsed_1mv6 1
4 1 . . . parsed_1mv6 1
5 1 . . . parsed_1mv6 1
6 1 . . . parsed_1mv6 1
7 1 . . . parsed_1mv6 1
8 1 . . . parsed_1mv6 1
9 1 . . . parsed_1mv6 1
10 1 . . . parsed_1mv6 1
11 1 . . . parsed_1mv6 1
12 1 . . . parsed_1mv6 1
13 1 . . . parsed_1mv6 1
14 1 . . . parsed_1mv6 1
15 1 . . . parsed_1mv6 1
16 1 . . . parsed_1mv6 1
17 1 . . . parsed_1mv6 1
18 1 . . . parsed_1mv6 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 G5' H1 parsed_1mv6 1
1 1 2 . . . . . . . . B 8 C N3 parsed_1mv6 1
2 1 1 . . . . . . . . 1 1 G5' O6 parsed_1mv6 1
2 1 2 . . . . . . . . B 8 C H42 parsed_1mv6 1
3 1 1 . . . . . . . . 1 1 G5' H22 parsed_1mv6 1
3 1 2 . . . . . . . . B 8 C O2 parsed_1mv6 1
4 1 1 . . . . . . . . 1 2 G H1 parsed_1mv6 1
4 1 2 . . . . . . . . B 7 C N3 parsed_1mv6 1
5 1 1 . . . . . . . . 1 2 G O6 parsed_1mv6 1
5 1 2 . . . . . . . . B 7 C H42 parsed_1mv6 1
6 1 1 . . . . . . . . 1 2 G H22 parsed_1mv6 1
6 1 2 . . . . . . . . B 7 C O2 parsed_1mv6 1
7 1 1 . . . . . . . . 1 3 C N3 parsed_1mv6 1
7 1 2 . . . . . . . . B 6 G H1 parsed_1mv6 1
8 1 1 . . . . . . . . 1 3 C H42 parsed_1mv6 1
8 1 2 . . . . . . . . B 6 G O6 parsed_1mv6 1
9 1 1 . . . . . . . . 1 3 C O2 parsed_1mv6 1
9 1 2 . . . . . . . . B 6 G H22 parsed_1mv6 1
10 1 1 . . . . . . . . 1 6 G H1 parsed_1mv6 1
10 1 2 . . . . . . . . B 3 C N3 parsed_1mv6 1
11 1 1 . . . . . . . . 1 6 G O6 parsed_1mv6 1
11 1 2 . . . . . . . . B 3 C H42 parsed_1mv6 1
12 1 1 . . . . . . . . 1 6 G H22 parsed_1mv6 1
12 1 2 . . . . . . . . B 3 C O2 parsed_1mv6 1
13 1 1 . . . . . . . . 1 7 C N3 parsed_1mv6 1
13 1 2 . . . . . . . . B 2 G H1 parsed_1mv6 1
14 1 1 . . . . . . . . 1 7 C H42 parsed_1mv6 1
14 1 2 . . . . . . . . B 2 G O6 parsed_1mv6 1
15 1 1 . . . . . . . . 1 7 C O2 parsed_1mv6 1
15 1 2 . . . . . . . . B 2 G H22 parsed_1mv6 1
16 1 1 . . . . . . . . 1 8 C N3 parsed_1mv6 1
16 1 2 . . . . . . . . B 1 G5' H1 parsed_1mv6 1
17 1 1 . . . . . . . . 1 8 C H42 parsed_1mv6 1
17 1 2 . . . . . . . . B 1 G5' O6 parsed_1mv6 1
18 1 1 . . . . . . . . 1 8 C O2 parsed_1mv6 1
18 1 2 . . . . . . . . B 1 G5' H22 parsed_1mv6 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_1mv6 1
2 1 . . . . . . 1.800 2.500 parsed_1mv6 1
3 1 . . . . . . 1.800 2.500 parsed_1mv6 1
4 1 . . . . . . 1.800 2.500 parsed_1mv6 1
5 1 . . . . . . 1.800 2.500 parsed_1mv6 1
6 1 . . . . . . 1.800 2.500 parsed_1mv6 1
7 1 . . . . . . 1.800 2.500 parsed_1mv6 1
8 1 . . . . . . 1.800 2.500 parsed_1mv6 1
9 1 . . . . . . 1.800 2.500 parsed_1mv6 1
10 1 . . . . . . 1.800 2.500 parsed_1mv6 1
11 1 . . . . . . 1.800 2.500 parsed_1mv6 1
12 1 . . . . . . 1.800 2.500 parsed_1mv6 1
13 1 . . . . . . 1.800 2.500 parsed_1mv6 1
14 1 . . . . . . 1.800 2.500 parsed_1mv6 1
15 1 . . . . . . 1.800 2.500 parsed_1mv6 1
16 1 . . . . . . 1.800 2.500 parsed_1mv6 1
17 1 . . . . . . 1.800 2.500 parsed_1mv6 1
18 1 . . . . . . 1.800 2.500 parsed_1mv6 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
The format and some of the numbers in this file were taken from MEB's
G7syn.rstrnt file. Any numbers taken from MEB's file will be noted.
distance
HYDROGEN-BONDING DISTANCES (based on theoretical # and taken from MEB)
;
1 1 10 1 parsed_1mv6 1
2 Hbond 11 87 11 92 parsed_1mv6 1
3 Hbond 12 87 12 92 parsed_1mv6 1
4 Hbond 13 87 13 92 parsed_1mv6 1
5 Hbond 14 87 14 92 parsed_1mv6 1
6 Hbond 15 87 15 92 parsed_1mv6 1
7 Hbond 16 87 16 92 parsed_1mv6 1
8 Hbond 17 87 17 92 parsed_1mv6 1
9 Hbond 18 87 18 92 parsed_1mv6 1
10 Hbond 19 87 19 92 parsed_1mv6 1
11 Hbond 20 87 20 92 parsed_1mv6 1
12 Hbond 21 87 21 92 parsed_1mv6 1
13 Hbond 22 87 22 92 parsed_1mv6 1
14 Hbond 23 87 23 92 parsed_1mv6 1
15 Hbond 24 87 24 92 parsed_1mv6 1
16 Hbond 25 87 25 92 parsed_1mv6 1
17 Hbond 26 87 26 92 parsed_1mv6 1
18 Hbond 27 87 27 92 parsed_1mv6 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1mv6
_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_1mv6 2
2 1 . . . parsed_1mv6 2
3 1 . . . parsed_1mv6 2
4 1 . . . parsed_1mv6 2
5 1 . . . parsed_1mv6 2
6 1 . . . parsed_1mv6 2
7 1 . . . parsed_1mv6 2
8 1 . . . parsed_1mv6 2
9 1 . . . parsed_1mv6 2
10 1 . . . parsed_1mv6 2
11 1 . . . parsed_1mv6 2
12 1 . . . parsed_1mv6 2
13 1 . . . parsed_1mv6 2
14 1 . . . parsed_1mv6 2
15 1 . . . parsed_1mv6 2
16 1 . . . parsed_1mv6 2
17 1 . . . parsed_1mv6 2
18 1 . . . parsed_1mv6 2
19 1 . . . parsed_1mv6 2
20 1 . . . parsed_1mv6 2
21 1 . . . parsed_1mv6 2
22 1 . . . parsed_1mv6 2
23 1 . . . parsed_1mv6 2
24 1 . . . parsed_1mv6 2
25 1 . . . parsed_1mv6 2
26 1 . . . parsed_1mv6 2
27 1 . . . parsed_1mv6 2
28 1 . . . parsed_1mv6 2
29 1 . . . parsed_1mv6 2
30 1 . . . parsed_1mv6 2
31 1 . . . parsed_1mv6 2
32 1 . . . parsed_1mv6 2
33 1 . . . parsed_1mv6 2
34 1 . . . parsed_1mv6 2
35 1 . . . parsed_1mv6 2
36 1 . . . parsed_1mv6 2
37 1 . . . parsed_1mv6 2
38 1 . . . parsed_1mv6 2
39 1 . . . parsed_1mv6 2
40 1 . . . parsed_1mv6 2
41 1 . . . parsed_1mv6 2
42 1 . . . parsed_1mv6 2
43 1 . . . parsed_1mv6 2
44 1 . . . parsed_1mv6 2
45 1 . . . parsed_1mv6 2
46 1 . . . parsed_1mv6 2
47 1 . . . parsed_1mv6 2
48 1 . . . parsed_1mv6 2
49 1 . . . parsed_1mv6 2
50 1 . . . parsed_1mv6 2
51 1 . . . parsed_1mv6 2
52 1 . . . parsed_1mv6 2
53 1 . . . parsed_1mv6 2
54 1 . . . parsed_1mv6 2
55 1 . . . parsed_1mv6 2
56 1 . . . parsed_1mv6 2
57 1 . . . parsed_1mv6 2
58 1 . . . parsed_1mv6 2
59 1 . . . parsed_1mv6 2
60 1 . . . parsed_1mv6 2
61 1 . . . parsed_1mv6 2
62 1 . . . parsed_1mv6 2
63 1 . . . parsed_1mv6 2
64 1 . . . parsed_1mv6 2
65 1 . . . parsed_1mv6 2
66 1 . . . parsed_1mv6 2
67 1 . . . parsed_1mv6 2
68 1 . . . parsed_1mv6 2
69 1 . . . parsed_1mv6 2
70 1 . . . parsed_1mv6 2
71 1 . . . parsed_1mv6 2
72 1 . . . parsed_1mv6 2
73 1 . . . parsed_1mv6 2
74 1 . . . parsed_1mv6 2
75 1 . . . parsed_1mv6 2
76 1 . . . parsed_1mv6 2
77 1 . . . parsed_1mv6 2
78 1 . . . parsed_1mv6 2
79 1 . . . parsed_1mv6 2
80 1 . . . parsed_1mv6 2
81 1 . . . parsed_1mv6 2
82 1 . . . parsed_1mv6 2
83 1 . . . parsed_1mv6 2
84 1 . . . parsed_1mv6 2
85 1 . . . parsed_1mv6 2
86 1 . . . parsed_1mv6 2
87 1 . . . parsed_1mv6 2
88 1 . . . parsed_1mv6 2
89 1 . . . parsed_1mv6 2
90 1 . . . parsed_1mv6 2
91 1 . . . parsed_1mv6 2
92 1 . . . parsed_1mv6 2
93 1 . . . parsed_1mv6 2
94 1 . . . parsed_1mv6 2
95 1 . . . parsed_1mv6 2
96 1 . . . parsed_1mv6 2
97 1 . . . parsed_1mv6 2
98 1 . . . parsed_1mv6 2
99 1 . . . parsed_1mv6 2
100 1 . . . parsed_1mv6 2
101 1 . . . parsed_1mv6 2
102 1 . . . parsed_1mv6 2
103 1 . . . parsed_1mv6 2
104 1 . . . parsed_1mv6 2
105 1 . . . parsed_1mv6 2
106 1 . . . parsed_1mv6 2
107 1 . . . parsed_1mv6 2
108 1 . . . parsed_1mv6 2
109 1 . . . parsed_1mv6 2
110 1 . . . parsed_1mv6 2
111 1 . . . parsed_1mv6 2
112 1 . . . parsed_1mv6 2
113 1 . . . parsed_1mv6 2
114 1 . . . parsed_1mv6 2
115 1 . . . parsed_1mv6 2
116 1 . . . parsed_1mv6 2
117 1 . . . parsed_1mv6 2
118 1 . . . parsed_1mv6 2
119 1 . . . parsed_1mv6 2
120 1 . . . parsed_1mv6 2
121 1 . . . parsed_1mv6 2
122 1 . . . parsed_1mv6 2
123 1 . . . parsed_1mv6 2
124 1 . . . parsed_1mv6 2
125 1 . . . parsed_1mv6 2
126 1 . . . parsed_1mv6 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 . . . . . . . . 1 1 G5' H8 parsed_1mv6 2
1 1 2 . . . . . . . . 1 1 G5' H1' parsed_1mv6 2
2 1 1 . . . . . . . . 1 1 G5' H8 parsed_1mv6 2
2 1 2 . . . . . . . . 1 1 G5' H2' parsed_1mv6 2
3 1 1 . . . . . . . . 1 1 G5' H8 parsed_1mv6 2
3 1 2 . . . . . . . . 1 1 G5' H3' parsed_1mv6 2
4 1 1 . . . . . . . . 1 1 G5' H1' parsed_1mv6 2
4 1 2 . . . . . . . . 1 1 G5' H2' parsed_1mv6 2
5 1 1 . . . . . . . . 1 1 G5' H1' parsed_1mv6 2
5 1 2 . . . . . . . . 1 1 G5' H3' parsed_1mv6 2
6 1 1 . . . . . . . . 1 1 G5' H1' parsed_1mv6 2
6 1 2 . . . . . . . . 1 1 G5' H4' parsed_1mv6 2
7 1 1 . . . . . . . . 1 1 G5' H1' parsed_1mv6 2
7 1 2 . . . . . . . . 1 2 G H8 parsed_1mv6 2
8 1 1 . . . . . . . . 1 1 G5' H2' parsed_1mv6 2
8 1 2 . . . . . . . . 1 1 G5' H3' parsed_1mv6 2
9 1 1 . . . . . . . . 1 2 G H8 parsed_1mv6 2
9 1 2 . . . . . . . . 1 1 G5' H2' parsed_1mv6 2
10 1 1 . . . . . . . . 1 2 G H8 parsed_1mv6 2
10 1 2 . . . . . . . . 1 2 G H1' parsed_1mv6 2
11 1 1 . . . . . . . . 1 2 G H1' parsed_1mv6 2
11 1 2 . . . . . . . . 1 2 G H2' parsed_1mv6 2
12 1 1 . . . . . . . . 1 2 G H4' parsed_1mv6 2
12 1 2 . . . . . . . . 1 2 G H1' parsed_1mv6 2
13 1 1 . . . . . . . . 1 3 C H6 parsed_1mv6 2
13 1 2 . . . . . . . . 1 2 G H2' parsed_1mv6 2
14 1 1 . . . . . . . . 1 3 C H6 parsed_1mv6 2
14 1 2 . . . . . . . . 1 3 C H5 parsed_1mv6 2
15 1 1 . . . . . . . . 1 3 C H6 parsed_1mv6 2
15 1 2 . . . . . . . . 1 3 C H1' parsed_1mv6 2
16 1 1 . . . . . . . . 1 3 C H6 parsed_1mv6 2
16 1 2 . . . . . . . . 1 3 C H3' parsed_1mv6 2
17 1 1 . . . . . . . . 1 3 C H1' parsed_1mv6 2
17 1 2 . . . . . . . . 1 3 C H2' parsed_1mv6 2
18 1 1 . . . . . . . . 1 3 C H3' parsed_1mv6 2
18 1 2 . . . . . . . . 1 4 PUR H8 parsed_1mv6 2
19 1 1 . . . . . . . . 1 4 PUR H8 parsed_1mv6 2
19 1 2 . . . . . . . . 1 4 PUR H1' parsed_1mv6 2
20 1 1 . . . . . . . . 1 4 PUR H8 parsed_1mv6 2
20 1 2 . . . . . . . . 1 4 PUR H2' parsed_1mv6 2
21 1 1 . . . . . . . . 1 4 PUR H8 parsed_1mv6 2
21 1 2 . . . . . . . . 1 4 PUR H3' parsed_1mv6 2
22 1 1 . . . . . . . . 1 4 PUR H1' parsed_1mv6 2
22 1 2 . . . . . . . . 1 4 PUR H2' parsed_1mv6 2
23 1 1 . . . . . . . . 1 4 PUR H1' parsed_1mv6 2
23 1 2 . . . . . . . . 1 4 PUR H3' parsed_1mv6 2
24 1 1 . . . . . . . . 1 4 PUR H1' parsed_1mv6 2
24 1 2 . . . . . . . . 1 4 PUR H4' parsed_1mv6 2
25 1 1 . . . . . . . . 1 5 PUR H2 parsed_1mv6 2
25 1 2 . . . . . . . . 1 6 G H1' parsed_1mv6 2
26 1 1 . . . . . . . . 1 5 PUR H8 parsed_1mv6 2
26 1 2 . . . . . . . . 1 4 PUR H2' parsed_1mv6 2
27 1 1 . . . . . . . . 1 5 PUR H8 parsed_1mv6 2
27 1 2 . . . . . . . . 1 5 PUR H1' parsed_1mv6 2
28 1 1 . . . . . . . . 1 5 PUR H8 parsed_1mv6 2
28 1 2 . . . . . . . . 1 5 PUR H2' parsed_1mv6 2
29 1 1 . . . . . . . . 1 5 PUR H1' parsed_1mv6 2
29 1 2 . . . . . . . . 1 5 PUR H4' parsed_1mv6 2
30 1 1 . . . . . . . . 1 5 PUR H2' parsed_1mv6 2
30 1 2 . . . . . . . . 1 5 PUR H1' parsed_1mv6 2
31 1 1 . . . . . . . . 1 5 PUR H2' parsed_1mv6 2
31 1 2 . . . . . . . . 1 6 G H8 parsed_1mv6 2
32 1 1 . . . . . . . . 1 6 G H8 parsed_1mv6 2
32 1 2 . . . . . . . . 1 5 PUR H3' parsed_1mv6 2
33 1 1 . . . . . . . . 1 6 G H8 parsed_1mv6 2
33 1 2 . . . . . . . . 1 6 G H1' parsed_1mv6 2
34 1 1 . . . . . . . . 1 6 G H8 parsed_1mv6 2
34 1 2 . . . . . . . . 1 6 G H2' parsed_1mv6 2
35 1 1 . . . . . . . . 1 6 G H8 parsed_1mv6 2
35 1 2 . . . . . . . . 1 6 G H3' parsed_1mv6 2
36 1 1 . . . . . . . . 1 6 G H1' parsed_1mv6 2
36 1 2 . . . . . . . . 1 6 G H2' parsed_1mv6 2
37 1 1 . . . . . . . . 1 6 G H1' parsed_1mv6 2
37 1 2 . . . . . . . . 1 6 G H3' parsed_1mv6 2
38 1 1 . . . . . . . . 1 6 G H2' parsed_1mv6 2
38 1 2 . . . . . . . . 1 7 C H6 parsed_1mv6 2
39 1 1 . . . . . . . . 1 7 C H6 parsed_1mv6 2
39 1 2 . . . . . . . . 1 7 C H5 parsed_1mv6 2
40 1 1 . . . . . . . . 1 7 C H6 parsed_1mv6 2
40 1 2 . . . . . . . . 1 7 C H1' parsed_1mv6 2
41 1 1 . . . . . . . . 1 7 C H6 parsed_1mv6 2
41 1 2 . . . . . . . . 1 8 C H5 parsed_1mv6 2
42 1 1 . . . . . . . . 1 7 C H2' parsed_1mv6 2
42 1 2 . . . . . . . . 1 7 C H1' parsed_1mv6 2
43 1 1 . . . . . . . . 1 8 C H6 parsed_1mv6 2
43 1 2 . . . . . . . . 1 8 C H5 parsed_1mv6 2
44 1 1 . . . . . . . . 1 8 C H6 parsed_1mv6 2
44 1 2 . . . . . . . . 1 8 C H3' parsed_1mv6 2
45 1 1 . . . . . . . . 1 8 C H6 parsed_1mv6 2
45 1 2 . . . . . . . . 1 8 C H4' parsed_1mv6 2
46 1 1 . . . . . . . . 1 8 C H1' parsed_1mv6 2
46 1 2 . . . . . . . . 1 8 C H6 parsed_1mv6 2
47 1 1 . . . . . . . . 1 8 C H1' parsed_1mv6 2
47 1 2 . . . . . . . . 1 8 C H2' parsed_1mv6 2
48 1 1 . . . . . . . . 1 8 C H1' parsed_1mv6 2
48 1 2 . . . . . . . . 1 8 C H3' parsed_1mv6 2
49 1 1 . . . . . . . . 1 8 C H1' parsed_1mv6 2
49 1 2 . . . . . . . . 1 9 U3' H6 parsed_1mv6 2
50 1 1 . . . . . . . . 1 8 C H2' parsed_1mv6 2
50 1 2 . . . . . . . . 1 8 C H6 parsed_1mv6 2
51 1 1 . . . . . . . . 1 8 C H3' parsed_1mv6 2
51 1 2 . . . . . . . . 1 9 U3' H6 parsed_1mv6 2
52 1 1 . . . . . . . . 1 9 U3' H6 parsed_1mv6 2
52 1 2 . . . . . . . . 1 9 U3' H5 parsed_1mv6 2
53 1 1 . . . . . . . . 1 9 U3' H6 parsed_1mv6 2
53 1 2 . . . . . . . . 1 9 U3' H2' parsed_1mv6 2
54 1 1 . . . . . . . . 1 9 U3' H6 parsed_1mv6 2
54 1 2 . . . . . . . . 1 8 C H2' parsed_1mv6 2
55 1 1 . . . . . . . . 1 9 U3' H1' parsed_1mv6 2
55 1 2 . . . . . . . . 1 9 U3' H6 parsed_1mv6 2
56 1 1 . . . . . . . . 1 9 U3' H2' parsed_1mv6 2
56 1 2 . . . . . . . . 1 9 U3' H1' parsed_1mv6 2
57 1 1 . . . . . . . . 1 9 U3' H3' parsed_1mv6 2
57 1 2 . . . . . . . . 1 9 U3' H6 parsed_1mv6 2
58 1 1 . . . . . . . . 1 9 U3' H3' parsed_1mv6 2
58 1 2 . . . . . . . . 1 9 U3' H1' parsed_1mv6 2
59 1 1 . . . . . . . . B 1 G5' H8 parsed_1mv6 2
59 1 2 . . . . . . . . B 1 G5' H1' parsed_1mv6 2
60 1 1 . . . . . . . . B 1 G5' H8 parsed_1mv6 2
60 1 2 . . . . . . . . B 1 G5' H2' parsed_1mv6 2
61 1 1 . . . . . . . . B 1 G5' H8 parsed_1mv6 2
61 1 2 . . . . . . . . B 1 G5' H3' parsed_1mv6 2
62 1 1 . . . . . . . . B 1 G5' H1' parsed_1mv6 2
62 1 2 . . . . . . . . B 1 G5' H2' parsed_1mv6 2
63 1 1 . . . . . . . . B 1 G5' H1' parsed_1mv6 2
63 1 2 . . . . . . . . B 1 G5' H3' parsed_1mv6 2
64 1 1 . . . . . . . . B 1 G5' H1' parsed_1mv6 2
64 1 2 . . . . . . . . B 1 G5' H4' parsed_1mv6 2
65 1 1 . . . . . . . . B 1 G5' H1' parsed_1mv6 2
65 1 2 . . . . . . . . B 2 G H8 parsed_1mv6 2
66 1 1 . . . . . . . . B 1 G5' H2' parsed_1mv6 2
66 1 2 . . . . . . . . B 1 G5' H3' parsed_1mv6 2
67 1 1 . . . . . . . . B 2 G H8 parsed_1mv6 2
67 1 2 . . . . . . . . B 1 G5' H2' parsed_1mv6 2
68 1 1 . . . . . . . . B 2 G H8 parsed_1mv6 2
68 1 2 . . . . . . . . B 2 G H1' parsed_1mv6 2
69 1 1 . . . . . . . . B 2 G H1' parsed_1mv6 2
69 1 2 . . . . . . . . B 2 G H2' parsed_1mv6 2
70 1 1 . . . . . . . . B 2 G H4' parsed_1mv6 2
70 1 2 . . . . . . . . B 2 G H1' parsed_1mv6 2
71 1 1 . . . . . . . . B 3 C H6 parsed_1mv6 2
71 1 2 . . . . . . . . B 2 G H2' parsed_1mv6 2
72 1 1 . . . . . . . . B 3 C H6 parsed_1mv6 2
72 1 2 . . . . . . . . B 3 C H5 parsed_1mv6 2
73 1 1 . . . . . . . . B 3 C H6 parsed_1mv6 2
73 1 2 . . . . . . . . B 3 C H1' parsed_1mv6 2
74 1 1 . . . . . . . . B 3 C H6 parsed_1mv6 2
74 1 2 . . . . . . . . B 3 C H3' parsed_1mv6 2
75 1 1 . . . . . . . . B 3 C H1' parsed_1mv6 2
75 1 2 . . . . . . . . B 3 C H2' parsed_1mv6 2
76 1 1 . . . . . . . . B 3 C H3' parsed_1mv6 2
76 1 2 . . . . . . . . B 4 PUR H8 parsed_1mv6 2
77 1 1 . . . . . . . . B 4 PUR H8 parsed_1mv6 2
77 1 2 . . . . . . . . B 4 PUR H1' parsed_1mv6 2
78 1 1 . . . . . . . . B 4 PUR H8 parsed_1mv6 2
78 1 2 . . . . . . . . B 4 PUR H2' parsed_1mv6 2
79 1 1 . . . . . . . . B 4 PUR H8 parsed_1mv6 2
79 1 2 . . . . . . . . B 4 PUR H3' parsed_1mv6 2
80 1 1 . . . . . . . . B 4 PUR H1' parsed_1mv6 2
80 1 2 . . . . . . . . B 4 PUR H2' parsed_1mv6 2
81 1 1 . . . . . . . . B 4 PUR H1' parsed_1mv6 2
81 1 2 . . . . . . . . B 4 PUR H3' parsed_1mv6 2
82 1 1 . . . . . . . . B 4 PUR H1' parsed_1mv6 2
82 1 2 . . . . . . . . B 4 PUR H4' parsed_1mv6 2
83 1 1 . . . . . . . . B 5 PUR H2 parsed_1mv6 2
83 1 2 . . . . . . . . B 6 G H1' parsed_1mv6 2
84 1 1 . . . . . . . . B 5 PUR H8 parsed_1mv6 2
84 1 2 . . . . . . . . B 4 PUR H2' parsed_1mv6 2
85 1 1 . . . . . . . . B 5 PUR H8 parsed_1mv6 2
85 1 2 . . . . . . . . B 5 PUR H1' parsed_1mv6 2
86 1 1 . . . . . . . . B 5 PUR H8 parsed_1mv6 2
86 1 2 . . . . . . . . B 5 PUR H2' parsed_1mv6 2
87 1 1 . . . . . . . . B 5 PUR H1' parsed_1mv6 2
87 1 2 . . . . . . . . B 5 PUR H4' parsed_1mv6 2
88 1 1 . . . . . . . . B 5 PUR H2' parsed_1mv6 2
88 1 2 . . . . . . . . B 5 PUR H1' parsed_1mv6 2
89 1 1 . . . . . . . . B 5 PUR H2' parsed_1mv6 2
89 1 2 . . . . . . . . B 6 G H8 parsed_1mv6 2
90 1 1 . . . . . . . . B 6 G H8 parsed_1mv6 2
90 1 2 . . . . . . . . B 5 PUR H3' parsed_1mv6 2
91 1 1 . . . . . . . . B 6 G H8 parsed_1mv6 2
91 1 2 . . . . . . . . B 6 G H1' parsed_1mv6 2
92 1 1 . . . . . . . . B 6 G H8 parsed_1mv6 2
92 1 2 . . . . . . . . B 6 G H2' parsed_1mv6 2
93 1 1 . . . . . . . . B 6 G H8 parsed_1mv6 2
93 1 2 . . . . . . . . B 6 G H3' parsed_1mv6 2
94 1 1 . . . . . . . . B 6 G H1' parsed_1mv6 2
94 1 2 . . . . . . . . B 6 G H2' parsed_1mv6 2
95 1 1 . . . . . . . . B 6 G H1' parsed_1mv6 2
95 1 2 . . . . . . . . B 6 G H3' parsed_1mv6 2
96 1 1 . . . . . . . . B 6 G H2' parsed_1mv6 2
96 1 2 . . . . . . . . B 7 C H6 parsed_1mv6 2
97 1 1 . . . . . . . . B 7 C H6 parsed_1mv6 2
97 1 2 . . . . . . . . B 7 C H5 parsed_1mv6 2
98 1 1 . . . . . . . . B 7 C H6 parsed_1mv6 2
98 1 2 . . . . . . . . B 7 C H1' parsed_1mv6 2
99 1 1 . . . . . . . . B 7 C H6 parsed_1mv6 2
99 1 2 . . . . . . . . B 8 C H5 parsed_1mv6 2
100 1 1 . . . . . . . . B 7 C H2' parsed_1mv6 2
100 1 2 . . . . . . . . B 7 C H1' parsed_1mv6 2
101 1 1 . . . . . . . . B 8 C H6 parsed_1mv6 2
101 1 2 . . . . . . . . B 8 C H5 parsed_1mv6 2
102 1 1 . . . . . . . . B 8 C H6 parsed_1mv6 2
102 1 2 . . . . . . . . B 8 C H3' parsed_1mv6 2
103 1 1 . . . . . . . . B 8 C H6 parsed_1mv6 2
103 1 2 . . . . . . . . B 8 C H4' parsed_1mv6 2
104 1 1 . . . . . . . . B 8 C H1' parsed_1mv6 2
104 1 2 . . . . . . . . B 8 C H6 parsed_1mv6 2
105 1 1 . . . . . . . . B 8 C H1' parsed_1mv6 2
105 1 2 . . . . . . . . B 8 C H2' parsed_1mv6 2
106 1 1 . . . . . . . . B 8 C H1' parsed_1mv6 2
106 1 2 . . . . . . . . B 8 C H3' parsed_1mv6 2
107 1 1 . . . . . . . . B 8 C H1' parsed_1mv6 2
107 1 2 . . . . . . . . B 9 U3' H6 parsed_1mv6 2
108 1 1 . . . . . . . . B 8 C H2' parsed_1mv6 2
108 1 2 . . . . . . . . B 8 C H6 parsed_1mv6 2
109 1 1 . . . . . . . . B 8 C H3' parsed_1mv6 2
109 1 2 . . . . . . . . B 9 U3' H6 parsed_1mv6 2
110 1 1 . . . . . . . . B 9 U3' H6 parsed_1mv6 2
110 1 2 . . . . . . . . B 9 U3' H5 parsed_1mv6 2
111 1 1 . . . . . . . . B 9 U3' H6 parsed_1mv6 2
111 1 2 . . . . . . . . B 9 U3' H2' parsed_1mv6 2
112 1 1 . . . . . . . . B 9 U3' H6 parsed_1mv6 2
112 1 2 . . . . . . . . B 8 C H2' parsed_1mv6 2
113 1 1 . . . . . . . . B 9 U3' H1' parsed_1mv6 2
113 1 2 . . . . . . . . B 9 U3' H6 parsed_1mv6 2
114 1 1 . . . . . . . . B 9 U3' H2' parsed_1mv6 2
114 1 2 . . . . . . . . B 9 U3' H1' parsed_1mv6 2
115 1 1 . . . . . . . . B 9 U3' H3' parsed_1mv6 2
115 1 2 . . . . . . . . B 9 U3' H6 parsed_1mv6 2
116 1 1 . . . . . . . . B 9 U3' H3' parsed_1mv6 2
116 1 2 . . . . . . . . B 9 U3' H1' parsed_1mv6 2
117 1 1 . . . . . . . . 1 4 PUR H2 parsed_1mv6 2
117 1 2 . . . . . . . . B 5 PUR H6 parsed_1mv6 2
118 1 1 . . . . . . . . B 4 PUR H2 parsed_1mv6 2
118 1 2 . . . . . . . . 1 5 PUR H6 parsed_1mv6 2
119 1 1 . . . . . . . . 1 4 PUR H1' parsed_1mv6 2
119 1 2 . . . . . . . . B 5 PUR H6 parsed_1mv6 2
120 1 1 . . . . . . . . B 4 PUR H1' parsed_1mv6 2
120 1 2 . . . . . . . . 1 5 PUR H6 parsed_1mv6 2
121 1 1 . . . . . . . . 1 5 PUR H6 parsed_1mv6 2
121 1 2 . . . . . . . . B 4 PUR H2' parsed_1mv6 2
122 1 1 . . . . . . . . B 5 PUR H6 parsed_1mv6 2
122 1 2 . . . . . . . . 1 4 PUR H2' parsed_1mv6 2
123 1 1 . . . . . . . . 1 5 PUR H1' parsed_1mv6 2
123 1 2 . . . . . . . . B 5 PUR H2 parsed_1mv6 2
124 1 1 . . . . . . . . B 5 PUR H1' parsed_1mv6 2
124 1 2 . . . . . . . . 1 5 PUR H2 parsed_1mv6 2
125 1 1 . . . . . . . . 1 5 PUR H6 parsed_1mv6 2
125 1 2 . . . . . . . . B 5 PUR H8 parsed_1mv6 2
126 1 1 . . . . . . . . B 5 PUR H6 parsed_1mv6 2
126 1 2 . . . . . . . . 1 5 PUR H8 parsed_1mv6 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 . . . . . . 2.693 5.002 parsed_1mv6 2
2 1 . . . . . . 2.872 5.333 parsed_1mv6 2
3 1 . . . . . . 2.359 4.381 parsed_1mv6 2
4 1 . . . . . . 1.883 3.497 parsed_1mv6 2
5 1 . . . . . . 2.853 5.299 parsed_1mv6 2
6 1 . . . . . . 2.703 5.020 parsed_1mv6 2
7 1 . . . . . . 2.857 5.306 parsed_1mv6 2
8 1 . . . . . . 1.574 2.922 parsed_1mv6 2
9 1 . . . . . . 1.678 3.117 parsed_1mv6 2
10 1 . . . . . . 2.510 4.662 parsed_1mv6 2
11 1 . . . . . . 1.822 3.383 parsed_1mv6 2
12 1 . . . . . . 2.880 5.348 parsed_1mv6 2
13 1 . . . . . . 1.734 3.220 parsed_1mv6 2
14 1 . . . . . . 1.746 3.243 parsed_1mv6 2
15 1 . . . . . . 2.572 4.776 parsed_1mv6 2
16 1 . . . . . . 2.379 4.419 parsed_1mv6 2
17 1 . . . . . . 2.362 4.386 parsed_1mv6 2
18 1 . . . . . . 2.305 3.841 parsed_1mv6 2
19 1 . . . . . . 3.007 5.011 parsed_1mv6 2
20 1 . . . . . . 2.494 4.156 parsed_1mv6 2
21 1 . . . . . . 2.252 3.754 parsed_1mv6 2
22 1 . . . . . . 2.014 3.356 parsed_1mv6 2
23 1 . . . . . . 3.310 5.516 parsed_1mv6 2
24 1 . . . . . . 3.305 5.509 parsed_1mv6 2
25 1 . . . . . . 2.827 4.711 parsed_1mv6 2
26 1 . . . . . . 2.178 3.630 parsed_1mv6 2
27 1 . . . . . . 3.396 5.660 parsed_1mv6 2
28 1 . . . . . . 2.412 4.020 parsed_1mv6 2
29 1 . . . . . . 3.075 5.125 parsed_1mv6 2
30 1 . . . . . . 2.170 3.616 parsed_1mv6 2
31 1 . . . . . . 2.237 3.728 parsed_1mv6 2
32 1 . . . . . . 2.496 4.160 parsed_1mv6 2
33 1 . . . . . . 2.990 5.553 parsed_1mv6 2
34 1 . . . . . . 2.723 5.057 parsed_1mv6 2
35 1 . . . . . . 2.111 3.920 parsed_1mv6 2
36 1 . . . . . . 1.861 3.456 parsed_1mv6 2
37 1 . . . . . . 2.689 4.993 parsed_1mv6 2
38 1 . . . . . . 1.666 3.094 parsed_1mv6 2
39 1 . . . . . . 1.772 3.291 parsed_1mv6 2
40 1 . . . . . . 2.753 5.113 parsed_1mv6 2
41 1 . . . . . . 2.815 5.228 parsed_1mv6 2
42 1 . . . . . . 1.776 3.298 parsed_1mv6 2
43 1 . . . . . . 1.742 3.235 parsed_1mv6 2
44 1 . . . . . . 1.888 3.507 parsed_1mv6 2
45 1 . . . . . . 2.989 5.551 parsed_1mv6 2
46 1 . . . . . . 2.645 4.912 parsed_1mv6 2
47 1 . . . . . . 1.689 3.137 parsed_1mv6 2
48 1 . . . . . . 2.686 4.988 parsed_1mv6 2
49 1 . . . . . . 2.557 4.748 parsed_1mv6 2
50 1 . . . . . . 2.196 4.078 parsed_1mv6 2
51 1 . . . . . . 2.236 4.153 parsed_1mv6 2
52 1 . . . . . . 1.731 3.214 parsed_1mv6 2
53 1 . . . . . . 2.373 4.408 parsed_1mv6 2
54 1 . . . . . . 1.765 3.278 parsed_1mv6 2
55 1 . . . . . . 2.705 5.023 parsed_1mv6 2
56 1 . . . . . . 2.087 3.876 parsed_1mv6 2
57 1 . . . . . . 1.855 3.444 parsed_1mv6 2
58 1 . . . . . . 2.443 4.537 parsed_1mv6 2
59 1 . . . . . . 2.693 5.002 parsed_1mv6 2
60 1 . . . . . . 2.872 5.333 parsed_1mv6 2
61 1 . . . . . . 2.359 4.381 parsed_1mv6 2
62 1 . . . . . . 1.883 3.497 parsed_1mv6 2
63 1 . . . . . . 2.853 5.299 parsed_1mv6 2
64 1 . . . . . . 2.703 5.020 parsed_1mv6 2
65 1 . . . . . . 2.857 5.306 parsed_1mv6 2
66 1 . . . . . . 1.574 2.922 parsed_1mv6 2
67 1 . . . . . . 1.678 3.117 parsed_1mv6 2
68 1 . . . . . . 2.510 4.662 parsed_1mv6 2
69 1 . . . . . . 1.822 3.383 parsed_1mv6 2
70 1 . . . . . . 2.880 5.348 parsed_1mv6 2
71 1 . . . . . . 1.734 3.220 parsed_1mv6 2
72 1 . . . . . . 1.746 3.243 parsed_1mv6 2
73 1 . . . . . . 2.572 4.776 parsed_1mv6 2
74 1 . . . . . . 2.379 4.419 parsed_1mv6 2
75 1 . . . . . . 2.362 4.386 parsed_1mv6 2
76 1 . . . . . . 2.305 3.995 parsed_1mv6 2
77 1 . . . . . . 3.007 5.212 parsed_1mv6 2
78 1 . . . . . . 2.494 4.322 parsed_1mv6 2
79 1 . . . . . . 2.252 3.904 parsed_1mv6 2
80 1 . . . . . . 2.014 3.490 parsed_1mv6 2
81 1 . . . . . . 3.310 5.737 parsed_1mv6 2
82 1 . . . . . . 3.305 5.730 parsed_1mv6 2
83 1 . . . . . . 2.827 4.711 parsed_1mv6 2
84 1 . . . . . . 2.178 3.776 parsed_1mv6 2
85 1 . . . . . . 3.396 5.886 parsed_1mv6 2
86 1 . . . . . . 2.412 4.180 parsed_1mv6 2
87 1 . . . . . . 3.075 5.330 parsed_1mv6 2
88 1 . . . . . . 2.170 3.762 parsed_1mv6 2
89 1 . . . . . . 2.237 3.729 parsed_1mv6 2
90 1 . . . . . . 2.496 4.327 parsed_1mv6 2
91 1 . . . . . . 2.990 5.553 parsed_1mv6 2
92 1 . . . . . . 2.723 5.057 parsed_1mv6 2
93 1 . . . . . . 2.111 3.920 parsed_1mv6 2
94 1 . . . . . . 1.861 3.456 parsed_1mv6 2
95 1 . . . . . . 2.689 4.993 parsed_1mv6 2
96 1 . . . . . . 1.666 3.094 parsed_1mv6 2
97 1 . . . . . . 1.772 3.291 parsed_1mv6 2
98 1 . . . . . . 2.753 5.113 parsed_1mv6 2
99 1 . . . . . . 2.815 5.228 parsed_1mv6 2
100 1 . . . . . . 1.776 3.298 parsed_1mv6 2
101 1 . . . . . . 1.742 3.235 parsed_1mv6 2
102 1 . . . . . . 1.888 3.507 parsed_1mv6 2
103 1 . . . . . . 2.989 5.551 parsed_1mv6 2
104 1 . . . . . . 2.645 4.912 parsed_1mv6 2
105 1 . . . . . . 1.689 3.137 parsed_1mv6 2
106 1 . . . . . . 2.686 4.988 parsed_1mv6 2
107 1 . . . . . . 2.557 4.748 parsed_1mv6 2
108 1 . . . . . . 2.196 4.078 parsed_1mv6 2
109 1 . . . . . . 2.236 4.153 parsed_1mv6 2
110 1 . . . . . . 1.731 3.214 parsed_1mv6 2
111 1 . . . . . . 2.373 4.408 parsed_1mv6 2
112 1 . . . . . . 1.765 3.278 parsed_1mv6 2
113 1 . . . . . . 2.705 5.023 parsed_1mv6 2
114 1 . . . . . . 2.087 3.876 parsed_1mv6 2
115 1 . . . . . . 1.855 3.444 parsed_1mv6 2
116 1 . . . . . . 2.443 4.537 parsed_1mv6 2
117 1 . . . . . . 2.324 3.873 parsed_1mv6 2
118 1 . . . . . . 2.324 3.873 parsed_1mv6 2
119 1 . . . . . . 2.997 4.994 parsed_1mv6 2
120 1 . . . . . . 2.997 4.994 parsed_1mv6 2
121 1 . . . . . . 2.865 4.775 parsed_1mv6 2
122 1 . . . . . . 2.865 4.775 parsed_1mv6 2
123 1 . . . . . . 2.778 4.630 parsed_1mv6 2
124 1 . . . . . . 2.778 4.630 parsed_1mv6 2
125 1 . . . . . . 3.359 5.599 parsed_1mv6 2
126 1 . . . . . . 3.359 5.599 parsed_1mv6 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
;
strand 1:
distance
;
1 1 4 9 parsed_1mv6 2
2 "3.848 0.30/0.30:" 5 82 5 107 parsed_1mv6 2
3 "4.103 0.30/0.30:" 6 82 6 107 parsed_1mv6 2
4 "3.370 0.30/0.30:" 7 82 7 107 parsed_1mv6 2
5 "2.690 0.30/0.30:" 8 82 8 107 parsed_1mv6 2
6 "4.076 0.30/0.30:" 9 82 9 107 parsed_1mv6 2
7 "3.862 0.30/0.30:" 10 82 10 107 parsed_1mv6 2
8 "4.081 0.30/0.30:" 11 82 11 107 parsed_1mv6 2
9 "2.248 0.30/0.30:" 12 82 12 107 parsed_1mv6 2
10 "2.398 0.30/0.30:" 13 82 13 107 parsed_1mv6 2
11 "3.586 0.30/0.30:" 14 82 14 107 parsed_1mv6 2
12 "2.603 0.30/0.30:" 15 82 15 107 parsed_1mv6 2
13 "4.114 0.30/0.30:" 16 82 16 107 parsed_1mv6 2
14 "2.477 0.30/0.30:" 17 82 17 107 parsed_1mv6 2
15 "2.495 0.30/0.30:" 18 82 18 107 parsed_1mv6 2
16 "3.674 0.30/0.30:" 19 82 19 107 parsed_1mv6 2
17 "3.399 0.30/0.30:" 20 82 20 107 parsed_1mv6 2
18 "3.374 0.30/0.30:" 21 82 21 107 parsed_1mv6 2
19 "3.073 0.25/0.25:" 22 82 22 107 parsed_1mv6 2
20 "4.009 0.25/0.25:" 23 82 23 107 parsed_1mv6 2
21 "3.325 0.25/0.25:" 24 82 24 107 parsed_1mv6 2
22 "3.003 0.25/0.25:" 25 82 25 107 parsed_1mv6 2
23 "2.685 0.25/0.25:" 26 82 26 107 parsed_1mv6 2
24 "4.413 0.25/0.25:" 27 82 27 107 parsed_1mv6 2
25 "4.407 0.25/0.25:" 28 82 28 107 parsed_1mv6 2
26 "3.769 0.25/0.25:" 29 82 29 107 parsed_1mv6 2
27 "2.904 0.25/0.25:" 30 82 30 107 parsed_1mv6 2
28 "4.528 0.25/0.25:" 31 82 31 107 parsed_1mv6 2
29 "3.216 0.25/0.25:" 32 82 32 107 parsed_1mv6 2
30 "4.100 0.25/0.25:" 33 82 33 107 parsed_1mv6 2
31 "2.893 0.25/0.25:" 34 82 34 107 parsed_1mv6 2
32 "2.983 0.25/0.25:" 35 82 35 107 parsed_1mv6 2
33 "3.328 0.25/0.25:" 36 82 36 107 parsed_1mv6 2
34 "4.272 0.30/0.30:" 37 82 37 107 parsed_1mv6 2
35 "3.890 0.30/0.30:" 38 82 38 107 parsed_1mv6 2
36 "3.015 0.30/0.30:" 39 82 39 107 parsed_1mv6 2
37 "2.658 0.30/0.30:" 40 82 40 107 parsed_1mv6 2
38 "3.841 0.30/0.30:" 41 82 41 107 parsed_1mv6 2
39 "2.380 0.30/0.30:" 42 82 42 107 parsed_1mv6 2
40 "2.531 0.30/0.30:" 43 82 43 107 parsed_1mv6 2
41 "3.933 0.30/0.30:" 44 82 44 107 parsed_1mv6 2
42 "4.022 0.30/0.30:" 45 82 45 107 parsed_1mv6 2
43 "2.537 0.30/0.30:" 46 82 46 107 parsed_1mv6 2
44 "2.489 0.30/0.30:" 47 82 47 107 parsed_1mv6 2
45 "2.697 0.30/0.30:" 48 82 48 107 parsed_1mv6 2
46 "4.270 0.30/0.30:" 49 82 49 107 parsed_1mv6 2
47 "3.778 0.30/0.30:" 50 82 50 107 parsed_1mv6 2
48 "2.413 0.30/0.30:" 51 82 51 107 parsed_1mv6 2
49 "3.837 0.30/0.30:" 52 82 52 107 parsed_1mv6 2
50 "3.652 0.30/0.30:" 53 82 53 107 parsed_1mv6 2
51 "3.137 0.30/0.30:" 54 82 54 107 parsed_1mv6 2
52 "3.195 0.30/0.30:" 55 82 55 107 parsed_1mv6 2
53 "2.473 0.30/0.30:" 56 82 56 107 parsed_1mv6 2
54 "3.391 0.30/0.30:" 57 82 57 107 parsed_1mv6 2
55 "2.521 0.30/0.30:" 58 82 58 107 parsed_1mv6 2
56 "3.864 0.30/0.30:" 59 82 59 107 parsed_1mv6 2
57 "2.982 0.30/0.30:" 60 82 60 107 parsed_1mv6 2
58 "2.650 0.30/0.30:" 61 82 61 107 parsed_1mv6 2
59
;
3.490 0.30/0.30:
***************************************************
strand 2:
;
62 82 67 1 parsed_1mv6 2
60 "3.848 0.30/0.30:" 68 84 68 109 parsed_1mv6 2
61 "4.103 0.30/0.30:" 69 84 69 109 parsed_1mv6 2
62 "3.370 0.30/0.30:" 70 84 70 109 parsed_1mv6 2
63 "2.690 0.30/0.30:" 71 84 71 109 parsed_1mv6 2
64 "4.076 0.30/0.30:" 72 84 72 109 parsed_1mv6 2
65 "3.862 0.30/0.30:" 73 84 73 109 parsed_1mv6 2
66 "4.081 0.30/0.30:" 74 84 74 109 parsed_1mv6 2
67 "2.248 0.30/0.30:" 75 84 75 109 parsed_1mv6 2
68 "2.398 0.30/0.30:" 76 84 76 109 parsed_1mv6 2
69 "3.586 0.30/0.30:" 77 84 77 109 parsed_1mv6 2
70 "2.603 0.30/0.30:" 78 84 78 109 parsed_1mv6 2
71 "4.114 0.30/0.30:" 79 84 79 109 parsed_1mv6 2
72 "2.477 0.30/0.30:" 80 84 80 109 parsed_1mv6 2
73 "2.495 0.30/0.30:" 81 84 81 109 parsed_1mv6 2
74 "3.674 0.30/0.30:" 82 84 82 109 parsed_1mv6 2
75 "3.399 0.30/0.30:" 83 84 83 109 parsed_1mv6 2
76 "3.374 0.30/0.30:" 84 84 84 109 parsed_1mv6 2
77 "3.073 0.25/0.25:" 85 84 85 109 parsed_1mv6 2
78 "4.009 0.25/0.25:" 86 84 86 109 parsed_1mv6 2
79 "3.325 0.25/0.25:" 87 84 87 109 parsed_1mv6 2
80 "3.003 0.25/0.25:" 88 84 88 109 parsed_1mv6 2
81 "2.685 0.25/0.25:" 89 84 89 109 parsed_1mv6 2
82 "4.413 0.25/0.25::" 90 84 90 110 parsed_1mv6 2
83 "4.407 0.25/0.25:" 91 84 91 109 parsed_1mv6 2
84 "3.769 0.25/0.25:" 92 84 92 109 parsed_1mv6 2
85 "2.904 0.25/0.25:" 93 84 93 109 parsed_1mv6 2
86 "4.528 0.25/0.25:" 94 84 94 109 parsed_1mv6 2
87 "3.216 0.25/0.25:" 95 84 95 109 parsed_1mv6 2
88 "4.100 0.25/0.25:" 96 84 96 108 parsed_1mv6 2
89 "2.893 0.25/0.25:" 97 84 97 109 parsed_1mv6 2
90 "2.983 0.25/0.25:" 98 84 98 109 parsed_1mv6 2
91 "3.328 0.25/0.25:" 99 84 99 109 parsed_1mv6 2
92 "4.272 0.30/0.30:" 100 84 100 109 parsed_1mv6 2
93 "3.890 0.30/0.30:" 101 84 101 109 parsed_1mv6 2
94 "3.015 0.30/0.30:" 102 84 102 109 parsed_1mv6 2
95 "2.658 0.30/0.30:" 103 84 103 109 parsed_1mv6 2
96 "3.841 0.30/0.30:" 104 84 104 109 parsed_1mv6 2
97 "2.380 0.30/0.30:" 105 84 105 109 parsed_1mv6 2
98 "2.531 0.30/0.30:" 106 84 106 109 parsed_1mv6 2
99 "3.933 0.30/0.30:" 107 84 107 109 parsed_1mv6 2
100 "4.022 0.30/0.30:" 108 84 108 109 parsed_1mv6 2
101 "2.537 0.30/0.30:" 109 84 109 109 parsed_1mv6 2
102 "2.489 0.30/0.30:" 110 84 110 109 parsed_1mv6 2
103 "2.697 0.30/0.30:" 111 84 111 109 parsed_1mv6 2
104 "4.270 0.30/0.30:" 112 84 112 109 parsed_1mv6 2
105 "3.778 0.30/0.30:" 113 84 113 109 parsed_1mv6 2
106 "2.413 0.30/0.30:" 114 84 114 109 parsed_1mv6 2
107 "3.837 0.30/0.30:" 115 84 115 109 parsed_1mv6 2
108 "3.652 0.30/0.30:" 116 84 116 109 parsed_1mv6 2
109 "3.137 0.30/0.30:" 117 84 117 109 parsed_1mv6 2
110 "3.195 0.30/0.30:" 118 84 118 109 parsed_1mv6 2
111 "2.473 0.30/0.30:" 119 84 119 109 parsed_1mv6 2
112 "3.391 0.30/0.30:" 120 84 120 109 parsed_1mv6 2
113 "2.521 0.30/0.30:" 121 84 121 109 parsed_1mv6 2
114 "3.864 0.30/0.30:" 122 84 122 109 parsed_1mv6 2
115 "2.982 0.30/0.30:" 123 84 123 109 parsed_1mv6 2
116 "2.650 0.30/0.30:" 124 84 124 109 parsed_1mv6 2
117
;
3.490 0.30/0.30:
**********************************************
cross-strand
;
125 84 127 13 parsed_1mv6 2
118 "3.098 0.25/0.25:" 128 83 128 108 parsed_1mv6 2
119 "3.098 0.25/0.25:" 129 83 129 108 parsed_1mv6 2
120 "3.995 0.25/0.25:" 130 83 130 108 parsed_1mv6 2
121 "3.995 0.25/0.25:" 131 83 131 107 parsed_1mv6 2
122 "3.820 0.25/0.25:" 132 83 132 108 parsed_1mv6 2
123 "3.820 0.25/0.25:" 133 83 133 107 parsed_1mv6 2
124 "3.704 0.25/0.25:" 134 83 134 106 parsed_1mv6 2
125 "3.704 0.25/0.25:" 135 83 135 105 parsed_1mv6 2
126 "4.479 0.25/0.25:" 136 83 136 107 parsed_1mv6 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1mv6
_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 1 G5' O3' 1 2 G P 1 2 G O5' 1 2 G C5' parsed_1mv6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 G O3' 1 3 C P 1 3 C O5' 1 3 C C5' parsed_1mv6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G O3' 1 7 C P 1 7 C O5' 1 7 C C5' parsed_1mv6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 C O3' 1 8 C P 1 8 C O5' 1 8 C C5' parsed_1mv6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 C O3' 1 9 U3' P 1 9 U3' O5' 1 9 U3' C5' parsed_1mv6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 1 G5' O3' B 2 G P B 2 G O5' B 2 G C5' parsed_1mv6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 2 G O3' B 3 C P B 3 C O5' B 3 C C5' parsed_1mv6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 6 G O3' B 7 C P B 7 C O5' B 7 C C5' parsed_1mv6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 7 C O3' B 8 C P B 8 C O5' B 8 C C5' parsed_1mv6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 8 C O3' B 9 U3' P B 9 U3' O5' B 9 U3' C5' parsed_1mv6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 G P 1 2 G O5' 1 2 G C5' 1 2 G C4' parsed_1mv6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 C P 1 3 C O5' 1 3 C C5' 1 3 C C4' parsed_1mv6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 PUR P 1 4 PUR O5' 1 4 PUR C5' 1 4 PUR C4' parsed_1mv6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 PUR P 1 5 PUR O5' 1 5 PUR C5' 1 5 PUR C4' parsed_1mv6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' parsed_1mv6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 C P 1 7 C O5' 1 7 C C5' 1 7 C C4' parsed_1mv6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 C P 1 8 C O5' 1 8 C C5' 1 8 C C4' parsed_1mv6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 U3' P 1 9 U3' O5' 1 9 U3' C5' 1 9 U3' C4' parsed_1mv6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 2 G P B 2 G O5' B 2 G C5' B 2 G C4' parsed_1mv6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 3 C P B 3 C O5' B 3 C C5' B 3 C C4' parsed_1mv6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 4 PUR P B 4 PUR O5' B 4 PUR C5' B 4 PUR C4' parsed_1mv6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 5 PUR P B 5 PUR O5' B 5 PUR C5' B 5 PUR C4' parsed_1mv6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 6 G P B 6 G O5' B 6 G C5' B 6 G C4' parsed_1mv6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 7 C P B 7 C O5' B 7 C C5' B 7 C C4' parsed_1mv6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 8 C P B 8 C O5' B 8 C C5' B 8 C C4' parsed_1mv6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 9 U3' P B 9 U3' O5' B 9 U3' C5' B 9 U3' C4' parsed_1mv6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 1 G5' O5' 1 1 G5' C5' 1 1 G5' C4' 1 1 G5' C3' parsed_1mv6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 2 G O5' 1 2 G C5' 1 2 G C4' 1 2 G C3' parsed_1mv6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 3 C O5' 1 3 C C5' 1 3 C C4' 1 3 C C3' parsed_1mv6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 4 PUR O5' 1 4 PUR C5' 1 4 PUR C4' 1 4 PUR C3' parsed_1mv6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 5 PUR O5' 1 5 PUR C5' 1 5 PUR C4' 1 5 PUR C3' parsed_1mv6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' parsed_1mv6 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 7 C O5' 1 7 C C5' 1 7 C C4' 1 7 C C3' parsed_1mv6 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 8 C O5' 1 8 C C5' 1 8 C C4' 1 8 C C3' parsed_1mv6 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 9 U3' O5' 1 9 U3' C5' 1 9 U3' C4' 1 9 U3' C3' parsed_1mv6 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 1 G5' O5' B 1 G5' C5' B 1 G5' C4' B 1 G5' C3' parsed_1mv6 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 2 G O5' B 2 G C5' B 2 G C4' B 2 G C3' parsed_1mv6 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 3 C O5' B 3 C C5' B 3 C C4' B 3 C C3' parsed_1mv6 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 4 PUR O5' B 4 PUR C5' B 4 PUR C4' B 4 PUR C3' parsed_1mv6 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 5 PUR O5' B 5 PUR C5' B 5 PUR C4' B 5 PUR C3' parsed_1mv6 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 6 G O5' B 6 G C5' B 6 G C4' B 6 G C3' parsed_1mv6 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 7 C O5' B 7 C C5' B 7 C C4' B 7 C C3' parsed_1mv6 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 8 C O5' B 8 C C5' B 8 C C4' B 8 C C3' parsed_1mv6 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 9 U3' O5' B 9 U3' C5' B 9 U3' C4' B 9 U3' C3' parsed_1mv6 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 1 G5' C5' 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' parsed_1mv6 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 2 G C5' 1 2 G C4' 1 2 G C3' 1 2 G O3' parsed_1mv6 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 3 C C5' 1 3 C C4' 1 3 C C3' 1 3 C O3' parsed_1mv6 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 4 PUR C5' 1 4 PUR C4' 1 4 PUR C3' 1 4 PUR O3' parsed_1mv6 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 5 PUR C5' 1 5 PUR C4' 1 5 PUR C3' 1 5 PUR O3' parsed_1mv6 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' parsed_1mv6 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 7 C C5' 1 7 C C4' 1 7 C C3' 1 7 C O3' parsed_1mv6 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 8 C C5' 1 8 C C4' 1 8 C C3' 1 8 C O3' parsed_1mv6 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 9 U3' C5' 1 9 U3' C4' 1 9 U3' C3' 1 9 U3' O3' parsed_1mv6 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 1 G5' C5' B 1 G5' C4' B 1 G5' C3' B 1 G5' O3' parsed_1mv6 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 2 G C5' B 2 G C4' B 2 G C3' B 2 G O3' parsed_1mv6 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 3 C C5' B 3 C C4' B 3 C C3' B 3 C O3' parsed_1mv6 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 4 PUR C5' B 4 PUR C4' B 4 PUR C3' B 4 PUR O3' parsed_1mv6 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 5 PUR C5' B 5 PUR C4' B 5 PUR C3' B 5 PUR O3' parsed_1mv6 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 6 G C5' B 6 G C4' B 6 G C3' B 6 G O3' parsed_1mv6 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 7 C C5' B 7 C C4' B 7 C C3' B 7 C O3' parsed_1mv6 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 8 C C5' B 8 C C4' B 8 C C3' B 8 C O3' parsed_1mv6 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 9 U3' C5' B 9 U3' C4' B 9 U3' C3' B 9 U3' O3' parsed_1mv6 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' 1 2 G P parsed_1mv6 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 2 G C4' 1 2 G C3' 1 2 G O3' 1 3 C P parsed_1mv6 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 6 G C4' 1 6 G C3' 1 6 G O3' 1 7 C P parsed_1mv6 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 7 C C4' 1 7 C C3' 1 7 C O3' 1 8 C P parsed_1mv6 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 8 C C4' 1 8 C C3' 1 8 C O3' 1 9 U3' P parsed_1mv6 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 1 G5' C4' B 1 G5' C3' B 1 G5' O3' B 2 G P parsed_1mv6 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 2 G C4' B 2 G C3' B 2 G O3' B 3 C P parsed_1mv6 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 6 G C4' B 6 G C3' B 6 G O3' B 7 C P parsed_1mv6 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 7 C C4' B 7 C C3' B 7 C O3' B 8 C P parsed_1mv6 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 8 C C4' B 8 C C3' B 8 C O3' B 9 U3' P parsed_1mv6 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 1 G5' C3' 1 1 G5' O3' 1 2 G P 1 2 G O5' parsed_1mv6 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 G C3' 1 2 G O3' 1 3 C P 1 3 C O5' parsed_1mv6 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 G C3' 1 6 G O3' 1 7 C P 1 7 C O5' parsed_1mv6 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 C C3' 1 7 C O3' 1 8 C P 1 8 C O5' parsed_1mv6 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 C C3' 1 8 C O3' 1 9 U3' P 1 9 U3' O5' parsed_1mv6 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 1 G5' C3' B 1 G5' O3' B 2 G P B 2 G O5' parsed_1mv6 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 2 G C3' B 2 G O3' B 3 C P B 3 C O5' parsed_1mv6 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 6 G C3' B 6 G O3' B 7 C P B 7 C O5' parsed_1mv6 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 7 C C3' B 7 C O3' B 8 C P B 8 C O5' parsed_1mv6 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 8 C C3' B 8 C O3' B 9 U3' P B 9 U3' O5' parsed_1mv6 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 1 G5' O4' 1 1 G5' C1' 1 1 G5' N9 1 1 G5' C4 parsed_1mv6 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 G O4' 1 2 G C1' 1 2 G N9 1 2 G C4 parsed_1mv6 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 C O4' 1 3 C C1' 1 3 C N1 1 3 C C2 parsed_1mv6 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 PUR O4' 1 4 PUR C1' 1 4 PUR N9 1 4 PUR C4 parsed_1mv6 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 PUR O4' 1 5 PUR C1' 1 5 PUR N9 1 5 PUR C4 parsed_1mv6 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 parsed_1mv6 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 7 C O4' 1 7 C C1' 1 7 C N1 1 7 C C2 parsed_1mv6 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 C O4' 1 8 C C1' 1 8 C N1 1 8 C C2 parsed_1mv6 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 U3' O4' 1 9 U3' C1' 1 9 U3' N1 1 9 U3' C2 parsed_1mv6 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 1 G5' O4' B 1 G5' C1' B 1 G5' N9 B 1 G5' C4 parsed_1mv6 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 2 G O4' B 2 G C1' B 2 G N9 B 2 G C4 parsed_1mv6 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 3 C O4' B 3 C C1' B 3 C N1 B 3 C C2 parsed_1mv6 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 4 PUR O4' B 4 PUR C1' B 4 PUR N9 B 4 PUR C4 parsed_1mv6 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 5 PUR O4' B 5 PUR C1' B 5 PUR N9 B 5 PUR C4 parsed_1mv6 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 6 G O4' B 6 G C1' B 6 G N9 B 6 G C4 parsed_1mv6 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 7 C O4' B 7 C C1' B 7 C N1 B 7 C C2 parsed_1mv6 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 8 C O4' B 8 C C1' B 8 C N1 B 8 C C2 parsed_1mv6 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 9 U3' O4' B 9 U3' C1' B 9 U3' N1 B 9 U3' C2 parsed_1mv6 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
**********************************************
(From Mark who got them from Chen)
NMR_dihedral
alpha P-O5'; first strand
;
1 1 9 1 parsed_1mv6 1
2 "alpha P-O5'; second strand" 15 1 17 1 parsed_1mv6 1
3
;
beta O5'-C5'; first strand
;
23 1 27 1 parsed_1mv6 1
4 "beta O5'-C5'; second strand" 36 1 38 1 parsed_1mv6 1
5
;
gamma C5'-C4'; first strand
;
47 1 51 1 parsed_1mv6 1
6 "gamma C5'-C4'; second strand" 61 1 63 1 parsed_1mv6 1
7
;
delta C4'-C3'; first strand
;
73 1 77 1 parsed_1mv6 1
8 "delta C4'-C3'; second strand" 87 1 89 1 parsed_1mv6 1
9
;
epsilon C3'-O3'; first strand
;
99 1 103 1 parsed_1mv6 1
10 "epsilon C3'-O3'; second strand" 109 1 111 1 parsed_1mv6 1
11
;
zeta O3'-P; first strand
;
117 1 121 1 parsed_1mv6 1
12 "zeta O3'-P; second strand" 127 1 129 1 parsed_1mv6 1
13
;
chi Glycosidic torsions; strand 1
;
135 1 139 1 parsed_1mv6 1
14 "chi Glycosidic torsions; strand 2" 149 1 151 1 parsed_1mv6 1
stop_
save_
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