NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
38341 |
1rde   |
6009 | cing | 2-parsed | STAR | entry | full | 417 |
data_1rde_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1rde
_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_1rde 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1rde
_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 1rde "Master copy" parsed_1rde
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1rde
_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 1rde.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 90 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 24 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 5 distance NOE simple 42 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 6 distance "general distance" simple 12 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 7 distance "general distance" simple 41 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 8 distance NOE simple 173 parsed_1rde 1
1 1rde.mr . . XPLOR/CNS 9 distance "NOE not seen" simple 19 parsed_1rde 1
1 1rde.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rde 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_1rde
_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 05-NOV-03 1RDE
*TITLE NMR STRUCTURE OF THE THROMBIN-BINDING DNA APTAMER
*TITLE 2 STABILIZED BY SR2+
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: THROMBIN-BINDING DNA APTAMER;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THIS SEQUENCE WAS SELETED FROM 10^13 DNA
*KEYWDS THROMBIN-BINDING DNA, SR2+, QUADRUPLEX
*EXPDTA NMR, 11 STRUCTURES
*AUTHOR X.MAO, L.A.MARKY, W.H.GMEINER
*REVDAT 1 11-NOV-03 1RDE 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1rde
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_1rde 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 3 . O4' . 3 . C1' . 3 . N1 . 3 . C2 parsed_1rde 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_1rde 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_1rde 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_1rde 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_1rde 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1rde 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_1rde 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 12 . O4' . 12 . C1' . 12 . N1 . 12 . C2 parsed_1rde 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_1rde 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_1rde 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 100.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_1rde 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 100.0 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_1rde 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 100.0 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_1rde 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 100.0 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_1rde 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_1rde 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_1rde 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_1rde 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_1rde 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_1rde 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_1rde 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_1rde 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 2 . C2' . 2 . C3' . 2 . C4' . 2 . O4' parsed_1rde 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 2 . C3' . 2 . C4' . 2 . O4' . 2 . C1' parsed_1rde 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 2 . C4' . 2 . O4' . 2 . C1' . 2 . C2' parsed_1rde 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_1rde 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_1rde 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_1rde 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_1rde 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_1rde 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_1rde 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_1rde 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_1rde 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_1rde 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_1rde 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_1rde 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_1rde 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_1rde 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_1rde 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_1rde 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_1rde 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_1rde 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' parsed_1rde 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 6 . C3' . 6 . C4' . 6 . O4' . 6 . C1' parsed_1rde 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' parsed_1rde 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_1rde 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_1rde 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' parsed_1rde 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 7 . C3' . 7 . C4' . 7 . O4' . 7 . C1' parsed_1rde 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' parsed_1rde 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_1rde 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_1rde 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' parsed_1rde 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 8 . C3' . 8 . C4' . 8 . O4' . 8 . C1' parsed_1rde 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' parsed_1rde 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_1rde 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_1rde 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_1rde 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_1rde 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_1rde 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_1rde 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_1rde 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_1rde 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_1rde 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_1rde 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' parsed_1rde 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' parsed_1rde 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 11 . C2' . 11 . C3' . 11 . C4' . 11 . O4' parsed_1rde 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 11 . C3' . 11 . C4' . 11 . O4' . 11 . C1' parsed_1rde 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 11 . C4' . 11 . O4' . 11 . C1' . 11 . C2' parsed_1rde 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_1rde 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_1rde 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_1rde 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_1rde 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_1rde 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_1rde 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_1rde 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_1rde 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_1rde 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_1rde 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_1rde 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_1rde 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 14 . C2' . 14 . C3' . 14 . C4' . 14 . O4' parsed_1rde 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 14 . C3' . 14 . C4' . 14 . O4' . 14 . C1' parsed_1rde 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 14 . C4' . 14 . O4' . 14 . C1' . 14 . C2' parsed_1rde 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . 15 . O4' . 15 . C1' . 15 . C2' . 15 . C3' parsed_1rde 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 300.0 360.0 . . 15 . C1' . 15 . C2' . 15 . C3' . 15 . C4' parsed_1rde 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.0 52.0 . . 15 . C2' . 15 . C3' . 15 . C4' . 15 . O4' parsed_1rde 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 15 . C3' . 15 . C4' . 15 . O4' . 15 . C1' parsed_1rde 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 310.0 370.0 . . 15 . C4' . 15 . O4' . 15 . C1' . 15 . C2' parsed_1rde 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 CHI 2 1 2 5 parsed_1rde 1
2 C2'-endo 68 1 68 10 parsed_1rde 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1rde
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 1 . C6 . 15 . N1 . 15 . C2 . 1 . N7 parsed_1rde 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 15 . C6 . 10 . N1 . 10 . C2 . 15 . N7 parsed_1rde 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 10 . C6 . 6 . N1 . 6 . C2 . 10 . N7 parsed_1rde 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 6 . C6 . 1 . N1 . 1 . C2 . 6 . N7 parsed_1rde 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 2 . C6 . 5 . N1 . 5 . C2 . 2 . N7 parsed_1rde 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 5 . C6 . 11 . N1 . 11 . C2 . 5 . N7 parsed_1rde 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 11 . C6 . 14 . N1 . 14 . C2 . 11 . N7 parsed_1rde 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 14 . C6 . 2 . N1 . 2 . C2 . 14 . N7 parsed_1rde 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 1 . N2 . 1 . N7 . 15 . N2 . 15 . N7 parsed_1rde 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 15 . N2 . 15 . N7 . 10 . N2 . 10 . N7 parsed_1rde 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 10 . N2 . 10 . N7 . 6 . N2 . 6 . N7 parsed_1rde 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 6 . N2 . 6 . N7 . 1 . N2 . 1 . N7 parsed_1rde 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 2 . N2 . 2 . N7 . 5 . N2 . 5 . N7 parsed_1rde 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 5 . N2 . 5 . N7 . 11 . N2 . 11 . N7 parsed_1rde 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 11 . N2 . 11 . N7 . 14 . N2 . 14 . N7 parsed_1rde 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . . 14 . N2 . 14 . N7 . 2 . N2 . 2 . N7 parsed_1rde 2
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 Improper 2 1 2 10 parsed_1rde 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rde
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1rde 1
2 1 . . . parsed_1rde 1
3 1 . . . parsed_1rde 1
4 1 . . . parsed_1rde 1
5 1 . . . parsed_1rde 1
6 1 . . . parsed_1rde 1
7 1 . . . parsed_1rde 1
8 1 . . . parsed_1rde 1
9 1 . . . parsed_1rde 1
10 1 . . . parsed_1rde 1
11 1 . . . parsed_1rde 1
12 1 . . . parsed_1rde 1
13 1 . . . parsed_1rde 1
14 1 . . . parsed_1rde 1
15 1 . . . parsed_1rde 1
16 1 . . . parsed_1rde 1
17 1 . . . parsed_1rde 1
18 1 . . . parsed_1rde 1
19 1 . . . parsed_1rde 1
20 1 . . . parsed_1rde 1
21 1 . . . parsed_1rde 1
22 1 . . . parsed_1rde 1
23 1 . . . parsed_1rde 1
24 1 . . . parsed_1rde 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 . N7 parsed_1rde 1
1 1 2 . . . . . . . . . 15 . N2 parsed_1rde 1
2 1 1 . . . . . . . . . 1 . O6 parsed_1rde 1
2 1 2 . . . . . . . . . 15 . H1 parsed_1rde 1
3 1 1 . . . . . . . . . 1 . O6 parsed_1rde 1
3 1 2 . . . . . . . . . 15 . N1 parsed_1rde 1
4 1 1 . . . . . . . . . 10 . N7 parsed_1rde 1
4 1 2 . . . . . . . . . 6 . N2 parsed_1rde 1
5 1 1 . . . . . . . . . 10 . O6 parsed_1rde 1
5 1 2 . . . . . . . . . 6 . H1 parsed_1rde 1
6 1 1 . . . . . . . . . 10 . O6 parsed_1rde 1
6 1 2 . . . . . . . . . 6 . N1 parsed_1rde 1
7 1 1 . . . . . . . . . 5 . N7 parsed_1rde 1
7 1 2 . . . . . . . . . 11 . N2 parsed_1rde 1
8 1 1 . . . . . . . . . 5 . O6 parsed_1rde 1
8 1 2 . . . . . . . . . 11 . H1 parsed_1rde 1
9 1 1 . . . . . . . . . 5 . O6 parsed_1rde 1
9 1 2 . . . . . . . . . 11 . N1 parsed_1rde 1
10 1 1 . . . . . . . . . 14 . N7 parsed_1rde 1
10 1 2 . . . . . . . . . 2 . N2 parsed_1rde 1
11 1 1 . . . . . . . . . 14 . O6 parsed_1rde 1
11 1 2 . . . . . . . . . 2 . H1 parsed_1rde 1
12 1 1 . . . . . . . . . 14 . O6 parsed_1rde 1
12 1 2 . . . . . . . . . 2 . N1 parsed_1rde 1
13 1 1 . . . . . . . . . 6 . N7 parsed_1rde 1
13 1 2 . . . . . . . . . 1 . N2 parsed_1rde 1
14 1 1 . . . . . . . . . 6 . O6 parsed_1rde 1
14 1 2 . . . . . . . . . 1 . H1 parsed_1rde 1
15 1 1 . . . . . . . . . 6 . O6 parsed_1rde 1
15 1 2 . . . . . . . . . 1 . N1 parsed_1rde 1
16 1 1 . . . . . . . . . 11 . N7 parsed_1rde 1
16 1 2 . . . . . . . . . 14 . N2 parsed_1rde 1
17 1 1 . . . . . . . . . 11 . O6 parsed_1rde 1
17 1 2 . . . . . . . . . 14 . H1 parsed_1rde 1
18 1 1 . . . . . . . . . 11 . O6 parsed_1rde 1
18 1 2 . . . . . . . . . 14 . N1 parsed_1rde 1
19 1 1 . . . . . . . . . 15 . N7 parsed_1rde 1
19 1 2 . . . . . . . . . 10 . N2 parsed_1rde 1
20 1 1 . . . . . . . . . 15 . O6 parsed_1rde 1
20 1 2 . . . . . . . . . 10 . H1 parsed_1rde 1
21 1 1 . . . . . . . . . 15 . O6 parsed_1rde 1
21 1 2 . . . . . . . . . 10 . N1 parsed_1rde 1
22 1 1 . . . . . . . . . 2 . N7 parsed_1rde 1
22 1 2 . . . . . . . . . 5 . N2 parsed_1rde 1
23 1 1 . . . . . . . . . 2 . O6 parsed_1rde 1
23 1 2 . . . . . . . . . 5 . H1 parsed_1rde 1
24 1 1 . . . . . . . . . 2 . O6 parsed_1rde 1
24 1 2 . . . . . . . . . 5 . N1 parsed_1rde 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 . . . . . 2.80 2.60 3.00 parsed_1rde 1
2 1 . . . . . 1.80 1.60 2.00 parsed_1rde 1
3 1 . . . . . 2.80 2.60 3.00 parsed_1rde 1
4 1 . . . . . 2.80 2.60 3.00 parsed_1rde 1
5 1 . . . . . 1.80 1.60 2.00 parsed_1rde 1
6 1 . . . . . 2.80 2.60 3.00 parsed_1rde 1
7 1 . . . . . 2.80 2.60 3.00 parsed_1rde 1
8 1 . . . . . 1.80 1.60 2.00 parsed_1rde 1
9 1 . . . . . 2.80 2.60 3.00 parsed_1rde 1
10 1 . . . . . 2.80 2.60 3.00 parsed_1rde 1
11 1 . . . . . 1.80 1.60 2.00 parsed_1rde 1
12 1 . . . . . 2.80 2.60 3.00 parsed_1rde 1
13 1 . . . . . 2.70 2.50 2.90 parsed_1rde 1
14 1 . . . . . 1.70 1.50 1.90 parsed_1rde 1
15 1 . . . . . 2.70 2.50 2.90 parsed_1rde 1
16 1 . . . . . 2.70 2.50 2.90 parsed_1rde 1
17 1 . . . . . 1.70 1.50 1.90 parsed_1rde 1
18 1 . . . . . 2.70 2.50 2.90 parsed_1rde 1
19 1 . . . . . 2.70 2.50 2.90 parsed_1rde 1
20 1 . . . . . 1.70 1.50 1.90 parsed_1rde 1
21 1 . . . . . 2.70 2.50 2.90 parsed_1rde 1
22 1 . . . . . 2.70 2.50 2.90 parsed_1rde 1
23 1 . . . . . 1.70 1.50 1.90 parsed_1rde 1
24 1 . . . . . 2.70 2.50 2.90 parsed_1rde 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 "Wide groove hydrogen bonds" 1 1 1 28 parsed_1rde 1
2 "Narrow groove hydrogen bonds" 35 1 35 30 parsed_1rde 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rde
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_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_1rde 2
2 1 . . . parsed_1rde 2
3 1 . . . parsed_1rde 2
4 1 . . . parsed_1rde 2
5 1 . . . parsed_1rde 2
6 1 . . . parsed_1rde 2
7 1 . . . parsed_1rde 2
8 1 . . . parsed_1rde 2
9 1 . . . parsed_1rde 2
10 1 . . . parsed_1rde 2
11 1 . . . parsed_1rde 2
12 1 . . . parsed_1rde 2
13 1 . . . parsed_1rde 2
14 1 . . . parsed_1rde 2
15 1 . . . parsed_1rde 2
16 1 . . . parsed_1rde 2
17 1 . . . parsed_1rde 2
18 1 . . . parsed_1rde 2
19 1 . . . parsed_1rde 2
20 1 . . . parsed_1rde 2
21 1 . . . parsed_1rde 2
22 1 . . . parsed_1rde 2
23 1 . . . parsed_1rde 2
24 1 . . . parsed_1rde 2
25 1 . . . parsed_1rde 2
26 1 . . . parsed_1rde 2
27 1 . . . parsed_1rde 2
28 1 . . . parsed_1rde 2
29 1 . . . parsed_1rde 2
30 1 . . . parsed_1rde 2
31 1 . . . parsed_1rde 2
32 1 . . . parsed_1rde 2
33 1 . . . parsed_1rde 2
34 1 . . . parsed_1rde 2
35 1 . . . parsed_1rde 2
36 1 . . . parsed_1rde 2
37 1 . . . parsed_1rde 2
38 1 . . . parsed_1rde 2
39 1 . . . parsed_1rde 2
40 1 . . . parsed_1rde 2
41 1 . . . parsed_1rde 2
42 1 . . . parsed_1rde 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 . . . . . . . . . 9 . H7* parsed_1rde 2
1 1 2 . . . . . . . . . 1 . H1 parsed_1rde 2
2 1 1 . . . . . . . . . 9 . H7* parsed_1rde 2
2 1 2 . . . . . . . . . 6 . H1 parsed_1rde 2
3 1 1 . . . . . . . . . 9 . H7* parsed_1rde 2
3 1 2 . . . . . . . . . 10 . H1 parsed_1rde 2
4 1 1 . . . . . . . . . 9 . H7* parsed_1rde 2
4 1 2 . . . . . . . . . 15 . H1 parsed_1rde 2
5 1 1 . . . . . . . . . 4 . H7* parsed_1rde 2
5 1 2 . . . . . . . . . 5 . H1 parsed_1rde 2
6 1 1 . . . . . . . . . 13 . H7* parsed_1rde 2
6 1 2 . . . . . . . . . 14 . H1 parsed_1rde 2
7 1 1 . . . . . . . . . 4 . H2' parsed_1rde 2
7 1 2 . . . . . . . . . 5 . H1 parsed_1rde 2
8 1 1 . . . . . . . . . 4 . H2'' parsed_1rde 2
8 1 2 . . . . . . . . . 5 . H1 parsed_1rde 2
9 1 1 . . . . . . . . . 13 . H2' parsed_1rde 2
9 1 2 . . . . . . . . . 14 . H1 parsed_1rde 2
10 1 1 . . . . . . . . . 13 . H2'' parsed_1rde 2
10 1 2 . . . . . . . . . 14 . H1 parsed_1rde 2
11 1 1 . . . . . . . . . 9 . H5' parsed_1rde 2
11 1 2 . . . . . . . . . 10 . H1 parsed_1rde 2
12 1 1 . . . . . . . . . 8 . H4' parsed_1rde 2
12 1 2 . . . . . . . . . 6 . H1 parsed_1rde 2
13 1 1 . . . . . . . . . 9 . H1' parsed_1rde 2
13 1 2 . . . . . . . . . 10 . H1 parsed_1rde 2
14 1 1 . . . . . . . . . 8 . H1' parsed_1rde 2
14 1 2 . . . . . . . . . 10 . H1 parsed_1rde 2
15 1 1 . . . . . . . . . 8 . H1' parsed_1rde 2
15 1 2 . . . . . . . . . 1 . H1 parsed_1rde 2
16 1 1 . . . . . . . . . 8 . H1' parsed_1rde 2
16 1 2 . . . . . . . . . 6 . H1 parsed_1rde 2
17 1 1 . . . . . . . . . 4 . H7* parsed_1rde 2
17 1 2 . . . . . . . . . 11 . H1 parsed_1rde 2
18 1 1 . . . . . . . . . 13 . H7* parsed_1rde 2
18 1 2 . . . . . . . . . 2 . H1 parsed_1rde 2
19 1 1 . . . . . . . . . 1 . H8 parsed_1rde 2
19 1 2 . . . . . . . . . 15 . H1 parsed_1rde 2
20 1 1 . . . . . . . . . 15 . H8 parsed_1rde 2
20 1 2 . . . . . . . . . 10 . H1 parsed_1rde 2
21 1 1 . . . . . . . . . 10 . H8 parsed_1rde 2
21 1 2 . . . . . . . . . 6 . H1 parsed_1rde 2
22 1 1 . . . . . . . . . 6 . H8 parsed_1rde 2
22 1 2 . . . . . . . . . 1 . H1 parsed_1rde 2
23 1 1 . . . . . . . . . 2 . H8 parsed_1rde 2
23 1 2 . . . . . . . . . 5 . H1 parsed_1rde 2
24 1 1 . . . . . . . . . 5 . H8 parsed_1rde 2
24 1 2 . . . . . . . . . 11 . H1 parsed_1rde 2
25 1 1 . . . . . . . . . 11 . H8 parsed_1rde 2
25 1 2 . . . . . . . . . 14 . H1 parsed_1rde 2
26 1 1 . . . . . . . . . 14 . H8 parsed_1rde 2
26 1 2 . . . . . . . . . 2 . H1 parsed_1rde 2
27 1 1 . . . . . . . . . 1 . H1 parsed_1rde 2
27 1 2 . . . . . . . . . 6 . H1 parsed_1rde 2
28 1 1 . . . . . . . . . 6 . H1 parsed_1rde 2
28 1 2 . . . . . . . . . 10 . H1 parsed_1rde 2
29 1 1 . . . . . . . . . 10 . H1 parsed_1rde 2
29 1 2 . . . . . . . . . 15 . H1 parsed_1rde 2
30 1 1 . . . . . . . . . 15 . H1 parsed_1rde 2
30 1 2 . . . . . . . . . 1 . H1 parsed_1rde 2
31 1 1 . . . . . . . . . 10 . H1 parsed_1rde 2
31 1 2 . . . . . . . . . 1 . H1 parsed_1rde 2
32 1 1 . . . . . . . . . 15 . H1 parsed_1rde 2
32 1 2 . . . . . . . . . 6 . H1 parsed_1rde 2
33 1 1 . . . . . . . . . 2 . H1 parsed_1rde 2
33 1 2 . . . . . . . . . 14 . H1 parsed_1rde 2
34 1 1 . . . . . . . . . 14 . H1 parsed_1rde 2
34 1 2 . . . . . . . . . 11 . H1 parsed_1rde 2
35 1 1 . . . . . . . . . 11 . H1 parsed_1rde 2
35 1 2 . . . . . . . . . 5 . H1 parsed_1rde 2
36 1 1 . . . . . . . . . 5 . H1 parsed_1rde 2
36 1 2 . . . . . . . . . 2 . H1 parsed_1rde 2
37 1 1 . . . . . . . . . 11 . H1 parsed_1rde 2
37 1 2 . . . . . . . . . 2 . H1 parsed_1rde 2
38 1 1 . . . . . . . . . 14 . H1 parsed_1rde 2
38 1 2 . . . . . . . . . 5 . H1 parsed_1rde 2
39 1 1 . . . . . . . . . 1 . H1 parsed_1rde 2
39 1 2 . . . . . . . . . 5 . H1 parsed_1rde 2
40 1 1 . . . . . . . . . 15 . H1 parsed_1rde 2
40 1 2 . . . . . . . . . 2 . H1 parsed_1rde 2
41 1 1 . . . . . . . . . 6 . H1 parsed_1rde 2
41 1 2 . . . . . . . . . 11 . H1 parsed_1rde 2
42 1 1 . . . . . . . . . 10 . H1 parsed_1rde 2
42 1 2 . . . . . . . . . 14 . H1 parsed_1rde 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 . . . . . 4.00 3.20 4.60 parsed_1rde 2
2 1 . . . . . 5.00 4.20 5.60 parsed_1rde 2
3 1 . . . . . 4.50 3.70 5.10 parsed_1rde 2
4 1 . . . . . 3.50 2.70 4.10 parsed_1rde 2
5 1 . . . . . 5.50 4.70 6.10 parsed_1rde 2
6 1 . . . . . 5.50 4.70 6.10 parsed_1rde 2
7 1 . . . . . 5.00 4.20 5.60 parsed_1rde 2
8 1 . . . . . 5.00 4.20 5.60 parsed_1rde 2
9 1 . . . . . 5.00 4.20 5.60 parsed_1rde 2
10 1 . . . . . 5.00 4.20 5.60 parsed_1rde 2
11 1 . . . . . 5.00 4.20 5.60 parsed_1rde 2
12 1 . . . . . 4.50 3.70 5.10 parsed_1rde 2
13 1 . . . . . 5.40 4.60 6.00 parsed_1rde 2
14 1 . . . . . 5.40 4.60 6.00 parsed_1rde 2
15 1 . . . . . 5.40 4.60 6.00 parsed_1rde 2
16 1 . . . . . 5.40 4.60 6.00 parsed_1rde 2
17 1 . . . . . 5.50 4.70 6.40 parsed_1rde 2
18 1 . . . . . 5.50 4.70 6.40 parsed_1rde 2
19 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
20 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
21 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
22 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
23 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
24 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
25 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
26 1 . . . . . 4.80 4.00 5.30 parsed_1rde 2
27 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
28 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
29 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
30 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
31 1 . . . . . 6.10 5.30 6.50 parsed_1rde 2
32 1 . . . . . 6.10 5.30 6.50 parsed_1rde 2
33 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
34 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
35 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
36 1 . . . . . 4.30 3.50 4.70 parsed_1rde 2
37 1 . . . . . 6.10 5.30 6.50 parsed_1rde 2
38 1 . . . . . 6.10 5.30 6.50 parsed_1rde 2
39 1 . . . . . 4.90 4.10 5.70 parsed_1rde 2
40 1 . . . . . 4.90 4.10 5.70 parsed_1rde 2
41 1 . . . . . 4.90 4.10 5.70 parsed_1rde 2
42 1 . . . . . 4.90 4.10 5.70 parsed_1rde 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 "Long range NOE in H2O" 2 1 2 24 parsed_1rde 2
2
;
============================================================
Suspected restraints
;
36 1 38 22 parsed_1rde 2
3 ============================================================== 44 1 44 64 parsed_1rde 2
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rde
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1rde 3
2 1 . . . parsed_1rde 3
3 1 . . . parsed_1rde 3
4 1 . . . parsed_1rde 3
5 1 . . . parsed_1rde 3
6 1 . . . parsed_1rde 3
7 1 . . . parsed_1rde 3
8 1 . . . parsed_1rde 3
9 1 . . . parsed_1rde 3
10 1 . . . parsed_1rde 3
11 1 . . . parsed_1rde 3
12 1 . . . parsed_1rde 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 . . . . . . . . . 4 . H2' parsed_1rde 3
1 1 2 . . . . . . . . . 5 . N2 parsed_1rde 3
2 1 1 . . . . . . . . . 4 . H2'' parsed_1rde 3
2 1 2 . . . . . . . . . 5 . N2 parsed_1rde 3
3 1 1 . . . . . . . . . 13 . H2' parsed_1rde 3
3 1 2 . . . . . . . . . 14 . N2 parsed_1rde 3
4 1 1 . . . . . . . . . 13 . H2'' parsed_1rde 3
4 1 2 . . . . . . . . . 14 . N2 parsed_1rde 3
5 1 1 . . . . . . . . . 1 . H8 parsed_1rde 3
5 1 2 . . . . . . . . . 15 . N2 parsed_1rde 3
6 1 1 . . . . . . . . . 6 . H8 parsed_1rde 3
6 1 2 . . . . . . . . . 1 . N2 parsed_1rde 3
7 1 1 . . . . . . . . . 10 . H8 parsed_1rde 3
7 1 2 . . . . . . . . . 6 . N2 parsed_1rde 3
8 1 1 . . . . . . . . . 15 . H8 parsed_1rde 3
8 1 2 . . . . . . . . . 10 . N2 parsed_1rde 3
9 1 1 . . . . . . . . . 2 . H8 parsed_1rde 3
9 1 2 . . . . . . . . . 5 . N2 parsed_1rde 3
10 1 1 . . . . . . . . . 5 . H8 parsed_1rde 3
10 1 2 . . . . . . . . . 11 . N2 parsed_1rde 3
11 1 1 . . . . . . . . . 11 . H8 parsed_1rde 3
11 1 2 . . . . . . . . . 14 . N2 parsed_1rde 3
12 1 1 . . . . . . . . . 14 . H8 parsed_1rde 3
12 1 2 . . . . . . . . . 2 . N2 parsed_1rde 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 . . . . . 5.50 4.70 6.40 parsed_1rde 3
2 1 . . . . . 5.50 4.70 6.40 parsed_1rde 3
3 1 . . . . . 5.50 4.70 6.40 parsed_1rde 3
4 1 . . . . . 5.50 4.70 6.40 parsed_1rde 3
5 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
6 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
7 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
8 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
9 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
10 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
11 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
12 1 . . . . . 3.60 3.00 4.10 parsed_1rde 3
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rde
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_1rde 4
2 1 . . . parsed_1rde 4
3 1 . . . parsed_1rde 4
4 1 . . . parsed_1rde 4
5 1 . . . parsed_1rde 4
6 1 . . . parsed_1rde 4
7 1 . . . parsed_1rde 4
8 1 . . . parsed_1rde 4
9 1 . . . parsed_1rde 4
10 1 . . . parsed_1rde 4
11 1 . . . parsed_1rde 4
12 1 . . . parsed_1rde 4
13 1 . . . parsed_1rde 4
14 1 . . . parsed_1rde 4
15 1 . . . parsed_1rde 4
16 1 . . . parsed_1rde 4
17 1 . . . parsed_1rde 4
18 1 . . . parsed_1rde 4
19 1 . . . parsed_1rde 4
20 1 . . . parsed_1rde 4
21 1 . . . parsed_1rde 4
22 1 . . . parsed_1rde 4
23 1 . . . parsed_1rde 4
24 1 . . . parsed_1rde 4
25 1 . . . parsed_1rde 4
26 1 . . . parsed_1rde 4
27 1 . . . parsed_1rde 4
28 1 . . . parsed_1rde 4
29 1 . . . parsed_1rde 4
30 1 . . . parsed_1rde 4
31 1 . . . parsed_1rde 4
32 1 . . . parsed_1rde 4
33 1 . . . parsed_1rde 4
34 1 . . . parsed_1rde 4
35 1 . . . parsed_1rde 4
36 1 . . . parsed_1rde 4
37 1 . . . parsed_1rde 4
38 1 . . . parsed_1rde 4
39 1 . . . parsed_1rde 4
40 1 . . . parsed_1rde 4
41 1 . . . parsed_1rde 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 . . . . . . . . . 5 . N7 parsed_1rde 4
1 1 2 . . . . . . . . . 2 . N3 parsed_1rde 4
2 1 1 . . . . . . . . . 11 . N7 parsed_1rde 4
2 1 2 . . . . . . . . . 5 . N3 parsed_1rde 4
3 1 1 . . . . . . . . . 14 . N7 parsed_1rde 4
3 1 2 . . . . . . . . . 11 . N3 parsed_1rde 4
4 1 1 . . . . . . . . . 2 . N7 parsed_1rde 4
4 1 2 . . . . . . . . . 14 . N3 parsed_1rde 4
5 1 1 . . . . . . . . . 1 . N7 parsed_1rde 4
5 1 2 . . . . . . . . . 6 . N3 parsed_1rde 4
6 1 1 . . . . . . . . . 6 . N7 parsed_1rde 4
6 1 2 . . . . . . . . . 10 . N3 parsed_1rde 4
7 1 1 . . . . . . . . . 10 . N7 parsed_1rde 4
7 1 2 . . . . . . . . . 15 . N3 parsed_1rde 4
8 1 1 . . . . . . . . . 15 . N7 parsed_1rde 4
8 1 2 . . . . . . . . . 1 . N3 parsed_1rde 4
9 1 1 . . . . . . . . . 5 . N9 parsed_1rde 4
9 1 2 . . . . . . . . . 2 . N9 parsed_1rde 4
10 1 1 . . . . . . . . . 11 . N9 parsed_1rde 4
10 1 2 . . . . . . . . . 5 . N9 parsed_1rde 4
11 1 1 . . . . . . . . . 14 . N9 parsed_1rde 4
11 1 2 . . . . . . . . . 11 . N9 parsed_1rde 4
12 1 1 . . . . . . . . . 2 . N9 parsed_1rde 4
12 1 2 . . . . . . . . . 14 . N9 parsed_1rde 4
13 1 1 . . . . . . . . . 1 . N9 parsed_1rde 4
13 1 2 . . . . . . . . . 6 . N9 parsed_1rde 4
14 1 1 . . . . . . . . . 6 . N9 parsed_1rde 4
14 1 2 . . . . . . . . . 10 . N9 parsed_1rde 4
15 1 1 . . . . . . . . . 10 . N9 parsed_1rde 4
15 1 2 . . . . . . . . . 15 . N9 parsed_1rde 4
16 1 1 . . . . . . . . . 15 . N9 parsed_1rde 4
16 1 2 . . . . . . . . . 1 . N9 parsed_1rde 4
17 1 1 . . . . . . . . . 5 . C8 parsed_1rde 4
17 1 2 . . . . . . . . . 2 . C4 parsed_1rde 4
18 1 1 . . . . . . . . . 11 . C8 parsed_1rde 4
18 1 2 . . . . . . . . . 5 . C4 parsed_1rde 4
19 1 1 . . . . . . . . . 14 . C8 parsed_1rde 4
19 1 2 . . . . . . . . . 11 . C4 parsed_1rde 4
20 1 1 . . . . . . . . . 2 . C8 parsed_1rde 4
20 1 2 . . . . . . . . . 14 . C4 parsed_1rde 4
21 1 1 . . . . . . . . . 1 . C8 parsed_1rde 4
21 1 2 . . . . . . . . . 6 . C4 parsed_1rde 4
22 1 1 . . . . . . . . . 6 . C8 parsed_1rde 4
22 1 2 . . . . . . . . . 10 . C4 parsed_1rde 4
23 1 1 . . . . . . . . . 10 . C8 parsed_1rde 4
23 1 2 . . . . . . . . . 15 . C4 parsed_1rde 4
24 1 1 . . . . . . . . . 15 . C8 parsed_1rde 4
24 1 2 . . . . . . . . . 1 . C4 parsed_1rde 4
25 1 1 . . . . . . . . . 5 . O6 parsed_1rde 4
25 1 2 . . . . . . . . . 14 . O6 parsed_1rde 4
26 1 1 . . . . . . . . . 2 . O6 parsed_1rde 4
26 1 2 . . . . . . . . . 11 . O6 parsed_1rde 4
27 1 1 . . . . . . . . . 10 . O6 parsed_1rde 4
27 1 2 . . . . . . . . . 1 . O6 parsed_1rde 4
28 1 1 . . . . . . . . . 6 . O6 parsed_1rde 4
28 1 2 . . . . . . . . . 15 . O6 parsed_1rde 4
29 1 1 . . . . . . . . . 1 . O6 parsed_1rde 4
29 1 2 . . . . . . . . . 6 . O6 parsed_1rde 4
30 1 1 . . . . . . . . . 6 . O6 parsed_1rde 4
30 1 2 . . . . . . . . . 10 . O6 parsed_1rde 4
31 1 1 . . . . . . . . . 10 . O6 parsed_1rde 4
31 1 2 . . . . . . . . . 15 . O6 parsed_1rde 4
32 1 1 . . . . . . . . . 15 . O6 parsed_1rde 4
32 1 2 . . . . . . . . . 1 . O6 parsed_1rde 4
33 1 1 . . . . . . . . . 2 . O6 parsed_1rde 4
33 1 2 . . . . . . . . . 5 . O6 parsed_1rde 4
34 1 1 . . . . . . . . . 5 . O6 parsed_1rde 4
34 1 2 . . . . . . . . . 11 . O6 parsed_1rde 4
35 1 1 . . . . . . . . . 11 . O6 parsed_1rde 4
35 1 2 . . . . . . . . . 14 . O6 parsed_1rde 4
36 1 1 . . . . . . . . . 14 . O6 parsed_1rde 4
36 1 2 . . . . . . . . . 2 . O6 parsed_1rde 4
37 1 1 . . . . . . . . . 1 . O6 parsed_1rde 4
37 1 2 . . . . . . . . . 11 . O6 parsed_1rde 4
38 1 1 . . . . . . . . . 6 . O6 parsed_1rde 4
38 1 2 . . . . . . . . . 14 . O6 parsed_1rde 4
39 1 1 . . . . . . . . . 2 . O6 parsed_1rde 4
39 1 2 . . . . . . . . . 10 . O6 parsed_1rde 4
40 1 1 . . . . . . . . . 5 . O6 parsed_1rde 4
40 1 2 . . . . . . . . . 15 . O6 parsed_1rde 4
41 1 1 . . . . . . . . . 4 . C7 parsed_1rde 4
41 1 2 . . . . . . . . . 13 . C7 parsed_1rde 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 . . . . . 10.00 9.20 10.50 parsed_1rde 4
2 1 . . . . . 10.00 9.20 10.50 parsed_1rde 4
3 1 . . . . . 10.00 9.20 10.50 parsed_1rde 4
4 1 . . . . . 10.00 9.20 10.50 parsed_1rde 4
5 1 . . . . . 10.00 9.20 10.50 parsed_1rde 4
6 1 . . . . . 10.00 9.20 10.50 parsed_1rde 4
7 1 . . . . . 10.00 9.20 10.50 parsed_1rde 4
8 1 . . . . . 10.00 9.20 10.50 parsed_1rde 4
9 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
10 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
11 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
12 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
13 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
14 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
15 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
16 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
17 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
18 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
19 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
20 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
21 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
22 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
23 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
24 1 . . . . . 9.5 8.7 10.2 parsed_1rde 4
25 1 . . . . . 4.40 4.00 4.80 parsed_1rde 4
26 1 . . . . . 4.40 4.00 4.80 parsed_1rde 4
27 1 . . . . . 4.40 4.00 4.80 parsed_1rde 4
28 1 . . . . . 4.40 4.00 4.80 parsed_1rde 4
29 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
30 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
31 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
32 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
33 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
34 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
35 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
36 1 . . . . . 3.00 2.70 3.20 parsed_1rde 4
37 1 . . . . . 5.30 5.10 5.60 parsed_1rde 4
38 1 . . . . . 5.30 5.10 5.60 parsed_1rde 4
39 1 . . . . . 5.30 5.10 5.60 parsed_1rde 4
40 1 . . . . . 5.30 5.10 5.60 parsed_1rde 4
41 1 . . . . . 7.30 7.00 8.80 parsed_1rde 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 "Artificial restraints to keep the tetraplex core nicer" 2 1 2 56 parsed_1rde 4
2 "Repulsive restraints" 98 1 98 23 parsed_1rde 4
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rde
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_1rde 5
2 1 . . . parsed_1rde 5
3 1 . . . parsed_1rde 5
4 1 . . . parsed_1rde 5
5 1 . . . parsed_1rde 5
6 1 . . . parsed_1rde 5
7 1 . . . parsed_1rde 5
8 1 . . . parsed_1rde 5
9 1 . . . parsed_1rde 5
10 1 . . . parsed_1rde 5
11 1 . . . parsed_1rde 5
12 1 . . . parsed_1rde 5
13 1 . . . parsed_1rde 5
14 1 . . . parsed_1rde 5
15 1 . . . parsed_1rde 5
16 1 . . . parsed_1rde 5
17 1 . . . parsed_1rde 5
18 1 . . . parsed_1rde 5
19 1 . . . parsed_1rde 5
20 1 . . . parsed_1rde 5
21 1 . . . parsed_1rde 5
22 1 . . . parsed_1rde 5
23 1 . . . parsed_1rde 5
24 1 . . . parsed_1rde 5
25 1 . . . parsed_1rde 5
26 1 . . . parsed_1rde 5
27 1 . . . parsed_1rde 5
28 1 . . . parsed_1rde 5
29 1 . . . parsed_1rde 5
30 1 . . . parsed_1rde 5
31 1 . . . parsed_1rde 5
32 1 . . . parsed_1rde 5
33 1 . . . parsed_1rde 5
34 1 . . . parsed_1rde 5
35 1 . . . parsed_1rde 5
36 1 . . . parsed_1rde 5
37 1 . . . parsed_1rde 5
38 1 . . . parsed_1rde 5
39 1 . . . parsed_1rde 5
40 1 . . . parsed_1rde 5
41 1 . . . parsed_1rde 5
42 1 . . . parsed_1rde 5
43 1 . . . parsed_1rde 5
44 1 . . . parsed_1rde 5
45 1 . . . parsed_1rde 5
46 1 . . . parsed_1rde 5
47 1 . . . parsed_1rde 5
48 1 . . . parsed_1rde 5
49 1 . . . parsed_1rde 5
50 1 . . . parsed_1rde 5
51 1 . . . parsed_1rde 5
52 1 . . . parsed_1rde 5
53 1 . . . parsed_1rde 5
54 1 . . . parsed_1rde 5
55 1 . . . parsed_1rde 5
56 1 . . . parsed_1rde 5
57 1 . . . parsed_1rde 5
58 1 . . . parsed_1rde 5
59 1 . . . parsed_1rde 5
60 1 . . . parsed_1rde 5
61 1 . . . parsed_1rde 5
62 1 . . . parsed_1rde 5
63 1 . . . parsed_1rde 5
64 1 . . . parsed_1rde 5
65 1 . . . parsed_1rde 5
66 1 . . . parsed_1rde 5
67 1 . . . parsed_1rde 5
68 1 . . . parsed_1rde 5
69 1 . . . parsed_1rde 5
70 1 . . . parsed_1rde 5
71 1 . . . parsed_1rde 5
72 1 . . . parsed_1rde 5
73 1 . . . parsed_1rde 5
74 1 . . . parsed_1rde 5
75 1 . . . parsed_1rde 5
76 1 . . . parsed_1rde 5
77 1 . . . parsed_1rde 5
78 1 . . . parsed_1rde 5
79 1 . . . parsed_1rde 5
80 1 . . . parsed_1rde 5
81 1 . . . parsed_1rde 5
82 1 . . . parsed_1rde 5
83 1 . . . parsed_1rde 5
84 1 . . . parsed_1rde 5
85 1 . . . parsed_1rde 5
86 1 . . . parsed_1rde 5
87 1 . . . parsed_1rde 5
88 1 . . . parsed_1rde 5
89 1 . . . parsed_1rde 5
90 1 . . . parsed_1rde 5
91 1 . . . parsed_1rde 5
92 1 . . . parsed_1rde 5
93 1 . . . parsed_1rde 5
94 1 . . . parsed_1rde 5
95 1 . . . parsed_1rde 5
96 1 . . . parsed_1rde 5
97 1 . . . parsed_1rde 5
98 1 . . . parsed_1rde 5
99 1 . . . parsed_1rde 5
100 1 . . . parsed_1rde 5
101 1 . . . parsed_1rde 5
102 1 . . . parsed_1rde 5
103 1 . . . parsed_1rde 5
104 1 . . . parsed_1rde 5
105 1 . . . parsed_1rde 5
106 1 . . . parsed_1rde 5
107 1 . . . parsed_1rde 5
108 1 . . . parsed_1rde 5
109 1 . . . parsed_1rde 5
110 1 . . . parsed_1rde 5
111 1 . . . parsed_1rde 5
112 1 . . . parsed_1rde 5
113 1 . . . parsed_1rde 5
114 1 . . . parsed_1rde 5
115 1 . . . parsed_1rde 5
116 1 . . . parsed_1rde 5
117 1 . . . parsed_1rde 5
118 1 . . . parsed_1rde 5
119 1 . . . parsed_1rde 5
120 1 . . . parsed_1rde 5
121 1 . . . parsed_1rde 5
122 1 . . . parsed_1rde 5
123 1 . . . parsed_1rde 5
124 1 . . . parsed_1rde 5
125 1 . . . parsed_1rde 5
126 1 . . . parsed_1rde 5
127 1 . . . parsed_1rde 5
128 1 . . . parsed_1rde 5
129 1 . . . parsed_1rde 5
130 1 . . . parsed_1rde 5
131 1 . . . parsed_1rde 5
132 1 . . . parsed_1rde 5
133 1 . . . parsed_1rde 5
134 1 . . . parsed_1rde 5
135 1 . . . parsed_1rde 5
136 1 . . . parsed_1rde 5
137 1 . . . parsed_1rde 5
138 1 . . . parsed_1rde 5
139 1 . . . parsed_1rde 5
140 1 . . . parsed_1rde 5
141 1 . . . parsed_1rde 5
142 1 . . . parsed_1rde 5
143 1 . . . parsed_1rde 5
144 1 . . . parsed_1rde 5
145 1 . . . parsed_1rde 5
146 1 . . . parsed_1rde 5
147 1 . . . parsed_1rde 5
148 1 . . . parsed_1rde 5
149 1 . . . parsed_1rde 5
150 1 . . . parsed_1rde 5
151 1 . . . parsed_1rde 5
152 1 . . . parsed_1rde 5
153 1 . . . parsed_1rde 5
154 1 . . . parsed_1rde 5
155 1 . . . parsed_1rde 5
156 1 . . . parsed_1rde 5
157 1 . . . parsed_1rde 5
158 1 . . . parsed_1rde 5
159 1 . . . parsed_1rde 5
160 1 . . . parsed_1rde 5
161 1 . . . parsed_1rde 5
162 1 . . . parsed_1rde 5
163 1 . . . parsed_1rde 5
164 1 . . . parsed_1rde 5
165 1 . . . parsed_1rde 5
166 1 . . . parsed_1rde 5
167 1 . . . parsed_1rde 5
168 1 . . . parsed_1rde 5
169 1 . . . parsed_1rde 5
170 1 . . . parsed_1rde 5
171 1 . . . parsed_1rde 5
172 1 . . . parsed_1rde 5
173 1 . . . parsed_1rde 5
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 . H8 parsed_1rde 5
1 1 2 . . . . . . . . . 1 . H1' parsed_1rde 5
2 1 1 . . . . . . . . . 1 . H2'' parsed_1rde 5
2 1 2 . . . . . . . . . 1 . H1' parsed_1rde 5
3 1 1 . . . . . . . . . 1 . H2' parsed_1rde 5
3 1 2 . . . . . . . . . 1 . H8 parsed_1rde 5
4 1 1 . . . . . . . . . 1 . H2' parsed_1rde 5
4 1 2 . . . . . . . . . 1 . H1' parsed_1rde 5
5 1 1 . . . . . . . . . 1 . H2'' parsed_1rde 5
5 1 2 . . . . . . . . . 1 . H8 parsed_1rde 5
6 1 1 . . . . . . . . . 1 . H3' parsed_1rde 5
6 1 2 . . . . . . . . . 1 . H1' parsed_1rde 5
7 1 1 . . . . . . . . . 2 . H8 parsed_1rde 5
7 1 2 . . . . . . . . . 1 . H1' parsed_1rde 5
8 1 1 . . . . . . . . . 2 . H8 parsed_1rde 5
8 1 2 . . . . . . . . . 1 . H2' parsed_1rde 5
9 1 1 . . . . . . . . . 2 . H8 parsed_1rde 5
9 1 2 . . . . . . . . . 1 . H2'' parsed_1rde 5
10 1 1 . . . . . . . . . 2 . H8 parsed_1rde 5
10 1 2 . . . . . . . . . 1 . H3' parsed_1rde 5
11 1 1 . . . . . . . . . 2 . H8 parsed_1rde 5
11 1 2 . . . . . . . . . 2 . H1' parsed_1rde 5
12 1 1 . . . . . . . . . 2 . H2' parsed_1rde 5
12 1 2 . . . . . . . . . 2 . H1' parsed_1rde 5
13 1 1 . . . . . . . . . 2 . H2'' parsed_1rde 5
13 1 2 . . . . . . . . . 2 . H1' parsed_1rde 5
14 1 1 . . . . . . . . . 2 . H2' parsed_1rde 5
14 1 2 . . . . . . . . . 2 . H8 parsed_1rde 5
15 1 1 . . . . . . . . . 2 . H2'' parsed_1rde 5
15 1 2 . . . . . . . . . 2 . H8 parsed_1rde 5
16 1 1 . . . . . . . . . 2 . H3' parsed_1rde 5
16 1 2 . . . . . . . . . 2 . H1' parsed_1rde 5
17 1 1 . . . . . . . . . 2 . H3' parsed_1rde 5
17 1 2 . . . . . . . . . 2 . H8 parsed_1rde 5
18 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
18 1 2 . . . . . . . . . 2 . H1' parsed_1rde 5
19 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
19 1 2 . . . . . . . . . 2 . H2'' parsed_1rde 5
20 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
20 1 2 . . . . . . . . . 2 . H3' parsed_1rde 5
21 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
21 1 2 . . . . . . . . . 3 . H5' parsed_1rde 5
22 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
22 1 2 . . . . . . . . . 3 . H5'' parsed_1rde 5
23 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
23 1 2 . . . . . . . . . 3 . H4' parsed_1rde 5
24 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
24 1 2 . . . . . . . . . 3 . H1' parsed_1rde 5
25 1 1 . . . . . . . . . 3 . H7* parsed_1rde 5
25 1 2 . . . . . . . . . 2 . H4' parsed_1rde 5
26 1 1 . . . . . . . . . 3 . H7* parsed_1rde 5
26 1 2 . . . . . . . . . 2 . H1' parsed_1rde 5
27 1 1 . . . . . . . . . 3 . H2' parsed_1rde 5
27 1 2 . . . . . . . . . 3 . H1' parsed_1rde 5
28 1 1 . . . . . . . . . 3 . H2'' parsed_1rde 5
28 1 2 . . . . . . . . . 3 . H1' parsed_1rde 5
29 1 1 . . . . . . . . . 3 . H2'' parsed_1rde 5
29 1 2 . . . . . . . . . 3 . H6 parsed_1rde 5
30 1 1 . . . . . . . . . 3 . H3' parsed_1rde 5
30 1 2 . . . . . . . . . 3 . H1' parsed_1rde 5
31 1 1 . . . . . . . . . 3 . H3' parsed_1rde 5
31 1 2 . . . . . . . . . 3 . H6 parsed_1rde 5
32 1 1 . . . . . . . . . 4 . H1' parsed_1rde 5
32 1 2 . . . . . . . . . 4 . H4' parsed_1rde 5
33 1 1 . . . . . . . . . 4 . H6 parsed_1rde 5
33 1 2 . . . . . . . . . 2 . H8 parsed_1rde 5
34 1 1 . . . . . . . . . 4 . H6 parsed_1rde 5
34 1 2 . . . . . . . . . 3 . H2' parsed_1rde 5
35 1 1 . . . . . . . . . 4 . H6 parsed_1rde 5
35 1 2 . . . . . . . . . 4 . H5' parsed_1rde 5
36 1 1 . . . . . . . . . 4 . H6 parsed_1rde 5
36 1 2 . . . . . . . . . 4 . H5'' parsed_1rde 5
37 1 1 . . . . . . . . . 4 . H6 parsed_1rde 5
37 1 2 . . . . . . . . . 4 . H4' parsed_1rde 5
38 1 1 . . . . . . . . . 4 . H6 parsed_1rde 5
38 1 2 . . . . . . . . . 4 . H1' parsed_1rde 5
39 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
39 1 2 . . . . . . . . . 2 . H1' parsed_1rde 5
40 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
40 1 2 . . . . . . . . . 2 . H8 parsed_1rde 5
41 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
41 1 2 . . . . . . . . . 2 . H2' parsed_1rde 5
42 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
42 1 2 . . . . . . . . . 2 . H2'' parsed_1rde 5
43 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
43 1 2 . . . . . . . . . 3 . H7* parsed_1rde 5
44 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
44 1 2 . . . . . . . . . 3 . H2' parsed_1rde 5
45 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
45 1 2 . . . . . . . . . 3 . H2'' parsed_1rde 5
46 1 1 . . . . . . . . . 4 . H7* parsed_1rde 5
46 1 2 . . . . . . . . . 3 . H3' parsed_1rde 5
47 1 1 . . . . . . . . . 4 . H2' parsed_1rde 5
47 1 2 . . . . . . . . . 2 . H8 parsed_1rde 5
48 1 1 . . . . . . . . . 4 . H2' parsed_1rde 5
48 1 2 . . . . . . . . . 4 . H1' parsed_1rde 5
49 1 1 . . . . . . . . . 4 . H2' parsed_1rde 5
49 1 2 . . . . . . . . . 4 . H6 parsed_1rde 5
50 1 1 . . . . . . . . . 4 . H2'' parsed_1rde 5
50 1 2 . . . . . . . . . 4 . H1' parsed_1rde 5
51 1 1 . . . . . . . . . 4 . H2'' parsed_1rde 5
51 1 2 . . . . . . . . . 4 . H6 parsed_1rde 5
52 1 1 . . . . . . . . . 4 . H3' parsed_1rde 5
52 1 2 . . . . . . . . . 4 . H1' parsed_1rde 5
53 1 1 . . . . . . . . . 5 . H8 parsed_1rde 5
53 1 2 . . . . . . . . . 5 . H1' parsed_1rde 5
54 1 1 . . . . . . . . . 5 . H2' parsed_1rde 5
54 1 2 . . . . . . . . . 5 . H1' parsed_1rde 5
55 1 1 . . . . . . . . . 5 . H2' parsed_1rde 5
55 1 2 . . . . . . . . . 5 . H8 parsed_1rde 5
56 1 1 . . . . . . . . . 5 . H2'' parsed_1rde 5
56 1 2 . . . . . . . . . 5 . H1' parsed_1rde 5
57 1 1 . . . . . . . . . 5 . H2'' parsed_1rde 5
57 1 2 . . . . . . . . . 5 . H8 parsed_1rde 5
58 1 1 . . . . . . . . . 5 . H2'' parsed_1rde 5
58 1 2 . . . . . . . . . 5 . H2' parsed_1rde 5
59 1 1 . . . . . . . . . 5 . H3' parsed_1rde 5
59 1 2 . . . . . . . . . 5 . H1' parsed_1rde 5
60 1 1 . . . . . . . . . 6 . H4' parsed_1rde 5
60 1 2 . . . . . . . . . 5 . H8 parsed_1rde 5
61 1 1 . . . . . . . . . 6 . H8 parsed_1rde 5
61 1 2 . . . . . . . . . 5 . H1' parsed_1rde 5
62 1 1 . . . . . . . . . 6 . H8 parsed_1rde 5
62 1 2 . . . . . . . . . 5 . H2' parsed_1rde 5
63 1 1 . . . . . . . . . 6 . H8 parsed_1rde 5
63 1 2 . . . . . . . . . 5 . H2'' parsed_1rde 5
64 1 1 . . . . . . . . . 6 . H8 parsed_1rde 5
64 1 2 . . . . . . . . . 6 . H1' parsed_1rde 5
65 1 1 . . . . . . . . . 6 . H2' parsed_1rde 5
65 1 2 . . . . . . . . . 6 . H1' parsed_1rde 5
66 1 1 . . . . . . . . . 6 . H2' parsed_1rde 5
66 1 2 . . . . . . . . . 6 . H8 parsed_1rde 5
67 1 1 . . . . . . . . . 6 . H2'' parsed_1rde 5
67 1 2 . . . . . . . . . 6 . H1' parsed_1rde 5
68 1 1 . . . . . . . . . 6 . H2'' parsed_1rde 5
68 1 2 . . . . . . . . . 6 . H8 parsed_1rde 5
69 1 1 . . . . . . . . . 6 . H3' parsed_1rde 5
69 1 2 . . . . . . . . . 6 . H1' parsed_1rde 5
70 1 1 . . . . . . . . . 6 . H3' parsed_1rde 5
70 1 2 . . . . . . . . . 6 . H8 parsed_1rde 5
71 1 1 . . . . . . . . . 7 . H6 parsed_1rde 5
71 1 2 . . . . . . . . . 7 . H5' parsed_1rde 5
72 1 1 . . . . . . . . . 7 . H6 parsed_1rde 5
72 1 2 . . . . . . . . . 7 . H5'' parsed_1rde 5
73 1 1 . . . . . . . . . 7 . H7* parsed_1rde 5
73 1 2 . . . . . . . . . 6 . H4' parsed_1rde 5
74 1 1 . . . . . . . . . 7 . H2' parsed_1rde 5
74 1 2 . . . . . . . . . 7 . H1' parsed_1rde 5
75 1 1 . . . . . . . . . 7 . H2' parsed_1rde 5
75 1 2 . . . . . . . . . 7 . H6 parsed_1rde 5
76 1 1 . . . . . . . . . 7 . H2'' parsed_1rde 5
76 1 2 . . . . . . . . . 7 . H1' parsed_1rde 5
77 1 1 . . . . . . . . . 7 . H2'' parsed_1rde 5
77 1 2 . . . . . . . . . 7 . H6 parsed_1rde 5
78 1 1 . . . . . . . . . 7 . H3' parsed_1rde 5
78 1 2 . . . . . . . . . 7 . H1' parsed_1rde 5
79 1 1 . . . . . . . . . 8 . H8 parsed_1rde 5
79 1 2 . . . . . . . . . 6 . H2' parsed_1rde 5
80 1 1 . . . . . . . . . 8 . H8 parsed_1rde 5
80 1 2 . . . . . . . . . 7 . H6 parsed_1rde 5
81 1 1 . . . . . . . . . 8 . H8 parsed_1rde 5
81 1 2 . . . . . . . . . 7 . H2'' parsed_1rde 5
82 1 1 . . . . . . . . . 8 . H8 parsed_1rde 5
82 1 2 . . . . . . . . . 8 . H5' parsed_1rde 5
83 1 1 . . . . . . . . . 8 . H8 parsed_1rde 5
83 1 2 . . . . . . . . . 8 . H5'' parsed_1rde 5
84 1 1 . . . . . . . . . 8 . H8 parsed_1rde 5
84 1 2 . . . . . . . . . 8 . H4' parsed_1rde 5
85 1 1 . . . . . . . . . 8 . H8 parsed_1rde 5
85 1 2 . . . . . . . . . 8 . H1' parsed_1rde 5
86 1 1 . . . . . . . . . 8 . H2'' parsed_1rde 5
86 1 2 . . . . . . . . . 8 . H1' parsed_1rde 5
87 1 1 . . . . . . . . . 8 . H2'' parsed_1rde 5
87 1 2 . . . . . . . . . 8 . H8 parsed_1rde 5
88 1 1 . . . . . . . . . 8 . H2' parsed_1rde 5
88 1 2 . . . . . . . . . 8 . H1' parsed_1rde 5
89 1 1 . . . . . . . . . 8 . H2' parsed_1rde 5
89 1 2 . . . . . . . . . 8 . H8 parsed_1rde 5
90 1 1 . . . . . . . . . 8 . H3' parsed_1rde 5
90 1 2 . . . . . . . . . 8 . H1' parsed_1rde 5
91 1 1 . . . . . . . . . 8 . H3' parsed_1rde 5
91 1 2 . . . . . . . . . 8 . H8 parsed_1rde 5
92 1 1 . . . . . . . . . 9 . H1' parsed_1rde 5
92 1 2 . . . . . . . . . 9 . H4' parsed_1rde 5
93 1 1 . . . . . . . . . 9 . H6 parsed_1rde 5
93 1 2 . . . . . . . . . 8 . H4' parsed_1rde 5
94 1 1 . . . . . . . . . 9 . H6 parsed_1rde 5
94 1 2 . . . . . . . . . 9 . H5' parsed_1rde 5
95 1 1 . . . . . . . . . 9 . H6 parsed_1rde 5
95 1 2 . . . . . . . . . 9 . H5'' parsed_1rde 5
96 1 1 . . . . . . . . . 9 . H6 parsed_1rde 5
96 1 2 . . . . . . . . . 9 . H4' parsed_1rde 5
97 1 1 . . . . . . . . . 9 . H6 parsed_1rde 5
97 1 2 . . . . . . . . . 9 . H1' parsed_1rde 5
98 1 1 . . . . . . . . . 9 . H7* parsed_1rde 5
98 1 2 . . . . . . . . . 8 . H4' parsed_1rde 5
99 1 1 . . . . . . . . . 9 . H7* parsed_1rde 5
99 1 2 . . . . . . . . . 8 . H1' parsed_1rde 5
100 1 1 . . . . . . . . . 9 . H7* parsed_1rde 5
100 1 2 . . . . . . . . . 9 . H1' parsed_1rde 5
101 1 1 . . . . . . . . . 9 . H2'' parsed_1rde 5
101 1 2 . . . . . . . . . 9 . H1' parsed_1rde 5
102 1 1 . . . . . . . . . 9 . H2' parsed_1rde 5
102 1 2 . . . . . . . . . 9 . H6 parsed_1rde 5
103 1 1 . . . . . . . . . 9 . H2' parsed_1rde 5
103 1 2 . . . . . . . . . 9 . H1' parsed_1rde 5
104 1 1 . . . . . . . . . 9 . H3' parsed_1rde 5
104 1 2 . . . . . . . . . 9 . H1' parsed_1rde 5
105 1 1 . . . . . . . . . 10 . H8 parsed_1rde 5
105 1 2 . . . . . . . . . 10 . H5' parsed_1rde 5
106 1 1 . . . . . . . . . 10 . H8 parsed_1rde 5
106 1 2 . . . . . . . . . 10 . H1' parsed_1rde 5
107 1 1 . . . . . . . . . 10 . H2' parsed_1rde 5
107 1 2 . . . . . . . . . 10 . H1' parsed_1rde 5
108 1 1 . . . . . . . . . 10 . H2'' parsed_1rde 5
108 1 2 . . . . . . . . . 10 . H1' parsed_1rde 5
109 1 1 . . . . . . . . . 10 . H2'' parsed_1rde 5
109 1 2 . . . . . . . . . 10 . H8 parsed_1rde 5
110 1 1 . . . . . . . . . 10 . H2'' parsed_1rde 5
110 1 2 . . . . . . . . . 10 . H2' parsed_1rde 5
111 1 1 . . . . . . . . . 10 . H3' parsed_1rde 5
111 1 2 . . . . . . . . . 10 . H1' parsed_1rde 5
112 1 1 . . . . . . . . . 11 . H8 parsed_1rde 5
112 1 2 . . . . . . . . . 10 . H1' parsed_1rde 5
113 1 1 . . . . . . . . . 11 . H8 parsed_1rde 5
113 1 2 . . . . . . . . . 10 . H2' parsed_1rde 5
114 1 1 . . . . . . . . . 11 . H8 parsed_1rde 5
114 1 2 . . . . . . . . . 10 . H2'' parsed_1rde 5
115 1 1 . . . . . . . . . 11 . H8 parsed_1rde 5
115 1 2 . . . . . . . . . 11 . H1' parsed_1rde 5
116 1 1 . . . . . . . . . 11 . H1' parsed_1rde 5
116 1 2 . . . . . . . . . 12 . H6 parsed_1rde 5
117 1 1 . . . . . . . . . 11 . H2' parsed_1rde 5
117 1 2 . . . . . . . . . 11 . H8 parsed_1rde 5
118 1 1 . . . . . . . . . 11 . H2'' parsed_1rde 5
118 1 2 . . . . . . . . . 11 . H8 parsed_1rde 5
119 1 1 . . . . . . . . . 11 . H3' parsed_1rde 5
119 1 2 . . . . . . . . . 11 . H1' parsed_1rde 5
120 1 1 . . . . . . . . . 11 . H3' parsed_1rde 5
120 1 2 . . . . . . . . . 11 . H8 parsed_1rde 5
121 1 1 . . . . . . . . . 12 . H6 parsed_1rde 5
121 1 2 . . . . . . . . . 11 . H2'' parsed_1rde 5
122 1 1 . . . . . . . . . 12 . H6 parsed_1rde 5
122 1 2 . . . . . . . . . 11 . H8 parsed_1rde 5
123 1 1 . . . . . . . . . 12 . H6 parsed_1rde 5
123 1 2 . . . . . . . . . 12 . H1' parsed_1rde 5
124 1 1 . . . . . . . . . 12 . H2' parsed_1rde 5
124 1 2 . . . . . . . . . 12 . H1' parsed_1rde 5
125 1 1 . . . . . . . . . 12 . H2'' parsed_1rde 5
125 1 2 . . . . . . . . . 12 . H1' parsed_1rde 5
126 1 1 . . . . . . . . . 12 . H2'' parsed_1rde 5
126 1 2 . . . . . . . . . 12 . H6 parsed_1rde 5
127 1 1 . . . . . . . . . 13 . H1' parsed_1rde 5
127 1 2 . . . . . . . . . 12 . H7* parsed_1rde 5
128 1 1 . . . . . . . . . 13 . H6 parsed_1rde 5
128 1 2 . . . . . . . . . 11 . H8 parsed_1rde 5
129 1 1 . . . . . . . . . 13 . H6 parsed_1rde 5
129 1 2 . . . . . . . . . 12 . H2'' parsed_1rde 5
130 1 1 . . . . . . . . . 13 . H6 parsed_1rde 5
130 1 2 . . . . . . . . . 13 . H5' parsed_1rde 5
131 1 1 . . . . . . . . . 13 . H6 parsed_1rde 5
131 1 2 . . . . . . . . . 13 . H5'' parsed_1rde 5
132 1 1 . . . . . . . . . 13 . H6 parsed_1rde 5
132 1 2 . . . . . . . . . 13 . H4' parsed_1rde 5
133 1 1 . . . . . . . . . 13 . H6 parsed_1rde 5
133 1 2 . . . . . . . . . 13 . H1' parsed_1rde 5
134 1 1 . . . . . . . . . 13 . H7* parsed_1rde 5
134 1 2 . . . . . . . . . 11 . H1' parsed_1rde 5
135 1 1 . . . . . . . . . 13 . H7* parsed_1rde 5
135 1 2 . . . . . . . . . 11 . H8 parsed_1rde 5
136 1 1 . . . . . . . . . 13 . H7* parsed_1rde 5
136 1 2 . . . . . . . . . 11 . H2' parsed_1rde 5
137 1 1 . . . . . . . . . 13 . H7* parsed_1rde 5
137 1 2 . . . . . . . . . 11 . H2'' parsed_1rde 5
138 1 1 . . . . . . . . . 13 . H7* parsed_1rde 5
138 1 2 . . . . . . . . . 12 . H7* parsed_1rde 5
139 1 1 . . . . . . . . . 13 . H7* parsed_1rde 5
139 1 2 . . . . . . . . . 12 . H2' parsed_1rde 5
140 1 1 . . . . . . . . . 13 . H7* parsed_1rde 5
140 1 2 . . . . . . . . . 12 . H3' parsed_1rde 5
141 1 1 . . . . . . . . . 13 . H2' parsed_1rde 5
141 1 2 . . . . . . . . . 11 . H8 parsed_1rde 5
142 1 1 . . . . . . . . . 13 . H2' parsed_1rde 5
142 1 2 . . . . . . . . . 13 . H6 parsed_1rde 5
143 1 1 . . . . . . . . . 13 . H2'' parsed_1rde 5
143 1 2 . . . . . . . . . 13 . H1' parsed_1rde 5
144 1 1 . . . . . . . . . 13 . H2'' parsed_1rde 5
144 1 2 . . . . . . . . . 13 . H6 parsed_1rde 5
145 1 1 . . . . . . . . . 13 . H3' parsed_1rde 5
145 1 2 . . . . . . . . . 13 . H6 parsed_1rde 5
146 1 1 . . . . . . . . . 14 . H8 parsed_1rde 5
146 1 2 . . . . . . . . . 14 . H1' parsed_1rde 5
147 1 1 . . . . . . . . . 14 . H2' parsed_1rde 5
147 1 2 . . . . . . . . . 14 . H1' parsed_1rde 5
148 1 1 . . . . . . . . . 14 . H2' parsed_1rde 5
148 1 2 . . . . . . . . . 14 . H8 parsed_1rde 5
149 1 1 . . . . . . . . . 14 . H2'' parsed_1rde 5
149 1 2 . . . . . . . . . 14 . H1' parsed_1rde 5
150 1 1 . . . . . . . . . 14 . H2'' parsed_1rde 5
150 1 2 . . . . . . . . . 14 . H8 parsed_1rde 5
151 1 1 . . . . . . . . . 14 . H2'' parsed_1rde 5
151 1 2 . . . . . . . . . 14 . H2' parsed_1rde 5
152 1 1 . . . . . . . . . 14 . H3' parsed_1rde 5
152 1 2 . . . . . . . . . 14 . H1' parsed_1rde 5
153 1 1 . . . . . . . . . 15 . H4' parsed_1rde 5
153 1 2 . . . . . . . . . 14 . H8 parsed_1rde 5
154 1 1 . . . . . . . . . 15 . H1' parsed_1rde 5
154 1 2 . . . . . . . . . 14 . H8 parsed_1rde 5
155 1 1 . . . . . . . . . 15 . H1' parsed_1rde 5
155 1 2 . . . . . . . . . 15 . H4' parsed_1rde 5
156 1 1 . . . . . . . . . 15 . H8 parsed_1rde 5
156 1 2 . . . . . . . . . 9 . H1' parsed_1rde 5
157 1 1 . . . . . . . . . 15 . H8 parsed_1rde 5
157 1 2 . . . . . . . . . 14 . H1' parsed_1rde 5
158 1 1 . . . . . . . . . 15 . H8 parsed_1rde 5
158 1 2 . . . . . . . . . 14 . H2' parsed_1rde 5
159 1 1 . . . . . . . . . 15 . H8 parsed_1rde 5
159 1 2 . . . . . . . . . 14 . H2'' parsed_1rde 5
160 1 1 . . . . . . . . . 15 . H8 parsed_1rde 5
160 1 2 . . . . . . . . . 15 . H4' parsed_1rde 5
161 1 1 . . . . . . . . . 15 . H8 parsed_1rde 5
161 1 2 . . . . . . . . . 15 . H1' parsed_1rde 5
162 1 1 . . . . . . . . . 15 . H2' parsed_1rde 5
162 1 2 . . . . . . . . . 15 . H1' parsed_1rde 5
163 1 1 . . . . . . . . . 15 . H2' parsed_1rde 5
163 1 2 . . . . . . . . . 15 . H8 parsed_1rde 5
164 1 1 . . . . . . . . . 15 . H2'' parsed_1rde 5
164 1 2 . . . . . . . . . 15 . H1' parsed_1rde 5
165 1 1 . . . . . . . . . 15 . H2'' parsed_1rde 5
165 1 2 . . . . . . . . . 15 . H8 parsed_1rde 5
166 1 1 . . . . . . . . . 15 . H3' parsed_1rde 5
166 1 2 . . . . . . . . . 15 . H1' parsed_1rde 5
167 1 1 . . . . . . . . . 15 . H3' parsed_1rde 5
167 1 2 . . . . . . . . . 15 . H8 parsed_1rde 5
168 1 1 . . . . . . . . . 15 . H3' parsed_1rde 5
168 1 2 . . . . . . . . . 15 . H8 parsed_1rde 5
169 1 1 . . . . . . . . . 15 . H3' parsed_1rde 5
169 1 2 . . . . . . . . . 15 . H8 parsed_1rde 5
170 1 1 . . . . . . . . . 11 . H8 parsed_1rde 5
170 1 2 . . . . . . . . . 12 . H6 parsed_1rde 5
171 1 1 . . . . . . . . . 2 . H8 parsed_1rde 5
171 1 2 . . . . . . . . . 3 . H6 parsed_1rde 5
172 1 1 . . . . . . . . . 3 . H6 parsed_1rde 5
172 1 2 . . . . . . . . . 4 . H6 parsed_1rde 5
173 1 1 . . . . . . . . . 12 . H6 parsed_1rde 5
173 1 2 . . . . . . . . . 13 . H6 parsed_1rde 5
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 . . . . . 2.873 1.873 3.573 parsed_1rde 5
2 1 . . . . . 2.875 1.875 3.575 parsed_1rde 5
3 1 . . . . . 4.474 3.474 5.174 parsed_1rde 5
4 1 . . . . . 3.081 2.081 3.781 parsed_1rde 5
5 1 . . . . . 5.033 4.033 5.733 parsed_1rde 5
6 1 . . . . . 3.833 2.833 4.533 parsed_1rde 5
7 1 . . . . . 4.333 3.333 5.033 parsed_1rde 5
8 1 . . . . . 3.490 2.490 4.190 parsed_1rde 5
9 1 . . . . . 2.763 1.763 3.463 parsed_1rde 5
10 1 . . . . . 5.467 4.467 6.167 parsed_1rde 5
11 1 . . . . . 3.963 2.963 4.663 parsed_1rde 5
12 1 . . . . . 3.199 2.199 3.899 parsed_1rde 5
13 1 . . . . . 2.699 1.699 3.399 parsed_1rde 5
14 1 . . . . . 2.499 1.499 3.199 parsed_1rde 5
15 1 . . . . . 2.947 1.947 3.647 parsed_1rde 5
16 1 . . . . . 3.819 2.819 4.519 parsed_1rde 5
17 1 . . . . . 4.198 3.198 4.898 parsed_1rde 5
18 1 . . . . . 4.512 3.512 5.212 parsed_1rde 5
19 1 . . . . . 3.230 2.230 3.930 parsed_1rde 5
20 1 . . . . . 4.340 3.340 5.040 parsed_1rde 5
21 1 . . . . . 4.012 3.012 5.212 parsed_1rde 5
22 1 . . . . . 3.648 2.648 4.848 parsed_1rde 5
23 1 . . . . . 4.024 3.024 5.224 parsed_1rde 5
24 1 . . . . . 3.923 2.923 4.623 parsed_1rde 5
25 1 . . . . . 4.920 3.920 6.120 parsed_1rde 5
26 1 . . . . . 4.377 3.377 5.577 parsed_1rde 5
27 1 . . . . . 3.412 2.412 4.112 parsed_1rde 5
28 1 . . . . . 2.489 1.489 3.189 parsed_1rde 5
29 1 . . . . . 3.009 2.009 3.709 parsed_1rde 5
30 1 . . . . . 3.699 2.699 4.399 parsed_1rde 5
31 1 . . . . . 4.773 3.773 5.473 parsed_1rde 5
32 1 . . . . . 4.375 3.375 5.575 parsed_1rde 5
33 1 . . . . . 5.438 4.438 6.138 parsed_1rde 5
34 1 . . . . . 4.610 3.610 5.310 parsed_1rde 5
35 1 . . . . . 5.314 4.314 6.514 parsed_1rde 5
36 1 . . . . . 4.463 3.463 5.663 parsed_1rde 5
37 1 . . . . . 5.438 4.438 6.638 parsed_1rde 5
38 1 . . . . . 3.831 2.831 4.531 parsed_1rde 5
39 1 . . . . . 3.765 2.765 4.965 parsed_1rde 5
40 1 . . . . . 4.682 3.682 5.882 parsed_1rde 5
41 1 . . . . . 5.791 4.791 6.991 parsed_1rde 5
42 1 . . . . . 4.575 3.575 5.775 parsed_1rde 5
43 1 . . . . . 5.986 4.986 7.186 parsed_1rde 5
44 1 . . . . . 3.137 2.137 4.337 parsed_1rde 5
45 1 . . . . . 3.696 2.696 4.896 parsed_1rde 5
46 1 . . . . . 5.624 4.624 6.824 parsed_1rde 5
47 1 . . . . . 4.991 3.991 5.691 parsed_1rde 5
48 1 . . . . . 3.284 2.284 3.984 parsed_1rde 5
49 1 . . . . . 3.542 2.542 4.242 parsed_1rde 5
50 1 . . . . . 2.808 1.808 3.508 parsed_1rde 5
51 1 . . . . . 3.185 2.185 3.885 parsed_1rde 5
52 1 . . . . . 3.804 2.804 4.504 parsed_1rde 5
53 1 . . . . . 2.292 1.292 2.992 parsed_1rde 5
54 1 . . . . . 3.255 2.255 3.955 parsed_1rde 5
55 1 . . . . . 4.707 3.707 5.407 parsed_1rde 5
56 1 . . . . . 2.463 1.463 3.163 parsed_1rde 5
57 1 . . . . . 4.810 3.810 5.510 parsed_1rde 5
58 1 . . . . . 1.830 0.830 2.530 parsed_1rde 5
59 1 . . . . . 3.853 2.853 4.553 parsed_1rde 5
60 1 . . . . . 4.947 3.947 6.147 parsed_1rde 5
61 1 . . . . . 5.774 4.774 6.474 parsed_1rde 5
62 1 . . . . . 4.259 3.259 4.959 parsed_1rde 5
63 1 . . . . . 2.745 1.745 3.445 parsed_1rde 5
64 1 . . . . . 4.309 3.309 5.009 parsed_1rde 5
65 1 . . . . . 3.208 2.208 3.908 parsed_1rde 5
66 1 . . . . . 2.940 1.940 3.640 parsed_1rde 5
67 1 . . . . . 2.807 1.807 3.507 parsed_1rde 5
68 1 . . . . . 4.523 3.523 5.223 parsed_1rde 5
69 1 . . . . . 3.443 2.443 4.143 parsed_1rde 5
70 1 . . . . . 5.172 4.172 5.872 parsed_1rde 5
71 1 . . . . . 5.398 4.398 6.598 parsed_1rde 5
72 1 . . . . . 4.948 3.948 6.148 parsed_1rde 5
73 1 . . . . . 6.340 5.340 7.540 parsed_1rde 5
74 1 . . . . . 3.179 2.179 3.879 parsed_1rde 5
75 1 . . . . . 2.281 1.281 2.981 parsed_1rde 5
76 1 . . . . . 2.230 1.230 2.930 parsed_1rde 5
77 1 . . . . . 2.551 1.551 3.251 parsed_1rde 5
78 1 . . . . . 3.879 2.879 4.579 parsed_1rde 5
79 1 . . . . . 4.524 3.524 5.224 parsed_1rde 5
80 1 . . . . . 6.362 5.362 9.362 parsed_1rde 5
81 1 . . . . . 4.063 3.063 4.763 parsed_1rde 5
82 1 . . . . . 5.290 4.290 6.490 parsed_1rde 5
83 1 . . . . . 4.936 3.936 6.136 parsed_1rde 5
84 1 . . . . . 4.566 3.566 5.766 parsed_1rde 5
85 1 . . . . . 4.001 3.001 4.701 parsed_1rde 5
86 1 . . . . . 2.183 1.183 2.883 parsed_1rde 5
87 1 . . . . . 4.328 3.328 5.028 parsed_1rde 5
88 1 . . . . . 3.188 2.188 3.888 parsed_1rde 5
89 1 . . . . . 3.149 2.149 3.849 parsed_1rde 5
90 1 . . . . . 3.888 2.888 4.588 parsed_1rde 5
91 1 . . . . . 3.456 2.456 4.156 parsed_1rde 5
92 1 . . . . . 3.276 2.276 4.476 parsed_1rde 5
93 1 . . . . . 3.487 2.487 4.687 parsed_1rde 5
94 1 . . . . . 4.199 3.199 5.399 parsed_1rde 5
95 1 . . . . . 4.831 3.831 6.031 parsed_1rde 5
96 1 . . . . . 4.000 3.000 5.200 parsed_1rde 5
97 1 . . . . . 3.475 2.475 4.175 parsed_1rde 5
98 1 . . . . . 3.954 2.954 5.154 parsed_1rde 5
99 1 . . . . . 3.949 2.949 5.149 parsed_1rde 5
100 1 . . . . . 4.625 3.625 5.825 parsed_1rde 5
101 1 . . . . . 2.125 1.125 2.825 parsed_1rde 5
102 1 . . . . . 2.332 1.332 3.032 parsed_1rde 5
103 1 . . . . . 3.019 2.019 3.719 parsed_1rde 5
104 1 . . . . . 4.044 3.044 4.744 parsed_1rde 5
105 1 . . . . . 4.884 3.884 6.084 parsed_1rde 5
106 1 . . . . . 3.434 2.434 4.134 parsed_1rde 5
107 1 . . . . . 3.200 2.200 3.900 parsed_1rde 5
108 1 . . . . . 2.889 1.889 3.589 parsed_1rde 5
109 1 . . . . . 4.902 3.902 5.602 parsed_1rde 5
110 1 . . . . . 2.878 1.878 3.578 parsed_1rde 5
111 1 . . . . . 3.766 2.766 4.466 parsed_1rde 5
112 1 . . . . . 4.479 3.479 5.179 parsed_1rde 5
113 1 . . . . . 4.347 3.347 5.047 parsed_1rde 5
114 1 . . . . . 2.526 1.526 3.226 parsed_1rde 5
115 1 . . . . . 4.297 3.297 4.997 parsed_1rde 5
116 1 . . . . . 4.347 3.347 5.047 parsed_1rde 5
117 1 . . . . . 2.705 1.705 3.405 parsed_1rde 5
118 1 . . . . . 3.448 2.448 4.148 parsed_1rde 5
119 1 . . . . . 3.887 2.887 4.587 parsed_1rde 5
120 1 . . . . . 4.330 3.330 5.030 parsed_1rde 5
121 1 . . . . . 4.129 3.129 4.829 parsed_1rde 5
122 1 . . . . . 5.529 4.529 6.229 parsed_1rde 5
123 1 . . . . . 3.456 2.456 4.156 parsed_1rde 5
124 1 . . . . . 3.543 2.543 4.243 parsed_1rde 5
125 1 . . . . . 2.173 1.173 2.873 parsed_1rde 5
126 1 . . . . . 2.596 1.596 3.296 parsed_1rde 5
127 1 . . . . . 4.193 3.193 5.393 parsed_1rde 5
128 1 . . . . . 5.308 4.308 6.008 parsed_1rde 5
129 1 . . . . . 4.118 3.118 4.818 parsed_1rde 5
130 1 . . . . . 5.445 4.445 6.645 parsed_1rde 5
131 1 . . . . . 3.826 2.826 5.026 parsed_1rde 5
132 1 . . . . . 5.006 4.006 6.206 parsed_1rde 5
133 1 . . . . . 3.863 2.863 4.563 parsed_1rde 5
134 1 . . . . . 5.814 4.814 7.014 parsed_1rde 5
135 1 . . . . . 4.796 3.796 5.996 parsed_1rde 5
136 1 . . . . . 5.348 4.348 6.548 parsed_1rde 5
137 1 . . . . . 4.934 3.934 6.134 parsed_1rde 5
138 1 . . . . . 5.980 4.980 7.180 parsed_1rde 5
139 1 . . . . . 4.406 3.406 5.606 parsed_1rde 5
140 1 . . . . . 5.712 4.712 6.912 parsed_1rde 5
141 1 . . . . . 5.210 4.210 6.410 parsed_1rde 5
142 1 . . . . . 3.426 2.426 4.126 parsed_1rde 5
143 1 . . . . . 1.925 0.925 2.625 parsed_1rde 5
144 1 . . . . . 4.354 3.354 5.054 parsed_1rde 5
145 1 . . . . . 4.739 3.739 5.439 parsed_1rde 5
146 1 . . . . . 2.798 1.798 3.498 parsed_1rde 5
147 1 . . . . . 3.055 2.055 3.755 parsed_1rde 5
148 1 . . . . . 5.438 4.438 6.138 parsed_1rde 5
149 1 . . . . . 2.835 1.835 3.535 parsed_1rde 5
150 1 . . . . . 3.482 2.482 4.182 parsed_1rde 5
151 1 . . . . . 2.882 1.882 3.582 parsed_1rde 5
152 1 . . . . . 3.855 2.855 4.555 parsed_1rde 5
153 1 . . . . . 3.835 2.835 5.035 parsed_1rde 5
154 1 . . . . . 4.323 3.323 5.023 parsed_1rde 5
155 1 . . . . . 4.171 3.171 4.871 parsed_1rde 5
156 1 . . . . . 4.962 3.962 5.662 parsed_1rde 5
157 1 . . . . . 5.910 4.910 6.610 parsed_1rde 5
158 1 . . . . . 4.277 3.277 4.977 parsed_1rde 5
159 1 . . . . . 3.813 2.813 4.513 parsed_1rde 5
160 1 . . . . . 5.625 4.625 6.825 parsed_1rde 5
161 1 . . . . . 4.165 3.165 4.865 parsed_1rde 5
162 1 . . . . . 3.167 2.167 3.867 parsed_1rde 5
163 1 . . . . . 3.441 2.441 4.141 parsed_1rde 5
164 1 . . . . . 2.482 1.482 3.182 parsed_1rde 5
165 1 . . . . . 4.071 3.071 4.771 parsed_1rde 5
166 1 . . . . . 3.709 2.709 4.409 parsed_1rde 5
167 1 . . . . . 5.081 4.081 5.781 parsed_1rde 5
168 1 . . . . . 5.081 4.081 5.781 parsed_1rde 5
169 1 . . . . . 5.081 4.081 5.781 parsed_1rde 5
170 1 . . . . . 6.000 5.000 6.700 parsed_1rde 5
171 1 . . . . . 6.000 5.000 6.700 parsed_1rde 5
172 1 . . . . . 6.200 5.400 7.800 parsed_1rde 5
173 1 . . . . . 6.200 5.400 7.800 parsed_1rde 5
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 "assign (resid 6 and name H5'') (resid 1 and name H8 ) 4.270 1.0 1.2" 120 1 120 75 parsed_1rde 5
2 "assign (resid 7 and name H7* ) (resid 8 and name H8 ) 4.140 1.0 1.2" 150 1 150 75 parsed_1rde 5
3 "assign (resid 8 and name H8 ) (resid 6 and name H1' ) 4.665 1.0 0.7" 162 1 162 75 parsed_1rde 5
4 "assign (resid 8 and name H8 ) (resid 7 and name H7* ) 4.362 1.0 0.7" 166 1 166 75 parsed_1rde 5
5
;
assign (resid 12 and name H6 ) (resid 12 and name H5' ) 4.300 1.0 1.2
assign (resid 12 and name H6 ) (resid 12 and name H5'') 4.258 1.0 1.2
assign (resid 12 and name H6 ) (resid 12 and name H4' ) 3.852 1.0 1.2
;
256 1 260 75 parsed_1rde 5
6 "assign (resid 14 and name H4' ) (resid 12 and name H6 ) 4.346 1.0 0.7" 308 1 308 75 parsed_1rde 5
7
;
assign (resid 2 and name H8 ) (resid 1 and name H8 ) 5.500 0.6 0.7
assign (resid 6 and name H8 ) (resid 5 and name H8 ) 5.500 0.6 0.7
assign (resid 10 and name H8 ) (resid 11 and name H8 ) 5.500 0.6 0.7
assign (resid 14 and name H8 ) (resid 15 and name H8 ) 5.500 0.6 0.7
assign (resid 2 and name C8 ) (resid 1 and name C8 ) 4.200 0.6 0.7
assign (resid 6 and name C8 ) (resid 5 and name C8 ) 4.200 0.6 0.7
assign (resid 10 and name C8 ) (resid 11 and name C8 ) 4.200 0.6 0.7
assign (resid 14 and name C8 ) (resid 15 and name C8 ) 4.200 0.6 0.7
;
358 1 374 77 parsed_1rde 5
stop_
save_
save_CNS/XPLOR_distance_constraints_9
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rde
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type "NOE not seen"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 9
_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_1rde 6
2 1 . . . parsed_1rde 6
3 1 . . . parsed_1rde 6
4 1 . . . parsed_1rde 6
5 1 . . . parsed_1rde 6
6 1 . . . parsed_1rde 6
7 1 . . . parsed_1rde 6
8 1 . . . parsed_1rde 6
9 1 . . . parsed_1rde 6
10 1 . . . parsed_1rde 6
11 1 . . . parsed_1rde 6
12 1 . . . parsed_1rde 6
13 1 . . . parsed_1rde 6
14 1 . . . parsed_1rde 6
15 1 . . . parsed_1rde 6
16 1 . . . parsed_1rde 6
17 1 . . . parsed_1rde 6
18 1 . . . parsed_1rde 6
19 1 . . . parsed_1rde 6
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 . . . . . . . . . 9 . H6 parsed_1rde 6
1 1 2 . . . . . . . . . 10 . H1 parsed_1rde 6
2 1 1 . . . . . . . . . 9 . H5' parsed_1rde 6
2 1 2 . . . . . . . . . 8 . H1' parsed_1rde 6
3 1 1 . . . . . . . . . 9 . H5'' parsed_1rde 6
3 1 2 . . . . . . . . . 8 . H1' parsed_1rde 6
4 1 1 . . . . . . . . . 9 . H5' parsed_1rde 6
4 1 2 . . . . . . . . . 8 . H2' parsed_1rde 6
5 1 1 . . . . . . . . . 9 . H5'' parsed_1rde 6
5 1 2 . . . . . . . . . 8 . H2' parsed_1rde 6
6 1 1 . . . . . . . . . 9 . H5' parsed_1rde 6
6 1 2 . . . . . . . . . 8 . H2'' parsed_1rde 6
7 1 1 . . . . . . . . . 9 . H5'' parsed_1rde 6
7 1 2 . . . . . . . . . 8 . H2'' parsed_1rde 6
8 1 1 . . . . . . . . . 9 . H7* parsed_1rde 6
8 1 2 . . . . . . . . . 8 . H5'' parsed_1rde 6
9 1 1 . . . . . . . . . 9 . H7* parsed_1rde 6
9 1 2 . . . . . . . . . 8 . H5' parsed_1rde 6
10 1 1 . . . . . . . . . 9 . H7* parsed_1rde 6
10 1 2 . . . . . . . . . 8 . H2'' parsed_1rde 6
11 1 1 . . . . . . . . . 9 . H7* parsed_1rde 6
11 1 2 . . . . . . . . . 8 . H2' parsed_1rde 6
12 1 1 . . . . . . . . . 7 . H7* parsed_1rde 6
12 1 2 . . . . . . . . . 6 . N2 parsed_1rde 6
13 1 1 . . . . . . . . . 7 . H7* parsed_1rde 6
13 1 2 . . . . . . . . . 10 . H8 parsed_1rde 6
14 1 1 . . . . . . . . . 7 . H7* parsed_1rde 6
14 1 2 . . . . . . . . . 5 . H8 parsed_1rde 6
15 1 1 . . . . . . . . . 7 . H7* parsed_1rde 6
15 1 2 . . . . . . . . . 11 . N2 parsed_1rde 6
16 1 1 . . . . . . . . . 6 . H2' parsed_1rde 6
16 1 2 . . . . . . . . . 7 . H5' parsed_1rde 6
17 1 1 . . . . . . . . . 6 . H2' parsed_1rde 6
17 1 2 . . . . . . . . . 7 . H5'' parsed_1rde 6
18 1 1 . . . . . . . . . 6 . H2'' parsed_1rde 6
18 1 2 . . . . . . . . . 7 . H5' parsed_1rde 6
19 1 1 . . . . . . . . . 6 . H2'' parsed_1rde 6
19 1 2 . . . . . . . . . 7 . H5'' parsed_1rde 6
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 . . . . . 6.500 5.900 17.100 parsed_1rde 6
2 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
3 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
4 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
5 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
6 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
7 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
8 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
9 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
10 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
11 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
12 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
13 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
14 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
15 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
16 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
17 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
18 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
19 1 . . . . . 6.500 5.900 17.100 parsed_1rde 6
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 Repulsion 2 1 2 11 parsed_1rde 6
2
;
All 3'-2'/2'' restraints are deleted because of serious overlapping.
All H7*-H6 restraints are deleted because the distance is fixed.
;
48 1 50 66 parsed_1rde 6
stop_
save_
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