NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
34402 |
1juu   |
5164 | cing | 2-parsed | STAR | entry | full | 292 |
data_1juu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1juu
_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_1juu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1juu
_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 1juu "Master copy" parsed_1juu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1juu
_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 1juu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1juu 1
1 1juu.mr . . DISCOVER 2 distance NOE simple 50 parsed_1juu 1
1 1juu.mr . . DISCOVER 3 distance "hydrogen bond" simple 28 parsed_1juu 1
1 1juu.mr . . DISCOVER 4 distance NOE simple 22 parsed_1juu 1
1 1juu.mr . . DISCOVER 5 distance "hydrogen bond" simple 30 parsed_1juu 1
1 1juu.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 162 parsed_1juu 1
1 1juu.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1juu 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_1juu
_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 DNA 28-AUG-01 1JUU
*TITLE NMR STRUCTURE OF A PARALLEL STRANDED DNA DUPLEX AT ATOMIC
*TITLE 2 RESOLUTION
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3';
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE DNA DUPLEX WAS SYNTHESIZED WITH AN
*SOURCE 4 APPLIED BIOSYSTEMS MODEL 380B DNA SYNTHESIZER USING SOLID
*SOURCE 5 STATE PHOSPHORAMIDATE CHEMISTRY;
*SOURCE 6 MOL_ID: 2;
*SOURCE 7 SYNTHETIC: YES
*KEYWDS PARALLEL STRANDED, DNA DUPLEX
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR V.R.PARVATHY, S.R.BHAUMIK, K.V.R.CHARY, G.GOVIL, K.LIU,
*AUTHOR 2 F.B.HOWARD, H.T.MILES
*REVDAT 1 03-APR-02 1JUU 0
!BIOSYM restraint 1
!NOE distances
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1juu
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1juu 1
2 1 . . . parsed_1juu 1
3 1 . . . parsed_1juu 1
4 1 . . . parsed_1juu 1
5 1 . . . parsed_1juu 1
6 1 . . . parsed_1juu 1
7 1 . . . parsed_1juu 1
8 1 . . . parsed_1juu 1
9 1 . . . parsed_1juu 1
10 1 . . . parsed_1juu 1
11 1 . . . parsed_1juu 1
12 1 . . . parsed_1juu 1
13 1 . . . parsed_1juu 1
14 1 . . . parsed_1juu 1
15 1 . . . parsed_1juu 1
16 1 . . . parsed_1juu 1
17 1 . . . parsed_1juu 1
18 1 . . . parsed_1juu 1
19 1 . . . parsed_1juu 1
20 1 . . . parsed_1juu 1
21 1 . . . parsed_1juu 1
22 1 . . . parsed_1juu 1
23 1 . . . parsed_1juu 1
24 1 . . . parsed_1juu 1
25 1 . . . parsed_1juu 1
26 1 . . . parsed_1juu 1
27 1 . . . parsed_1juu 1
28 1 . . . parsed_1juu 1
29 1 . . . parsed_1juu 1
30 1 . . . parsed_1juu 1
31 1 . . . parsed_1juu 1
32 1 . . . parsed_1juu 1
33 1 . . . parsed_1juu 1
34 1 . . . parsed_1juu 1
35 1 . . . parsed_1juu 1
36 1 . . . parsed_1juu 1
37 1 . . . parsed_1juu 1
38 1 . . . parsed_1juu 1
39 1 . . . parsed_1juu 1
40 1 . . . parsed_1juu 1
41 1 . . . parsed_1juu 1
42 1 . . . parsed_1juu 1
43 1 . . . parsed_1juu 1
44 1 . . . parsed_1juu 1
45 1 . . . parsed_1juu 1
46 1 . . . parsed_1juu 1
47 1 . . . parsed_1juu 1
48 1 . . . parsed_1juu 1
49 1 . . . parsed_1juu 1
50 1 . . . parsed_1juu 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 . . . . . . . . B 2 C H6 parsed_1juu 1
1 1 2 . . . . . . . . B 2 C H2'1 parsed_1juu 1
2 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1
2 1 2 . . . . . . . . B 5 T H5M1 parsed_1juu 1
3 1 1 . . . . . . . . 1 3 A H8 parsed_1juu 1
3 1 2 . . . . . . . . 1 4 T H5M1 parsed_1juu 1
4 1 1 . . . . . . . . 1 6 A H8 parsed_1juu 1
4 1 2 . . . . . . . . 1 7 T H5M1 parsed_1juu 1
5 1 1 . . . . . . . . B 9 A H8 parsed_1juu 1
5 1 2 . . . . . . . . B 10 T H5M1 parsed_1juu 1
6 1 1 . . . . . . . . B 2 C H6 parsed_1juu 1
6 1 2 . . . . . . . . B 2 C H2'2 parsed_1juu 1
7 1 1 . . . . . . . . 1 11 C H6 parsed_1juu 1
7 1 2 . . . . . . . . 1 11 C H2'1 parsed_1juu 1
8 1 1 . . . . . . . . B 7 A H8 parsed_1juu 1
8 1 2 . . . . . . . . B 6 T H2'1 parsed_1juu 1
9 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1
9 1 2 . . . . . . . . B 5 T H2'1 parsed_1juu 1
10 1 1 . . . . . . . . 1 3 A H8 parsed_1juu 1
10 1 2 . . . . . . . . 1 2 C H2'1 parsed_1juu 1
11 1 1 . . . . . . . . 1 10 A H8 parsed_1juu 1
11 1 2 . . . . . . . . 1 9 T H2'2 parsed_1juu 1
12 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1
12 1 2 . . . . . . . . B 3 T H2'2 parsed_1juu 1
13 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1
13 1 2 . . . . . . . . 1 8 T H5M1 parsed_1juu 1
14 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1
14 1 2 . . . . . . . . B 5 T H5M1 parsed_1juu 1
15 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1
15 1 2 . . . . . . . . 1 7 T H5M1 parsed_1juu 1
16 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
16 1 2 . . . . . . . . 1 4 T H5M1 parsed_1juu 1
17 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
17 1 2 . . . . . . . . 1 4 T H2'2 parsed_1juu 1
18 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1
18 1 2 . . . . . . . . B 10 T H5M1 parsed_1juu 1
19 1 1 . . . . . . . . B 3 T H6 parsed_1juu 1
19 1 2 . . . . . . . . B 3 T H5M1 parsed_1juu 1
20 1 1 . . . . . . . . B 3 T H6 parsed_1juu 1
20 1 2 . . . . . . . . B 3 T H2'1 parsed_1juu 1
21 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1
21 1 2 . . . . . . . . 1 8 T H2'2 parsed_1juu 1
22 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1
22 1 2 . . . . . . . . 1 7 T H2'2 parsed_1juu 1
23 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1
23 1 2 . . . . . . . . 1 8 T H2'1 parsed_1juu 1
24 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1
24 1 2 . . . . . . . . 1 7 T H2'1 parsed_1juu 1
25 1 1 . . . . . . . . 1 9 T H6 parsed_1juu 1
25 1 2 . . . . . . . . 1 9 T H2'1 parsed_1juu 1
26 1 1 . . . . . . . . B 3 T H6 parsed_1juu 1
26 1 2 . . . . . . . . B 2 C H2'1 parsed_1juu 1
27 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1
27 1 2 . . . . . . . . B 4 A H2'2 parsed_1juu 1
28 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1
28 1 2 . . . . . . . . B 4 A H2'1 parsed_1juu 1
29 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1
29 1 2 . . . . . . . . B 5 T H2'1 parsed_1juu 1
30 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1
30 1 2 . . . . . . . . 1 7 T H2'1 parsed_1juu 1
31 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1
31 1 2 . . . . . . . . B 10 T H2'1 parsed_1juu 1
32 1 1 . . . . . . . . B 6 T H6 parsed_1juu 1
32 1 2 . . . . . . . . B 5 T H2'1 parsed_1juu 1
33 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1
33 1 2 . . . . . . . . 1 6 A H2'1 parsed_1juu 1
34 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1
34 1 2 . . . . . . . . 1 6 A H2'2 parsed_1juu 1
35 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1
35 1 2 . . . . . . . . B 9 A H2'1 parsed_1juu 1
36 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1
36 1 2 . . . . . . . . B 9 A H2'2 parsed_1juu 1
37 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
37 1 2 . . . . . . . . 1 3 A H2'1 parsed_1juu 1
38 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
38 1 2 . . . . . . . . 1 3 A H2'2 parsed_1juu 1
39 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1
39 1 2 . . . . . . . . B 5 T H2'2 parsed_1juu 1
40 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1
40 1 2 . . . . . . . . 1 7 T H2'2 parsed_1juu 1
41 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
41 1 2 . . . . . . . . 1 4 T H2'1 parsed_1juu 1
42 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1
42 1 2 . . . . . . . . B 4 A H1' parsed_1juu 1
43 1 1 . . . . . . . . 1 10 A H8 parsed_1juu 1
43 1 2 . . . . . . . . 1 10 A H1' parsed_1juu 1
44 1 1 . . . . . . . . 1 3 A H8 parsed_1juu 1
44 1 2 . . . . . . . . 1 3 A H1' parsed_1juu 1
45 1 1 . . . . . . . . 1 6 A H8 parsed_1juu 1
45 1 2 . . . . . . . . 1 6 A H1' parsed_1juu 1
46 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
46 1 2 . . . . . . . . 1 4 T H3' parsed_1juu 1
47 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
47 1 2 . . . . . . . . 1 4 T H1' parsed_1juu 1
48 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1
48 1 2 . . . . . . . . 1 3 A H1' parsed_1juu 1
49 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1
49 1 2 . . . . . . . . B 4 A H1' parsed_1juu 1
50 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1
50 1 2 . . . . . . . . B 5 T H1' parsed_1juu 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 . . . . . 0.0 3.1 4.1 parsed_1juu 1
2 1 . . . . . 0.0 5.5 6.5 parsed_1juu 1
3 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1
4 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1
5 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1
6 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1
7 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1
8 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1
9 1 . . . . . 0.0 5.0 6.0 parsed_1juu 1
10 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1
11 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1
12 1 . . . . . 0.0 3.9 4.8 parsed_1juu 1
13 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1
14 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1
15 1 . . . . . 0.0 2.9 3.9 parsed_1juu 1
16 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1
17 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1
18 1 . . . . . 0.0 2.2 3.3 parsed_1juu 1
19 1 . . . . . 0.0 2.4 3.3 parsed_1juu 1
20 1 . . . . . 0.0 3.3 4.3 parsed_1juu 1
21 1 . . . . . 0.0 2.2 3.2 parsed_1juu 1
22 1 . . . . . 0.0 2.2 3.2 parsed_1juu 1
23 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1
24 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1
25 1 . . . . . 0.0 4.4 5.3 parsed_1juu 1
26 1 . . . . . 0.0 3.2 4.2 parsed_1juu 1
27 1 . . . . . 0.0 2.8 3.7 parsed_1juu 1
28 1 . . . . . 0.0 2.8 3.7 parsed_1juu 1
29 1 . . . . . 0.0 2.5 3.2 parsed_1juu 1
30 1 . . . . . 0.0 2.3 3.3 parsed_1juu 1
31 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1
32 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1
33 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1
34 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1
35 1 . . . . . 0.0 2.9 3.9 parsed_1juu 1
36 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1
37 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1
38 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1
39 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1
40 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1
41 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1
42 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1
43 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1
44 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1
45 1 . . . . . 0.0 3.1 4.1 parsed_1juu 1
46 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1
47 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1
48 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1
49 1 . . . . . 0.0 3.7 4.7 parsed_1juu 1
50 1 . . . . . 0.0 3.1 4.1 parsed_1juu 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 NOE_distance 1 1 1 15 parsed_1juu 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1juu
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1juu 2
2 1 . . . parsed_1juu 2
3 1 . . . parsed_1juu 2
4 1 . . . parsed_1juu 2
5 1 . . . parsed_1juu 2
6 1 . . . parsed_1juu 2
7 1 . . . parsed_1juu 2
8 1 . . . parsed_1juu 2
9 1 . . . parsed_1juu 2
10 1 . . . parsed_1juu 2
11 1 . . . parsed_1juu 2
12 1 . . . parsed_1juu 2
13 1 . . . parsed_1juu 2
14 1 . . . parsed_1juu 2
15 1 . . . parsed_1juu 2
16 1 . . . parsed_1juu 2
17 1 . . . parsed_1juu 2
18 1 . . . parsed_1juu 2
19 1 . . . parsed_1juu 2
20 1 . . . parsed_1juu 2
21 1 . . . parsed_1juu 2
22 1 . . . parsed_1juu 2
23 1 . . . parsed_1juu 2
24 1 . . . parsed_1juu 2
25 1 . . . parsed_1juu 2
26 1 . . . parsed_1juu 2
27 1 . . . parsed_1juu 2
28 1 . . . parsed_1juu 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 C O2 parsed_1juu 2
1 1 2 . . . . . . . . 1 1 C H42 parsed_1juu 2
2 1 1 . . . . . . . . B 1 C H42 parsed_1juu 2
2 1 2 . . . . . . . . 1 1 C O2 parsed_1juu 2
3 1 1 . . . . . . . . B 1 C N3 parsed_1juu 2
3 1 2 . . . . . . . . 1 1 C H3 parsed_1juu 2
4 1 1 . . . . . . . . B 2 C O2 parsed_1juu 2
4 1 2 . . . . . . . . 1 2 C H42 parsed_1juu 2
5 1 1 . . . . . . . . B 2 C H42 parsed_1juu 2
5 1 2 . . . . . . . . 1 2 C O2 parsed_1juu 2
6 1 1 . . . . . . . . B 2 C N3 parsed_1juu 2
6 1 2 . . . . . . . . 1 2 C H3 parsed_1juu 2
7 1 1 . . . . . . . . 1 3 A H61 parsed_1juu 2
7 1 2 . . . . . . . . B 3 T O2 parsed_1juu 2
8 1 1 . . . . . . . . 1 3 A N1 parsed_1juu 2
8 1 2 . . . . . . . . B 3 T H3 parsed_1juu 2
9 1 1 . . . . . . . . 1 4 T O2 parsed_1juu 2
9 1 2 . . . . . . . . B 4 A H61 parsed_1juu 2
10 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 2
10 1 2 . . . . . . . . B 4 A N1 parsed_1juu 2
11 1 1 . . . . . . . . 1 5 A H61 parsed_1juu 2
11 1 2 . . . . . . . . B 5 T O2 parsed_1juu 2
12 1 1 . . . . . . . . 1 5 A N1 parsed_1juu 2
12 1 2 . . . . . . . . B 5 T H3 parsed_1juu 2
13 1 1 . . . . . . . . 1 6 A H61 parsed_1juu 2
13 1 2 . . . . . . . . B 6 T O2 parsed_1juu 2
14 1 1 . . . . . . . . 1 6 A N1 parsed_1juu 2
14 1 2 . . . . . . . . B 6 T H3 parsed_1juu 2
15 1 1 . . . . . . . . 1 7 T O2 parsed_1juu 2
15 1 2 . . . . . . . . B 7 A H61 parsed_1juu 2
16 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 2
16 1 2 . . . . . . . . B 7 A N1 parsed_1juu 2
17 1 1 . . . . . . . . 1 8 T O2 parsed_1juu 2
17 1 2 . . . . . . . . B 8 A H61 parsed_1juu 2
18 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 2
18 1 2 . . . . . . . . B 8 A N1 parsed_1juu 2
19 1 1 . . . . . . . . 1 9 T O2 parsed_1juu 2
19 1 2 . . . . . . . . B 9 A H61 parsed_1juu 2
20 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 2
20 1 2 . . . . . . . . B 9 A N1 parsed_1juu 2
21 1 1 . . . . . . . . 1 10 A H61 parsed_1juu 2
21 1 2 . . . . . . . . B 10 T O2 parsed_1juu 2
22 1 1 . . . . . . . . 1 10 A N1 parsed_1juu 2
22 1 2 . . . . . . . . B 10 T H3 parsed_1juu 2
23 1 1 . . . . . . . . B 11 C O2 parsed_1juu 2
23 1 2 . . . . . . . . 1 11 C H42 parsed_1juu 2
24 1 1 . . . . . . . . B 11 C H42 parsed_1juu 2
24 1 2 . . . . . . . . 1 11 C O2 parsed_1juu 2
25 1 1 . . . . . . . . B 11 C N3 parsed_1juu 2
25 1 2 . . . . . . . . 1 11 C H3 parsed_1juu 2
26 1 1 . . . . . . . . B 12 C O2 parsed_1juu 2
26 1 2 . . . . . . . . 1 12 C H42 parsed_1juu 2
27 1 1 . . . . . . . . B 12 C H42 parsed_1juu 2
27 1 2 . . . . . . . . 1 12 C O2 parsed_1juu 2
28 1 1 . . . . . . . . B 12 C N3 parsed_1juu 2
28 1 2 . . . . . . . . 1 12 C H3 parsed_1juu 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 . . . . . . 1.92 2.20 parsed_1juu 2
2 1 . . . . . . 1.92 2.20 parsed_1juu 2
3 1 . . . . . . 1.92 2.20 parsed_1juu 2
4 1 . . . . . . 1.92 2.20 parsed_1juu 2
5 1 . . . . . . 1.92 2.20 parsed_1juu 2
6 1 . . . . . . 1.92 2.20 parsed_1juu 2
7 1 . . . . . . 1.92 2.20 parsed_1juu 2
8 1 . . . . . . 1.92 2.20 parsed_1juu 2
9 1 . . . . . . 1.92 2.20 parsed_1juu 2
10 1 . . . . . . 1.92 2.20 parsed_1juu 2
11 1 . . . . . . 1.92 2.20 parsed_1juu 2
12 1 . . . . . . 1.92 2.20 parsed_1juu 2
13 1 . . . . . . 1.92 2.20 parsed_1juu 2
14 1 . . . . . . 1.92 2.20 parsed_1juu 2
15 1 . . . . . . 1.92 2.20 parsed_1juu 2
16 1 . . . . . . 1.92 2.20 parsed_1juu 2
17 1 . . . . . . 1.92 2.20 parsed_1juu 2
18 1 . . . . . . 1.92 2.20 parsed_1juu 2
19 1 . . . . . . 1.92 2.20 parsed_1juu 2
20 1 . . . . . . 1.92 2.20 parsed_1juu 2
21 1 . . . . . . 1.92 2.20 parsed_1juu 2
22 1 . . . . . . 1.92 2.20 parsed_1juu 2
23 1 . . . . . . 1.92 2.20 parsed_1juu 2
24 1 . . . . . . 1.92 2.20 parsed_1juu 2
25 1 . . . . . . 1.92 2.20 parsed_1juu 2
26 1 . . . . . . 1.92 2.20 parsed_1juu 2
27 1 . . . . . . 1.92 2.20 parsed_1juu 2
28 1 . . . . . . 1.92 2.20 parsed_1juu 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
;
hydrogen bond
distance
;
1 1 2 9 parsed_1juu 2
stop_
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1juu
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1juu 3
2 1 . . . parsed_1juu 3
3 1 . . . parsed_1juu 3
4 1 . . . parsed_1juu 3
5 1 . . . parsed_1juu 3
6 1 . . . parsed_1juu 3
7 1 . . . parsed_1juu 3
8 1 . . . parsed_1juu 3
9 1 . . . parsed_1juu 3
10 1 . . . parsed_1juu 3
11 1 . . . parsed_1juu 3
12 1 . . . parsed_1juu 3
13 1 . . . parsed_1juu 3
14 1 . . . parsed_1juu 3
15 1 . . . parsed_1juu 3
16 1 . . . parsed_1juu 3
17 1 . . . parsed_1juu 3
18 1 . . . parsed_1juu 3
19 1 . . . parsed_1juu 3
20 1 . . . parsed_1juu 3
21 1 . . . parsed_1juu 3
22 1 . . . parsed_1juu 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . B 3 T H3 parsed_1juu 3
1 1 2 . . . . . . . . 1 3 A H2 parsed_1juu 3
2 1 1 . . . . . . . . B 3 T H3 parsed_1juu 3
2 1 2 . . . . . . . . B 4 A H2 parsed_1juu 3
3 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 3
3 1 2 . . . . . . . . 1 5 A H2 parsed_1juu 3
4 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 3
4 1 2 . . . . . . . . 1 3 A H2 parsed_1juu 3
5 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 3
5 1 2 . . . . . . . . B 4 A H2 parsed_1juu 3
6 1 1 . . . . . . . . B 5 T H3 parsed_1juu 3
6 1 2 . . . . . . . . B 4 A H2 parsed_1juu 3
7 1 1 . . . . . . . . B 5 T H3 parsed_1juu 3
7 1 2 . . . . . . . . 1 5 A H2 parsed_1juu 3
8 1 1 . . . . . . . . B 5 T H3 parsed_1juu 3
8 1 2 . . . . . . . . 1 6 A H2 parsed_1juu 3
9 1 1 . . . . . . . . B 6 T H3 parsed_1juu 3
9 1 2 . . . . . . . . 1 6 A H2 parsed_1juu 3
10 1 1 . . . . . . . . B 6 T H3 parsed_1juu 3
10 1 2 . . . . . . . . 1 5 A H2 parsed_1juu 3
11 1 1 . . . . . . . . B 6 T H3 parsed_1juu 3
11 1 2 . . . . . . . . B 7 A H2 parsed_1juu 3
12 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 3
12 1 2 . . . . . . . . B 7 A H2 parsed_1juu 3
13 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 3
13 1 2 . . . . . . . . B 8 A H2 parsed_1juu 3
14 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 3
14 1 2 . . . . . . . . 1 6 A H2 parsed_1juu 3
15 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 3
15 1 2 . . . . . . . . B 8 A H2 parsed_1juu 3
16 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 3
16 1 2 . . . . . . . . B 7 A H2 parsed_1juu 3
17 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 3
17 1 2 . . . . . . . . B 9 A H2 parsed_1juu 3
18 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 3
18 1 2 . . . . . . . . B 8 A H2 parsed_1juu 3
19 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 3
19 1 2 . . . . . . . . B 9 A H2 parsed_1juu 3
20 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 3
20 1 2 . . . . . . . . 1 10 A H2 parsed_1juu 3
21 1 1 . . . . . . . . B 10 T H3 parsed_1juu 3
21 1 2 . . . . . . . . 1 10 A H2 parsed_1juu 3
22 1 1 . . . . . . . . B 10 T H3 parsed_1juu 3
22 1 2 . . . . . . . . B 9 A H2 parsed_1juu 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.3 4.0 parsed_1juu 3
2 1 . . . . . . 3.4 4.4 parsed_1juu 3
3 1 . . . . . . 3.4 4.4 parsed_1juu 3
4 1 . . . . . . 3.4 4.4 parsed_1juu 3
5 1 . . . . . . 3.3 4.0 parsed_1juu 3
6 1 . . . . . . 3.4 4.4 parsed_1juu 3
7 1 . . . . . . 3.3 4.0 parsed_1juu 3
8 1 . . . . . . 3.4 4.4 parsed_1juu 3
9 1 . . . . . . 3.3 4.0 parsed_1juu 3
10 1 . . . . . . 3.4 4.4 parsed_1juu 3
11 1 . . . . . . 3.4 4.4 parsed_1juu 3
12 1 . . . . . . 3.3 4.0 parsed_1juu 3
13 1 . . . . . . 3.4 4.4 parsed_1juu 3
14 1 . . . . . . 3.4 4.4 parsed_1juu 3
15 1 . . . . . . 3.3 4.0 parsed_1juu 3
16 1 . . . . . . 3.4 4.4 parsed_1juu 3
17 1 . . . . . . 3.4 4.4 parsed_1juu 3
18 1 . . . . . . 3.4 4.4 parsed_1juu 3
19 1 . . . . . . 3.3 4.0 parsed_1juu 3
20 1 . . . . . . 3.4 4.4 parsed_1juu 3
21 1 . . . . . . 3.3 4.0 parsed_1juu 3
22 1 . . . . . . 3.4 4.4 parsed_1juu 3
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 "AH2-TNH3 constraint" 1 1 1 20 parsed_1juu 3
stop_
save_
save_Discover_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1juu
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1juu 4
2 1 . . . parsed_1juu 4
3 1 . . . parsed_1juu 4
4 1 . . . parsed_1juu 4
5 1 . . . parsed_1juu 4
6 1 . . . parsed_1juu 4
7 1 . . . parsed_1juu 4
8 1 . . . parsed_1juu 4
9 1 . . . parsed_1juu 4
10 1 . . . parsed_1juu 4
11 1 . . . parsed_1juu 4
12 1 . . . parsed_1juu 4
13 1 . . . parsed_1juu 4
14 1 . . . parsed_1juu 4
15 1 . . . parsed_1juu 4
16 1 . . . parsed_1juu 4
17 1 . . . parsed_1juu 4
18 1 . . . parsed_1juu 4
19 1 . . . parsed_1juu 4
20 1 . . . parsed_1juu 4
21 1 . . . parsed_1juu 4
22 1 . . . parsed_1juu 4
23 1 . . . parsed_1juu 4
24 1 . . . parsed_1juu 4
25 1 . . . parsed_1juu 4
26 1 . . . parsed_1juu 4
27 1 . . . parsed_1juu 4
28 1 . . . parsed_1juu 4
29 1 . . . parsed_1juu 4
30 1 . . . parsed_1juu 4
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 C O2 parsed_1juu 4
1 1 2 . . . . . . . . 1 1 C N4 parsed_1juu 4
2 1 1 . . . . . . . . B 1 C N4 parsed_1juu 4
2 1 2 . . . . . . . . 1 1 C O2 parsed_1juu 4
3 1 1 . . . . . . . . B 1 C N3 parsed_1juu 4
3 1 2 . . . . . . . . 1 1 C N3 parsed_1juu 4
4 1 1 . . . . . . . . B 2 C O2 parsed_1juu 4
4 1 2 . . . . . . . . 1 2 C N4 parsed_1juu 4
5 1 1 . . . . . . . . B 2 C N4 parsed_1juu 4
5 1 2 . . . . . . . . 1 2 C O2 parsed_1juu 4
6 1 1 . . . . . . . . B 2 C N3 parsed_1juu 4
6 1 2 . . . . . . . . 1 2 C N3 parsed_1juu 4
7 1 1 . . . . . . . . 1 3 A N6 parsed_1juu 4
7 1 2 . . . . . . . . B 3 T O2 parsed_1juu 4
8 1 1 . . . . . . . . 1 3 A N1 parsed_1juu 4
8 1 2 . . . . . . . . B 3 T N3 parsed_1juu 4
9 1 1 . . . . . . . . 1 4 T O2 parsed_1juu 4
9 1 2 . . . . . . . . B 4 A N6 parsed_1juu 4
10 1 1 . . . . . . . . 1 4 T N3 parsed_1juu 4
10 1 2 . . . . . . . . B 4 A N1 parsed_1juu 4
11 1 1 . . . . . . . . 1 5 A N6 parsed_1juu 4
11 1 2 . . . . . . . . B 5 T O2 parsed_1juu 4
12 1 1 . . . . . . . . 1 5 A N1 parsed_1juu 4
12 1 2 . . . . . . . . B 5 T N3 parsed_1juu 4
13 1 1 . . . . . . . . 1 6 A N6 parsed_1juu 4
13 1 2 . . . . . . . . B 6 T O2 parsed_1juu 4
14 1 1 . . . . . . . . 1 6 A N1 parsed_1juu 4
14 1 2 . . . . . . . . B 6 T N3 parsed_1juu 4
15 1 1 . . . . . . . . 1 7 T O2 parsed_1juu 4
15 1 2 . . . . . . . . B 7 A N6 parsed_1juu 4
16 1 1 . . . . . . . . 1 7 T N3 parsed_1juu 4
16 1 2 . . . . . . . . B 7 A N1 parsed_1juu 4
17 1 1 . . . . . . . . 1 8 T O2 parsed_1juu 4
17 1 2 . . . . . . . . B 8 A N6 parsed_1juu 4
18 1 1 . . . . . . . . 1 8 T N3 parsed_1juu 4
18 1 2 . . . . . . . . B 8 A N1 parsed_1juu 4
19 1 1 . . . . . . . . 1 9 T O2 parsed_1juu 4
19 1 2 . . . . . . . . B 9 A N6 parsed_1juu 4
20 1 1 . . . . . . . . 1 9 T N3 parsed_1juu 4
20 1 2 . . . . . . . . B 9 A N1 parsed_1juu 4
21 1 1 . . . . . . . . 1 10 A N6 parsed_1juu 4
21 1 2 . . . . . . . . B 10 T O2 parsed_1juu 4
22 1 1 . . . . . . . . 1 10 A N1 parsed_1juu 4
22 1 2 . . . . . . . . B 10 T N3 parsed_1juu 4
23 1 1 . . . . . . . . B 11 C O2 parsed_1juu 4
23 1 2 . . . . . . . . 1 11 C N4 parsed_1juu 4
24 1 1 . . . . . . . . B 11 C N4 parsed_1juu 4
24 1 2 . . . . . . . . 1 11 C O2 parsed_1juu 4
25 1 1 . . . . . . . . B 12 C O2 parsed_1juu 4
25 1 2 . . . . . . . . 1 12 C N4 parsed_1juu 4
26 1 1 . . . . . . . . B 12 C N4 parsed_1juu 4
26 1 2 . . . . . . . . 1 12 C O2 parsed_1juu 4
27 1 1 . . . . . . . . B 1 C N3 parsed_1juu 4
27 1 2 . . . . . . . . 1 1 C N3 parsed_1juu 4
28 1 1 . . . . . . . . B 2 C N3 parsed_1juu 4
28 1 2 . . . . . . . . 1 2 C N3 parsed_1juu 4
29 1 1 . . . . . . . . B 11 C N3 parsed_1juu 4
29 1 2 . . . . . . . . 1 11 C N3 parsed_1juu 4
30 1 1 . . . . . . . . B 12 C N3 parsed_1juu 4
30 1 2 . . . . . . . . 1 12 C N3 parsed_1juu 4
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 . . . . . . 2.93 3.10 parsed_1juu 4
2 1 . . . . . . 2.93 3.10 parsed_1juu 4
3 1 . . . . . . 2.93 3.10 parsed_1juu 4
4 1 . . . . . . 2.93 3.10 parsed_1juu 4
5 1 . . . . . . 2.93 3.10 parsed_1juu 4
6 1 . . . . . . 2.93 3.10 parsed_1juu 4
7 1 . . . . . . 2.93 3.10 parsed_1juu 4
8 1 . . . . . . 2.93 3.10 parsed_1juu 4
9 1 . . . . . . 2.93 3.10 parsed_1juu 4
10 1 . . . . . . 2.93 3.10 parsed_1juu 4
11 1 . . . . . . 2.93 3.10 parsed_1juu 4
12 1 . . . . . . 2.93 3.10 parsed_1juu 4
13 1 . . . . . . 2.93 3.10 parsed_1juu 4
14 1 . . . . . . 2.93 3.10 parsed_1juu 4
15 1 . . . . . . 2.93 3.10 parsed_1juu 4
16 1 . . . . . . 2.93 3.10 parsed_1juu 4
17 1 . . . . . . 2.93 3.10 parsed_1juu 4
18 1 . . . . . . 2.93 3.10 parsed_1juu 4
19 1 . . . . . . 2.93 3.10 parsed_1juu 4
20 1 . . . . . . 2.93 3.10 parsed_1juu 4
21 1 . . . . . . 2.93 3.10 parsed_1juu 4
22 1 . . . . . . 2.93 3.10 parsed_1juu 4
23 1 . . . . . . 2.93 3.10 parsed_1juu 4
24 1 . . . . . . 2.93 3.10 parsed_1juu 4
25 1 . . . . . . 2.93 3.10 parsed_1juu 4
26 1 . . . . . . 2.73 3.10 parsed_1juu 4
27 1 . . . . . . 2.93 3.10 parsed_1juu 4
28 1 . . . . . . 2.93 3.10 parsed_1juu 4
29 1 . . . . . . 2.93 3.10 parsed_1juu 4
30 1 . . . . . . 2.93 3.10 parsed_1juu 4
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 "Heavy Atom hydrogen bonding" 1 1 1 28 parsed_1juu 4
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1juu
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 1 C O3' B 2 C P B 2 C O5' B 2 C C5' parsed_1juu 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 2 C O3' B 3 T P B 3 T O5' B 3 T C5' parsed_1juu 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 3 T O3' B 4 A P B 4 A O5' B 4 A C5' parsed_1juu 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 4 A O3' B 5 T P B 5 T O5' B 5 T C5' parsed_1juu 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 5 T O3' B 6 T P B 6 T O5' B 6 T C5' parsed_1juu 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 6 T O3' B 7 A P B 7 A O5' B 7 A C5' parsed_1juu 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 7 A O3' B 8 A P B 8 A O5' B 8 A C5' parsed_1juu 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 8 A O3' B 9 A P B 9 A O5' B 9 A C5' parsed_1juu 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 9 A O3' B 10 T P B 10 T O5' B 10 T C5' parsed_1juu 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 10 T O3' B 11 C P B 11 C O5' B 11 C C5' parsed_1juu 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 11 C O3' B 12 C P B 12 C O5' B 12 C C5' parsed_1juu 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 1 C O3' 1 2 C P 1 2 C O5' 1 2 C C5' parsed_1juu 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 2 C O3' 1 3 A P 1 3 A O5' 1 3 A C5' parsed_1juu 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 3 A O3' 1 4 T P 1 4 T O5' 1 4 T C5' parsed_1juu 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 4 T O3' 1 5 A P 1 5 A O5' 1 5 A C5' parsed_1juu 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 5 A O3' 1 6 A P 1 6 A O5' 1 6 A C5' parsed_1juu 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 6 A O3' 1 7 T P 1 7 T O5' 1 7 T C5' parsed_1juu 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 7 T O3' 1 8 T P 1 8 T O5' 1 8 T C5' parsed_1juu 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 8 T O3' 1 9 T P 1 9 T O5' 1 9 T C5' parsed_1juu 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 9 T O3' 1 10 A P 1 10 A O5' 1 10 A C5' parsed_1juu 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 10 A O3' 1 11 C P 1 11 C O5' 1 11 C C5' parsed_1juu 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 11 C O3' 1 12 C P 1 12 C O5' 1 12 C C5' parsed_1juu 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 1 C P B 1 C O5' B 1 C C5' B 1 C C4' parsed_1juu 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' parsed_1juu 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 3 T P B 3 T O5' B 3 T C5' B 3 T C4' parsed_1juu 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 4 A P B 4 A O5' B 4 A C5' B 4 A C4' parsed_1juu 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 5 T P B 5 T O5' B 5 T C5' B 5 T C4' parsed_1juu 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 6 T P B 6 T O5' B 6 T C5' B 6 T C4' parsed_1juu 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 7 A P B 7 A O5' B 7 A C5' B 7 A C4' parsed_1juu 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 8 A P B 8 A O5' B 8 A C5' B 8 A C4' parsed_1juu 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 9 A P B 9 A O5' B 9 A C5' B 9 A C4' parsed_1juu 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 10 T P B 10 T O5' B 10 T C5' B 10 T C4' parsed_1juu 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 11 C P B 11 C O5' B 11 C C5' B 11 C C4' parsed_1juu 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 12 C P B 12 C O5' B 12 C C5' B 12 C C4' parsed_1juu 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 1 C P 1 1 C O5' 1 1 C C5' 1 1 C C4' parsed_1juu 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 2 C P 1 2 C O5' 1 2 C C5' 1 2 C C4' parsed_1juu 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' parsed_1juu 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 4 T P 1 4 T O5' 1 4 T C5' 1 4 T C4' parsed_1juu 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 5 A P 1 5 A O5' 1 5 A C5' 1 5 A C4' parsed_1juu 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 6 A P 1 6 A O5' 1 6 A C5' 1 6 A C4' parsed_1juu 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 7 T P 1 7 T O5' 1 7 T C5' 1 7 T C4' parsed_1juu 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 8 T P 1 8 T O5' 1 8 T C5' 1 8 T C4' parsed_1juu 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 9 T P 1 9 T O5' 1 9 T C5' 1 9 T C4' parsed_1juu 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' parsed_1juu 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 11 C P 1 11 C O5' 1 11 C C5' 1 11 C C4' parsed_1juu 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 12 C P 1 12 C O5' 1 12 C C5' 1 12 C C4' parsed_1juu 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 1 C O5' B 1 C C5' B 1 C C4' B 1 C C3' parsed_1juu 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' parsed_1juu 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 3 T O5' B 3 T C5' B 3 T C4' B 3 T C3' parsed_1juu 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 4 A O5' B 4 A C5' B 4 A C4' B 4 A C3' parsed_1juu 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 5 T O5' B 5 T C5' B 5 T C4' B 5 T C3' parsed_1juu 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 6 T O5' B 6 T C5' B 6 T C4' B 6 T C3' parsed_1juu 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 7 A O5' B 7 A C5' B 7 A C4' B 7 A C3' parsed_1juu 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 8 A O5' B 8 A C5' B 8 A C4' B 8 A C3' parsed_1juu 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 9 A O5' B 9 A C5' B 9 A C4' B 9 A C3' parsed_1juu 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 10 T O5' B 10 T C5' B 10 T C4' B 10 T C3' parsed_1juu 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 11 C O5' B 11 C C5' B 11 C C4' B 11 C C3' parsed_1juu 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 12 C O5' B 12 C C5' B 12 C C4' B 12 C C3' parsed_1juu 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 1 C O5' 1 1 C C5' 1 1 C C4' 1 1 C C3' parsed_1juu 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 2 C O5' 1 2 C C5' 1 2 C C4' 1 2 C C3' parsed_1juu 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' parsed_1juu 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 4 T O5' 1 4 T C5' 1 4 T C4' 1 4 T C3' parsed_1juu 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 5 A O5' 1 5 A C5' 1 5 A C4' 1 5 A C3' parsed_1juu 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 6 A O5' 1 6 A C5' 1 6 A C4' 1 6 A C3' parsed_1juu 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 7 T O5' 1 7 T C5' 1 7 T C4' 1 7 T C3' parsed_1juu 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 8 T O5' 1 8 T C5' 1 8 T C4' 1 8 T C3' parsed_1juu 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 9 T O5' 1 9 T C5' 1 9 T C4' 1 9 T C3' parsed_1juu 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' parsed_1juu 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 11 C O5' 1 11 C C5' 1 11 C C4' 1 11 C C3' parsed_1juu 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 12 C O5' 1 12 C C5' 1 12 C C4' 1 12 C C3' parsed_1juu 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 1 C C5' B 1 C C4' B 1 C C3' B 1 C O3' parsed_1juu 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1juu 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 3 T C5' B 3 T C4' B 3 T C3' B 3 T O3' parsed_1juu 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 4 A C5' B 4 A C4' B 4 A C3' B 4 A O3' parsed_1juu 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 5 T C5' B 5 T C4' B 5 T C3' B 5 T O3' parsed_1juu 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 6 T C5' B 6 T C4' B 6 T C3' B 6 T O3' parsed_1juu 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 7 A C5' B 7 A C4' B 7 A C3' B 7 A O3' parsed_1juu 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 8 A C5' B 8 A C4' B 8 A C3' B 8 A O3' parsed_1juu 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 9 A C5' B 9 A C4' B 9 A C3' B 9 A O3' parsed_1juu 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 10 T C5' B 10 T C4' B 10 T C3' B 10 T O3' parsed_1juu 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 11 C C5' B 11 C C4' B 11 C C3' B 11 C O3' parsed_1juu 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 12 C C5' B 12 C C4' B 12 C C3' B 12 C O3' parsed_1juu 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 1 C C5' 1 1 C C4' 1 1 C C3' 1 1 C O3' parsed_1juu 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 2 C C5' 1 2 C C4' 1 2 C C3' 1 2 C O3' parsed_1juu 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1juu 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 4 T C5' 1 4 T C4' 1 4 T C3' 1 4 T O3' parsed_1juu 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 5 A C5' 1 5 A C4' 1 5 A C3' 1 5 A O3' parsed_1juu 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 6 A C5' 1 6 A C4' 1 6 A C3' 1 6 A O3' parsed_1juu 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 7 T C5' 1 7 T C4' 1 7 T C3' 1 7 T O3' parsed_1juu 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 8 T C5' 1 8 T C4' 1 8 T C3' 1 8 T O3' parsed_1juu 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 9 T C5' 1 9 T C4' 1 9 T C3' 1 9 T O3' parsed_1juu 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' parsed_1juu 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 11 C C5' 1 11 C C4' 1 11 C C3' 1 11 C O3' parsed_1juu 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 12 C C5' 1 12 C C4' 1 12 C C3' 1 12 C O3' parsed_1juu 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 1 C C4' B 1 C C3' B 1 C O3' B 2 C P parsed_1juu 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 2 C C4' B 2 C C3' B 2 C O3' B 3 T P parsed_1juu 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 3 T C4' B 3 T C3' B 3 T O3' B 4 A P parsed_1juu 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 4 A C4' B 4 A C3' B 4 A O3' B 5 T P parsed_1juu 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 5 T C4' B 5 T C3' B 5 T O3' B 6 T P parsed_1juu 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 6 T C4' B 6 T C3' B 6 T O3' B 7 A P parsed_1juu 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 7 A C4' B 7 A C3' B 7 A O3' B 8 A P parsed_1juu 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 8 A C4' B 8 A C3' B 8 A O3' B 9 A P parsed_1juu 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 9 A C4' B 9 A C3' B 9 A O3' B 10 T P parsed_1juu 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 10 T C4' B 10 T C3' B 10 T O3' B 11 C P parsed_1juu 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 11 C C4' B 11 C C3' B 11 C O3' B 12 C P parsed_1juu 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 1 C C4' 1 1 C C3' 1 1 C O3' 1 2 C P parsed_1juu 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 2 C C4' 1 2 C C3' 1 2 C O3' 1 3 A P parsed_1juu 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 T P parsed_1juu 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 4 T C4' 1 4 T C3' 1 4 T O3' 1 5 A P parsed_1juu 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 5 A C4' 1 5 A C3' 1 5 A O3' 1 6 A P parsed_1juu 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 6 A C4' 1 6 A C3' 1 6 A O3' 1 7 T P parsed_1juu 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 7 T C4' 1 7 T C3' 1 7 T O3' 1 8 T P parsed_1juu 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 8 T C4' 1 8 T C3' 1 8 T O3' 1 9 T P parsed_1juu 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 9 T C4' 1 9 T C3' 1 9 T O3' 1 10 A P parsed_1juu 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 11 C P parsed_1juu 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 11 C C4' 1 11 C C3' 1 11 C O3' 1 12 C P parsed_1juu 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 1 C C3' B 1 C O3' B 2 C P B 2 C O5' parsed_1juu 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 2 C C3' B 2 C O3' B 3 T P B 3 T O5' parsed_1juu 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 3 T C3' B 3 T O3' B 4 A P B 4 A O5' parsed_1juu 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 4 A C3' B 4 A O3' B 5 T P B 5 T O5' parsed_1juu 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 5 T C3' B 5 T O3' B 6 T P B 6 T O5' parsed_1juu 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 6 T C3' B 6 T O3' B 7 A P B 7 A O5' parsed_1juu 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 7 A C3' B 7 A O3' B 8 A P B 8 A O5' parsed_1juu 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 8 A C3' B 8 A O3' B 9 A P B 9 A O5' parsed_1juu 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 9 A C3' B 9 A O3' B 10 T P B 10 T O5' parsed_1juu 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 10 T C3' B 10 T O3' B 11 C P B 11 C O5' parsed_1juu 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 11 C C3' B 11 C O3' B 12 C P B 12 C O5' parsed_1juu 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 1 C C3' 1 1 C O3' 1 2 C P 1 2 C O5' parsed_1juu 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 2 C C3' 1 2 C O3' 1 3 A P 1 3 A O5' parsed_1juu 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 3 A C3' 1 3 A O3' 1 4 T P 1 4 T O5' parsed_1juu 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 4 T C3' 1 4 T O3' 1 5 A P 1 5 A O5' parsed_1juu 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 5 A C3' 1 5 A O3' 1 6 A P 1 6 A O5' parsed_1juu 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 6 A C3' 1 6 A O3' 1 7 T P 1 7 T O5' parsed_1juu 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 7 T C3' 1 7 T O3' 1 8 T P 1 8 T O5' parsed_1juu 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 8 T C3' 1 8 T O3' 1 9 T P 1 9 T O5' parsed_1juu 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 9 T C3' 1 9 T O3' 1 10 A P 1 10 A O5' parsed_1juu 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 10 A C3' 1 10 A O3' 1 11 C P 1 11 C O5' parsed_1juu 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 11 C C3' 1 11 C O3' 1 12 C P 1 12 C O5' parsed_1juu 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 1 C O4' B 1 C C1' B 1 C N1 B 1 C C6 parsed_1juu 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C6 parsed_1juu 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 3 T O4' B 3 T C1' B 3 T N1 B 3 T C6 parsed_1juu 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 4 A O4' B 4 A C1' B 4 A N9 B 4 A C8 parsed_1juu 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 5 T O4' B 5 T C1' B 5 T N1 B 5 T C6 parsed_1juu 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 6 T O4' B 6 T C1' B 6 T N1 B 6 T C6 parsed_1juu 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 7 A O4' B 7 A C1' B 7 A N9 B 7 A C8 parsed_1juu 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 8 A O4' B 8 A C1' B 8 A N9 B 8 A C8 parsed_1juu 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 9 A O4' B 9 A C1' B 9 A N9 B 9 A C8 parsed_1juu 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 10 T O4' B 10 T C1' B 10 T N1 B 10 T C6 parsed_1juu 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 11 C O4' B 11 C C1' B 11 C N1 B 11 C C6 parsed_1juu 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 12 C O4' B 12 C C1' B 12 C N1 B 12 C C6 parsed_1juu 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 1 C O4' 1 1 C C1' 1 1 C N1 1 1 C C6 parsed_1juu 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 2 C O4' 1 2 C C1' 1 2 C N1 1 2 C C6 parsed_1juu 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C8 parsed_1juu 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 4 T O4' 1 4 T C1' 1 4 T N1 1 4 T C6 parsed_1juu 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 5 A O4' 1 5 A C1' 1 5 A N9 1 5 A C8 parsed_1juu 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 6 A O4' 1 6 A C1' 1 6 A N9 1 6 A C8 parsed_1juu 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 7 T O4' 1 7 T C1' 1 7 T N1 1 7 T C6 parsed_1juu 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 8 T O4' 1 8 T C1' 1 8 T N1 1 8 T C6 parsed_1juu 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 9 T O4' 1 9 T C1' 1 9 T N1 1 9 T C6 parsed_1juu 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C8 parsed_1juu 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 11 C O4' 1 11 C C1' 1 11 C N1 1 11 C C6 parsed_1juu 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 12 C O4' 1 12 C C1' 1 12 C N1 1 12 C C6 parsed_1juu 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
NMR_dihedral
alpa
;
1 1 2 5 parsed_1juu 1
2 "1:C_1:O3' 1:C_1:P 1:C_1:O5' 1:C_1:C5' 260 310 20 20 1000" 14 1 15 58 parsed_1juu 1
3 beta 27 1 27 5 parsed_1juu 1
4 gama 53 1 53 5 parsed_1juu 1
5 delta 79 1 79 6 parsed_1juu 1
6 epsilon 105 1 105 8 parsed_1juu 1
7 zeta 129 1 129 5 parsed_1juu 1
8 chi 153 1 153 4 parsed_1juu 1
stop_
save_
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