NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
29408 |
1ato   |
cing | 2-parsed | STAR | entry | full | 472 |
data_1ato_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ato
_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_1ato 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ato
_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 1ato "Master copy" parsed_1ato
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ato
_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 1ato.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 100 parsed_1ato 1
1 1ato.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 4 distance "general distance" simple 12 parsed_1ato 1
1 1ato.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1ato 1
1 1ato.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_1ato 1
1 1ato.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_1ato 1
1 1ato.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 12 distance NOE ambi 24 parsed_1ato 1
1 1ato.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 14 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_1ato 1
1 1ato.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 16 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1ato 1
1 1ato.mr . . n/a 17 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 18 distance NOE ambi 63 parsed_1ato 1
1 1ato.mr . . n/a 19 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 20 distance NOE ambi 137 parsed_1ato 1
1 1ato.mr . . n/a 21 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 22 distance NOE ambi 65 parsed_1ato 1
1 1ato.mr . . n/a 23 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 24 planarity "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . n/a 25 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 26 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_1ato 1
1 1ato.mr . . n/a 27 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 28 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1ato 1
1 1ato.mr . . n/a 29 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 30 distance "hydrogen bond" ambi 29 parsed_1ato 1
1 1ato.mr . . n/a 31 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . "MR format" 32 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ato 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_1ato
_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 RIBOZYME 14-AUG-97 1ATO
*TITLE THE STRUCTURE OF THE ISOLATED, CENTRAL HAIRPIN OF THE HDV
*TITLE 2 ANTIGENOMIC RIBOZYME, NMR, 10 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: HDV RIBOZYME;
*COMPND 3 CHAIN: NULL;
*COMPND 4 FRAGMENT: CENTRAL HAIRPIN;
*COMPND 5 SYNONYM: HEPATITIS DELTA VIRUS RIBOZYME;
*COMPND 6 OTHER_DETAILS: RNA
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS DELTA VIRUS;
*SOURCE 3 ORGANISM_COMMON: HDV
*KEYWDS CENTRAL LOOP, HEPATITIS DELTA VIRUS, RIBOZYME, RNA HAIRPIN
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR M.H.KOLK,H.A.HEUS,C.W.HILBERS
*REVDAT 1 12-NOV-97 1ATO 0
set message=off end
restraints dihedral
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 1 . H1' . 1 . C1' . 1 . C2' . 1 . H2' parsed_1ato 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 1 . H2' . 1 . C2' . 1 . C3' . 1 . H3' parsed_1ato 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 1 . H3' . 1 . C3' . 1 . C4' . 1 . H4' parsed_1ato 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 2 . H1' . 2 . C1' . 2 . C2' . 2 . H2' parsed_1ato 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 2 . H2' . 2 . C2' . 2 . C3' . 2 . H3' parsed_1ato 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 2 . H3' . 2 . C3' . 2 . C4' . 2 . H4' parsed_1ato 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 3 . H1' . 3 . C1' . 3 . C2' . 3 . H2' parsed_1ato 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 3 . H2' . 3 . C2' . 3 . C3' . 3 . H3' parsed_1ato 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 3 . H3' . 3 . C3' . 3 . C4' . 3 . H4' parsed_1ato 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 4 . H1' . 4 . C1' . 4 . C2' . 4 . H2' parsed_1ato 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 4 . H2' . 4 . C2' . 4 . C3' . 4 . H3' parsed_1ato 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 4 . H3' . 4 . C3' . 4 . C4' . 4 . H4' parsed_1ato 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 5 . H1' . 5 . C1' . 5 . C2' . 5 . H2' parsed_1ato 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 5 . H2' . 5 . C2' . 5 . C3' . 5 . H3' parsed_1ato 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 5 . H3' . 5 . C3' . 5 . C4' . 5 . H4' parsed_1ato 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 6 . H1' . 6 . C1' . 6 . C2' . 6 . H2' parsed_1ato 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 6 . H2' . 6 . C2' . 6 . C3' . 6 . H3' parsed_1ato 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 6 . H3' . 6 . C3' . 6 . C4' . 6 . H4' parsed_1ato 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 14 . H1' . 14 . C1' . 14 . C2' . 14 . H2' parsed_1ato 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 14 . H2' . 14 . C2' . 14 . C3' . 14 . H3' parsed_1ato 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 14 . H3' . 14 . C3' . 14 . C4' . 14 . H4' parsed_1ato 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 15 . H1' . 15 . C1' . 15 . C2' . 15 . H2' parsed_1ato 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 15 . H2' . 15 . C2' . 15 . C3' . 15 . H3' parsed_1ato 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 15 . H3' . 15 . C3' . 15 . C4' . 15 . H4' parsed_1ato 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 16 . H1' . 16 . C1' . 16 . C2' . 16 . H2' parsed_1ato 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 16 . H2' . 16 . C2' . 16 . C3' . 16 . H3' parsed_1ato 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 16 . H3' . 16 . C3' . 16 . C4' . 16 . H4' parsed_1ato 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 17 . H1' . 17 . C1' . 17 . C2' . 17 . H2' parsed_1ato 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 17 . H2' . 17 . C2' . 17 . C3' . 17 . H3' parsed_1ato 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 17 . H3' . 17 . C3' . 17 . C4' . 17 . H4' parsed_1ato 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 18 . H1' . 18 . C1' . 18 . C2' . 18 . H2' parsed_1ato 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 18 . H2' . 18 . C2' . 18 . C3' . 18 . H3' parsed_1ato 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 18 . H3' . 18 . C3' . 18 . C4' . 18 . H4' parsed_1ato 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 19 . H1' . 19 . C1' . 19 . C2' . 19 . H2' parsed_1ato 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 19 . H2' . 19 . C2' . 19 . C3' . 19 . H3' parsed_1ato 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 19 . H3' . 19 . C3' . 19 . C4' . 19 . H4' parsed_1ato 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_1ato 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_1ato 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 3 . O4' . 3 . C1' . 3 . N1 . 3 . C2 parsed_1ato 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_1ato 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_1ato 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 6 . O4' . 6 . C1' . 6 . N1 . 6 . C2 parsed_1ato 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 14 . O4' . 14 . C1' . 14 . N1 . 14 . C2 parsed_1ato 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 15 . O4' . 15 . C1' . 15 . N1 . 15 . C2 parsed_1ato 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 16 . O4' . 16 . C1' . 16 . N1 . 16 . C2 parsed_1ato 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_1ato 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 18 . O4' . 18 . C1' . 18 . N1 . 18 . C2 parsed_1ato 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.000 232.000 . . 19 . O4' . 19 . C1' . 19 . N1 . 19 . C2 parsed_1ato 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_1ato 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_1ato 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_1ato 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_1ato 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_1ato 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_1ato 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_1ato 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_1ato 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 18 . P . 18 . O5' . 18 . C5' . 18 . C4' parsed_1ato 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.000 195.000 . . 19 . P . 19 . O5' . 19 . C5' . 19 . C4' parsed_1ato 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_1ato 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_1ato 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_1ato 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1ato 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_1ato 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_1ato 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_1ato 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 15 . O5' . 15 . C5' . 15 . C4' . 15 . C3' parsed_1ato 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 16 . O5' . 16 . C5' . 16 . C4' . 16 . C3' parsed_1ato 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 17 . O5' . 17 . C5' . 17 . C4' . 17 . C3' parsed_1ato 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_1ato 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.000 84.000 . . 19 . O5' . 19 . C5' . 19 . C4' . 19 . C3' parsed_1ato 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1ato 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1ato 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1ato 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1ato 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1ato 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_1ato 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_1ato 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_1ato 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_1ato 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 182.000 222.000 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_1ato 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 1 . O3' . 2 . P . 2 . O5' . 2 . C5' parsed_1ato 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 2 . O3' . 3 . P . 3 . O5' . 3 . C5' parsed_1ato 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 3 . O3' . 4 . P . 4 . O5' . 4 . C5' parsed_1ato 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 4 . O3' . 5 . P . 5 . O5' . 5 . C5' parsed_1ato 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 5 . O3' . 6 . P . 6 . O5' . 6 . C5' parsed_1ato 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 14 . O3' . 15 . P . 15 . O5' . 15 . C5' parsed_1ato 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 15 . O3' . 16 . P . 16 . O5' . 16 . C5' parsed_1ato 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 16 . O3' . 17 . P . 17 . O5' . 17 . C5' parsed_1ato 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 17 . O3' . 18 . P . 18 . O5' . 18 . C5' parsed_1ato 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 18 . O3' . 19 . P . 19 . O5' . 19 . C5' parsed_1ato 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_1ato 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_1ato 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_1ato 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_1ato 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_1ato 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 14 . C3' . 14 . O3' . 15 . P . 15 . O5' parsed_1ato 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 15 . C3' . 15 . O3' . 16 . P . 16 . O5' parsed_1ato 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 16 . C3' . 16 . O3' . 17 . P . 17 . O5' parsed_1ato 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 17 . C3' . 17 . O3' . 18 . P . 18 . O5' parsed_1ato 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.000 -46.000 . . 18 . C3' . 18 . O3' . 19 . P . 19 . O5' parsed_1ato 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
Dihedral angle constraints of 1-6 and 14-19 of sl3
Pucker: all are N (P=10+/-20,amp=35)
Residue 1:
;
1 1 5 12 parsed_1ato 1
2 "Residue 2: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 24 1 24 75 parsed_1ato 1
3 "Residue 3: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 43 1 43 75 parsed_1ato 1
4 "Residue 4: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 62 1 62 75 parsed_1ato 1
5 "Residue 5: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 81 1 81 75 parsed_1ato 1
6 "Residue 6: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 100 1 100 75 parsed_1ato 1
7 "Residue 14: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 119 1 119 76 parsed_1ato 1
8 "Residue 15: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 138 1 138 76 parsed_1ato 1
9 "Residue 16: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 157 1 157 76 parsed_1ato 1
10 "Residue 17: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 176 1 176 76 parsed_1ato 1
11 "Residue 18: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 195 1 195 76 parsed_1ato 1
12 "Residue 19: phase angle= 10.000 , amplitude= 35.000, range in P= 20.000" 214 1 214 76 parsed_1ato 1
13 "Chi (G1-C6 and G14-C19 are 202+/-30)" 234 1 234 39 parsed_1ato 1
14
;
Beta (all are 180+/-15)
(N.B. Beta nonexistent for G1)
Gamma (all are 54+/-30)
Epsilon (G1-C6 and G14-C19 are 202+/-20)
(N.B. epsilon nonexistent for C19)
;
308 1 312 37 parsed_1ato 1
15 Gamma 374 1 374 7 parsed_1ato 1
16 Epsilon 447 1 447 10 parsed_1ato 1
17
;
Alpha and Zeta: all are -66+/-20
(N.B. alpha nonexistent for G1, zeta for U12)
;
511 1 512 48 parsed_1ato 1
18 Zeta 574 1 574 7 parsed_1ato 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on end
set message=off end
;
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ato
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_1ato 1
2 1 . . . parsed_1ato 1
3 1 . . . parsed_1ato 1
4 1 . . . parsed_1ato 1
5 1 . . . parsed_1ato 1
6 1 . . . parsed_1ato 1
7 1 . . . parsed_1ato 1
8 1 . . . parsed_1ato 1
9 1 . . . parsed_1ato 1
10 1 . . . parsed_1ato 1
11 1 . . . parsed_1ato 1
12 1 . . . parsed_1ato 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 . H5T parsed_1ato 1
1 1 2 . . . . . . . . . 16 . P parsed_1ato 1
2 1 1 . . . . . . . . . 1 . H5T parsed_1ato 1
2 1 2 . . . . . . . . . 15 . P parsed_1ato 1
3 1 1 . . . . . . . . . 1 . H5T parsed_1ato 1
3 1 2 . . . . . . . . . 14 . P parsed_1ato 1
4 1 1 . . . . . . . . . 18 . P parsed_1ato 1
4 1 2 . . . . . . . . . 4 . P parsed_1ato 1
5 1 1 . . . . . . . . . 18 . P parsed_1ato 1
5 1 2 . . . . . . . . . 5 . P parsed_1ato 1
6 1 1 . . . . . . . . . 18 . P parsed_1ato 1
6 1 2 . . . . . . . . . 6 . P parsed_1ato 1
7 1 1 . . . . . . . . . 1 . H5T parsed_1ato 1
7 1 2 . . . . . . . . . 4 . P parsed_1ato 1
8 1 1 . . . . . . . . . 1 . H5T parsed_1ato 1
8 1 2 . . . . . . . . . 5 . P parsed_1ato 1
9 1 1 . . . . . . . . . 1 . H5T parsed_1ato 1
9 1 2 . . . . . . . . . 6 . P parsed_1ato 1
10 1 1 . . . . . . . . . 19 . P parsed_1ato 1
10 1 2 . . . . . . . . . 16 . P parsed_1ato 1
11 1 1 . . . . . . . . . 19 . P parsed_1ato 1
11 1 2 . . . . . . . . . 15 . P parsed_1ato 1
12 1 1 . . . . . . . . . 19 . P parsed_1ato 1
12 1 2 . . . . . . . . . 14 . P parsed_1ato 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 . . . . . 15.98 14.98 16.98 parsed_1ato 1
2 1 . . . . . 13.00 12.00 14.00 parsed_1ato 1
3 1 . . . . . 9.61 8.61 10.61 parsed_1ato 1
4 1 . . . . . 16.47 15.47 17.47 parsed_1ato 1
5 1 . . . . . 16.15 15.15 17.15 parsed_1ato 1
6 1 . . . . . 17.35 16.35 18.35 parsed_1ato 1
7 1 . . . . . 15.28 14.28 16.28 parsed_1ato 1
8 1 . . . . . 18.83 17.83 19.83 parsed_1ato 1
9 1 . . . . . 21.27 20.27 22.27 parsed_1ato 1
10 1 . . . . . 15.28 14.28 16.28 parsed_1ato 1
11 1 . . . . . 18.83 17.83 19.83 parsed_1ato 1
12 1 . . . . . 21.27 20.27 22.27 parsed_1ato 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
;
P-P distances for an A type helix
cross-strand:
5'->3'
;
1 1 5 9 parsed_1ato 1
2 3'->5' 18 1 18 9 parsed_1ato 1
3
;
intra-strand:
5'->3':
;
32 1 34 9 parsed_1ato 1
4 3'->5' 47 1 47 8 parsed_1ato 1
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on end
! Dihedral Angle Restraints for the a angle in the stem of
! RNA hairpin SL3.
! filename: sl3_alfa2dat (1/10/96)
set message=off echo=off end
restraints
dihedral
;
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_Torsion_angle_constraint_list.ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . . 6 . O3' . 7 . P . 7 . O5' . 7 . C5' parsed_1ato 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . . 7 . O3' . 8 . P . 8 . O5' . 8 . C5' parsed_1ato 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . . 8 . O3' . 9 . P . 9 . O5' . 9 . C5' parsed_1ato 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 "alpha hoek" 1 1 1 13 parsed_1ato 2
2
;
assign (resid 10 and name O3') (resid 11 and name P)
(resid 11 and name O5') (resid 11 and name C5')
1.000 -68 30 2
assign (resid 11 and name O3') (resid 12 and name P)
(resid 12 and name O5') (resid 12 and name C5')
1.000 -68 30 2
;
15 1 21 34 parsed_1ato 2
stop_
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
! Dihedral Angle Restraints for the b angle in the stem of
! RNA hairpin sl3
! filename: sl3_beta3.dat
set message=off echo=off end
restraints
dihedral
;
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148 208 . . 7 . P . 7 . O5' . 7 . C5' . 7 . C4' parsed_1ato 3
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148 208 . . 8 . P . 8 . O5' . 8 . C5' . 8 . C4' parsed_1ato 3
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118 238 . . 9 . P . 9 . O5' . 9 . C5' . 9 . C4' parsed_1ato 3
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58 298 . . 10 . P . 10 . O5' . 10 . C5' . 10 . C4' parsed_1ato 3
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58 298 . . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' parsed_1ato 3
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58 298 . . 12 . P . 12 . O5' . 12 . C5' . 12 . C4' parsed_1ato 3
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58 298 . . 13 . P . 13 . O5' . 13 . C5' . 13 . C4' parsed_1ato 3
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 "*! beta hoek *" 1 1 1 1 parsed_1ato 3
stop_
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
! Dihedral Angle Restraints for the CHI angles
! filename:sl3_chi.dat
set message=off echo=off end
restraints
dihedral
;
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_Torsion_angle_constraint_list.ID 4
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_1ato 4
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . . 8 . O4' . 8 . C1' . 8 . N1 . 8 . C2 parsed_1ato 4
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1ato 4
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_1ato 4
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 125 . . 11 . O4' . 11 . C1' . 11 . N1 . 11 . C2 parsed_1ato 4
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 125 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_1ato 4
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_1ato 4
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 "C11 is syn; 21/10/96 uit;aan, grenzen ruimer 6/11/96" 17 1 17 54 parsed_1ato 4
2 "G12 is syn;" 22 1 22 13 parsed_1ato 4
stop_
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
! Michael Kolk, 20/9/96
! 'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
! Dubieuze NOE's die volgens no2di het gevolg zijn van spin-diffusie
set message=off end
;
save_
save_CNS/XPLOR_distance_constraints_12
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ato
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 12
_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_1ato 2
2 1 . . . parsed_1ato 2
3 1 . . . parsed_1ato 2
4 1 . . . parsed_1ato 2
5 1 . . . parsed_1ato 2
6 1 . . . parsed_1ato 2
7 1 . . . parsed_1ato 2
8 1 . . . parsed_1ato 2
9 1 . . . parsed_1ato 2
10 1 . . . parsed_1ato 2
11 1 . . . parsed_1ato 2
12 1 . . . parsed_1ato 2
13 1 . . . parsed_1ato 2
14 1 . . . parsed_1ato 2
15 1 . . . parsed_1ato 2
16 1 . . . parsed_1ato 2
17 1 . . . parsed_1ato 2
18 1 . . . parsed_1ato 2
19 1 . . . parsed_1ato 2
20 1 . . . parsed_1ato 2
21 1 . . . parsed_1ato 2
22 1 . . . parsed_1ato 2
23 1 . . . parsed_1ato 2
24 1 . . . parsed_1ato 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 . . . . . . . . . 2 . H8 parsed_1ato 2
1 1 2 . . . . . . . . . 1 . H8 parsed_1ato 2
2 1 1 . . . . . . . . . 5 . H2' parsed_1ato 2
2 1 2 . . . . . . . . . 4 . H2 parsed_1ato 2
3 1 1 . . . . . . . . . 5 . H3' parsed_1ato 2
3 1 2 . . . . . . . . . 5 . H5 parsed_1ato 2
4 1 1 . . . . . . . . . 5 . H3' parsed_1ato 2
4 1 2 . . . . . . . . . 6 . H5 parsed_1ato 2
5 1 1 . . . . . . . . . 6 . H5 parsed_1ato 2
5 1 2 . . . . . . . . . 5 . H6 parsed_1ato 2
6 1 1 . . . . . . . . . 6 . H4' parsed_1ato 2
6 1 2 . . . . . . . . . 6 . H5 parsed_1ato 2
7 1 1 . . . . . . . . . 6 . H1' parsed_1ato 2
7 1 2 . . . . . . . . . 7 . H6 parsed_1ato 2
8 1 1 . . . . . . . . . 8 . H5 parsed_1ato 2
8 1 2 . . . . . . . . . 7 . H6 parsed_1ato 2
9 1 1 . . . . . . . . . 7 . H2' parsed_1ato 2
9 1 2 . . . . . . . . . 8 . H5 parsed_1ato 2
10 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 2
10 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 2
10 1 2 . . . . . . . . . 8 . H5 parsed_1ato 2
11 1 1 . . . . . . . . . 8 . H1' parsed_1ato 2
11 1 2 . . . . . . . . . 9 . H6 parsed_1ato 2
12 1 1 . . . . . . . . . 8 . H3' parsed_1ato 2
12 1 2 . . . . . . . . . 8 . H5 parsed_1ato 2
13 1 1 . . . . . . . . . 9 . H6 parsed_1ato 2
13 1 2 . . . . . . . . . 8 . H6 parsed_1ato 2
14 1 1 . . . . . . . . . 8 . H2' parsed_1ato 2
14 1 2 . . . . . . . . . 9 . H5 parsed_1ato 2
15 1 1 . . . . . . . . . 8 . H3' parsed_1ato 2
15 1 2 . . . . . . . . . 9 . H5 parsed_1ato 2
16 1 1 . . . . . . . . . 9 . H2' parsed_1ato 2
16 1 2 . . . . . . . . . 9 . H5 parsed_1ato 2
17 1 1 . . . . . . . . . 10 . H2' parsed_1ato 2
17 1 2 . . . . . . . . . 10 . H5 parsed_1ato 2
18 1 1 . . . . . . . . . 11 . H1' parsed_1ato 2
18 1 2 . . . . . . . . . 11 . H5 parsed_1ato 2
19 1 1 . . . . . . . . . 11 . H3' parsed_1ato 2
19 1 2 . . . . . . . . . 11 . H1' parsed_1ato 2
20 1 1 . . . . . . . . . 11 . H2' parsed_1ato 2
20 1 2 . . . . . . . . . 11 . H5 parsed_1ato 2
21 1 1 . . . . . . . . . 15 . H1' parsed_1ato 2
21 1 2 . . . . . . . . . 16 . H6 parsed_1ato 2
22 1 1 . . . . . . . . . 19 . H5'1 parsed_1ato 2
22 1 1 . . . . . . . . . 19 . H5'2 parsed_1ato 2
22 1 2 . . . . . . . . . 19 . H5 parsed_1ato 2
23 1 1 . . . . . . . . . 19 . H5 parsed_1ato 2
23 1 2 . . . . . . . . . 19 . H1' parsed_1ato 2
24 1 1 . . . . . . . . . 19 . H2' parsed_1ato 2
24 1 2 . . . . . . . . . 19 . H5 parsed_1ato 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 . . . . . 6 4 8 parsed_1ato 2
2 1 . . . . . 6 4.5 7.5 parsed_1ato 2
3 1 . . . . . 5 3.5 6.5 parsed_1ato 2
4 1 . . . . . 5 3 7 parsed_1ato 2
5 1 . . . . . 5 3 7 parsed_1ato 2
6 1 . . . . . 6 4 8 parsed_1ato 2
7 1 . . . . . 4 2.5 5.5 parsed_1ato 2
8 1 . . . . . 4.1 2.9 4.9 parsed_1ato 2
9 1 . . . . . 4.5 3.0 5.4 parsed_1ato 2
10 1 . . . . . 6 4 8 parsed_1ato 2
11 1 . . . . . 5 3 7 parsed_1ato 2
12 1 . . . . . 6 4 8 parsed_1ato 2
13 1 . . . . . 5 3 7 parsed_1ato 2
14 1 . . . . . 5 3 7 parsed_1ato 2
15 1 . . . . . 5 3 7 parsed_1ato 2
16 1 . . . . . 4.6 3.1 6.1 parsed_1ato 2
17 1 . . . . . 5 3 7 parsed_1ato 2
18 1 . . . . . 6 4 8 parsed_1ato 2
19 1 . . . . . 4 2.5 5.5 parsed_1ato 2
20 1 . . . . . 5 3 7 parsed_1ato 2
21 1 . . . . . 5 3 7 parsed_1ato 2
22 1 . . . . . 6 4 8 parsed_1ato 2
23 1 . . . . . 5 3 7 parsed_1ato 2
24 1 . . . . . 5 3 7 parsed_1ato 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 "30/9/96 7->5 A" 17 1 17 16 parsed_1ato 2
2
;
Eruit gehaald 8/10/96
assign (resid 8 and name H2')
(resid 7 and name H1')
4.2 2 2
Strakker gezet 8/10/96
;
30 1 35 24 parsed_1ato 2
3 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A" 48 1 48 45 parsed_1ato 2
4 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A" 57 1 57 45 parsed_1ato 2
5 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A;" 62 1 62 46 parsed_1ato 2
6 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A" 68 1 68 45 parsed_1ato 2
7
;
assign (resid 11 and name H5)
(resid 9 and name H6)
7 2 2
;
77 1 79 9 parsed_1ato 2
stop_
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on end
! Dihedral Angle Restraints for the e angle in the stem of
! RNA hairpin sl3: epsilon is never gauche +
! filename: sl3_epsilon.dat
set message=off echo=off end
restraints
dihedral
;
save_
save_CNS/XPLOR_dihedral_14
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_Torsion_angle_constraint_list.ID 5
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 14
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 270.000 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_1ato 5
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 270.000 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_1ato 5
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 270.000 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_1ato 5
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 270.000 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_1ato 5
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 270.000 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_1ato 5
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 270.000 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_1ato 5
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 270.000 . . 13 . C4' . 13 . C3' . 13 . O3' . 14 . P parsed_1ato 5
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 Epsilon 1 1 1 10 parsed_1ato 5
2 Epsilon 9 1 9 10 parsed_1ato 5
3 Epsilon 17 1 17 10 parsed_1ato 5
stop_
save_
save_MR_file_comment_15
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 8
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 15
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
! Dihedral Angle Restraints for the g angle in the stem of
! RNA hairpin sl3
! filename:sl3_gamma2.dat
set message=off echo=off end
restraints
dihedral
;
save_
save_CNS/XPLOR_dihedral_16
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_Torsion_angle_constraint_list.ID 6
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 16
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 84 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_1ato 6
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 84 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_1ato 6
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 84 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_1ato 6
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 "gamma hoek" 1 1 1 13 parsed_1ato 6
2
;
assign (resid 10 and name O5') (resid 10 and name C5')
(resid 10 and name C4') (resid 10 and name C3')
1.000 54 30 2
assign (resid 11 and name O5') (resid 11 and name C5')
(resid 11 and name C4') (resid 11 and name C3')
1.000 54 30 2
assign (resid 12 and name O5') (resid 12 and name C5')
(resid 12 and name C4') (resid 12 and name C3')
1.000 54 30 2
assign (resid 13 and name O5') (resid 13 and name C5')
(resid 13 and name C4') (resid 13 and name C3')
1.000 54 30 2
;
15 1 29 35 parsed_1ato 6
stop_
save_
save_MR_file_comment_17
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 9
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 17
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
! filename sl3_inter.dat
! Michael Kolk, 20/9/96
! 'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
! Lower bounds staan op 30%, upper bounds op 20%
set message=off end
;
save_
save_CNS/XPLOR_distance_constraints_18
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ato
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 18
_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_1ato 3
2 1 . . . parsed_1ato 3
3 1 . . . parsed_1ato 3
4 1 . . . parsed_1ato 3
5 1 . . . parsed_1ato 3
6 1 . . . parsed_1ato 3
7 1 . . . parsed_1ato 3
8 1 . . . parsed_1ato 3
9 1 . . . parsed_1ato 3
10 1 . . . parsed_1ato 3
11 1 . . . parsed_1ato 3
12 1 . . . parsed_1ato 3
13 1 . . . parsed_1ato 3
14 1 . . . parsed_1ato 3
15 1 . . . parsed_1ato 3
16 1 . . . parsed_1ato 3
17 1 . . . parsed_1ato 3
18 1 . . . parsed_1ato 3
19 1 . . . parsed_1ato 3
20 1 . . . parsed_1ato 3
21 1 . . . parsed_1ato 3
22 1 . . . parsed_1ato 3
23 1 . . . parsed_1ato 3
24 1 . . . parsed_1ato 3
25 1 . . . parsed_1ato 3
26 1 . . . parsed_1ato 3
27 1 . . . parsed_1ato 3
28 1 . . . parsed_1ato 3
29 1 . . . parsed_1ato 3
30 1 . . . parsed_1ato 3
31 1 . . . parsed_1ato 3
32 1 . . . parsed_1ato 3
33 1 . . . parsed_1ato 3
34 1 . . . parsed_1ato 3
35 1 . . . parsed_1ato 3
36 1 . . . parsed_1ato 3
37 1 . . . parsed_1ato 3
38 1 . . . parsed_1ato 3
39 1 . . . parsed_1ato 3
40 1 . . . parsed_1ato 3
41 1 . . . parsed_1ato 3
42 1 . . . parsed_1ato 3
43 1 . . . parsed_1ato 3
44 1 . . . parsed_1ato 3
45 1 . . . parsed_1ato 3
46 1 . . . parsed_1ato 3
47 1 . . . parsed_1ato 3
48 1 . . . parsed_1ato 3
49 1 . . . parsed_1ato 3
50 1 . . . parsed_1ato 3
51 1 . . . parsed_1ato 3
52 1 . . . parsed_1ato 3
53 1 . . . parsed_1ato 3
54 1 . . . parsed_1ato 3
55 1 . . . parsed_1ato 3
56 1 . . . parsed_1ato 3
57 1 . . . parsed_1ato 3
58 1 . . . parsed_1ato 3
59 1 . . . parsed_1ato 3
60 1 . . . parsed_1ato 3
61 1 . . . parsed_1ato 3
62 1 . . . parsed_1ato 3
63 1 . . . parsed_1ato 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 . . . . . . . . . 2 . H5'1 parsed_1ato 3
1 1 2 . . . . . . . . . 2 . H8 parsed_1ato 3
2 1 1 . . . . . . . . . 1 . H1' parsed_1ato 3
2 1 2 . . . . . . . . . 2 . H8 parsed_1ato 3
3 1 1 . . . . . . . . . 1 . H2' parsed_1ato 3
3 1 2 . . . . . . . . . 2 . H1' parsed_1ato 3
4 1 1 . . . . . . . . . 1 . H2' parsed_1ato 3
4 1 2 . . . . . . . . . 2 . H8 parsed_1ato 3
5 1 1 . . . . . . . . . 3 . H5 parsed_1ato 3
5 1 2 . . . . . . . . . 2 . H1' parsed_1ato 3
6 1 1 . . . . . . . . . 2 . H1' parsed_1ato 3
6 1 2 . . . . . . . . . 3 . H6 parsed_1ato 3
7 1 1 . . . . . . . . . 3 . H5 parsed_1ato 3
7 1 2 . . . . . . . . . 2 . H8 parsed_1ato 3
8 1 1 . . . . . . . . . 2 . H2' parsed_1ato 3
8 1 2 . . . . . . . . . 3 . H5 parsed_1ato 3
9 1 1 . . . . . . . . . 2 . H2' parsed_1ato 3
9 1 2 . . . . . . . . . 3 . H6 parsed_1ato 3
10 1 1 . . . . . . . . . 2 . H3' parsed_1ato 3
10 1 2 . . . . . . . . . 3 . H5 parsed_1ato 3
11 1 1 . . . . . . . . . 4 . H1' parsed_1ato 3
11 1 2 . . . . . . . . . 3 . H1' parsed_1ato 3
12 1 1 . . . . . . . . . 3 . H1' parsed_1ato 3
12 1 2 . . . . . . . . . 4 . H8 parsed_1ato 3
13 1 1 . . . . . . . . . 3 . H6 parsed_1ato 3
13 1 2 . . . . . . . . . 4 . H8 parsed_1ato 3
14 1 1 . . . . . . . . . 3 . H3' parsed_1ato 3
14 1 2 . . . . . . . . . 4 . H8 parsed_1ato 3
15 1 1 . . . . . . . . . 5 . H5 parsed_1ato 3
15 1 2 . . . . . . . . . 4 . H1' parsed_1ato 3
16 1 1 . . . . . . . . . 4 . H1' parsed_1ato 3
16 1 2 . . . . . . . . . 5 . H6 parsed_1ato 3
17 1 1 . . . . . . . . . 5 . H1' parsed_1ato 3
17 1 2 . . . . . . . . . 4 . H2 parsed_1ato 3
18 1 1 . . . . . . . . . 5 . H3' parsed_1ato 3
18 1 2 . . . . . . . . . 4 . H2 parsed_1ato 3
19 1 1 . . . . . . . . . 5 . H1' parsed_1ato 3
19 1 2 . . . . . . . . . 4 . H2' parsed_1ato 3
20 1 1 . . . . . . . . . 16 . H2' parsed_1ato 3
20 1 2 . . . . . . . . . 4 . H2 parsed_1ato 3
21 1 1 . . . . . . . . . 17 . H1' parsed_1ato 3
21 1 2 . . . . . . . . . 4 . H2 parsed_1ato 3
22 1 1 . . . . . . . . . 17 . H2' parsed_1ato 3
22 1 2 . . . . . . . . . 4 . H2 parsed_1ato 3
23 1 1 . . . . . . . . . 17 . H3' parsed_1ato 3
23 1 2 . . . . . . . . . 4 . H2 parsed_1ato 3
24 1 1 . . . . . . . . . 5 . H5 parsed_1ato 3
24 1 2 . . . . . . . . . 4 . H8 parsed_1ato 3
25 1 1 . . . . . . . . . 5 . H6 parsed_1ato 3
25 1 2 . . . . . . . . . 4 . H8 parsed_1ato 3
26 1 1 . . . . . . . . . 4 . H2' parsed_1ato 3
26 1 2 . . . . . . . . . 5 . H5 parsed_1ato 3
27 1 1 . . . . . . . . . 4 . H2' parsed_1ato 3
27 1 2 . . . . . . . . . 5 . H6 parsed_1ato 3
28 1 1 . . . . . . . . . 4 . H3' parsed_1ato 3
28 1 2 . . . . . . . . . 5 . H5 parsed_1ato 3
29 1 1 . . . . . . . . . 4 . H3' parsed_1ato 3
29 1 2 . . . . . . . . . 5 . H6 parsed_1ato 3
30 1 1 . . . . . . . . . 5 . H1' parsed_1ato 3
30 1 2 . . . . . . . . . 6 . H6 parsed_1ato 3
31 1 1 . . . . . . . . . 5 . H5 parsed_1ato 3
31 1 2 . . . . . . . . . 6 . H5 parsed_1ato 3
32 1 1 . . . . . . . . . 5 . H2' parsed_1ato 3
32 1 2 . . . . . . . . . 6 . H1' parsed_1ato 3
33 1 1 . . . . . . . . . 5 . H2' parsed_1ato 3
33 1 2 . . . . . . . . . 6 . H5 parsed_1ato 3
34 1 1 . . . . . . . . . 5 . H3' parsed_1ato 3
34 1 2 . . . . . . . . . 6 . H6 parsed_1ato 3
35 1 1 . . . . . . . . . 14 . H1' parsed_1ato 3
35 1 2 . . . . . . . . . 15 . H8 parsed_1ato 3
36 1 1 . . . . . . . . . 14 . H8 parsed_1ato 3
36 1 2 . . . . . . . . . 15 . H8 parsed_1ato 3
37 1 1 . . . . . . . . . 14 . H2' parsed_1ato 3
37 1 2 . . . . . . . . . 15 . H8 parsed_1ato 3
38 1 1 . . . . . . . . . 16 . H5 parsed_1ato 3
38 1 2 . . . . . . . . . 15 . H8 parsed_1ato 3
39 1 1 . . . . . . . . . 15 . H8 parsed_1ato 3
39 1 2 . . . . . . . . . 16 . H6 parsed_1ato 3
40 1 1 . . . . . . . . . 15 . H2' parsed_1ato 3
40 1 2 . . . . . . . . . 16 . H5 parsed_1ato 3
41 1 1 . . . . . . . . . 15 . H2' parsed_1ato 3
41 1 2 . . . . . . . . . 16 . H6 parsed_1ato 3
42 1 1 . . . . . . . . . 15 . H2' parsed_1ato 3
42 1 2 . . . . . . . . . 16 . H1' parsed_1ato 3
43 1 1 . . . . . . . . . 16 . H1' parsed_1ato 3
43 1 2 . . . . . . . . . 17 . H1' parsed_1ato 3
44 1 1 . . . . . . . . . 16 . H1' parsed_1ato 3
44 1 2 . . . . . . . . . 17 . H8 parsed_1ato 3
45 1 1 . . . . . . . . . 16 . H5 parsed_1ato 3
45 1 2 . . . . . . . . . 15 . H1' parsed_1ato 3
46 1 1 . . . . . . . . . 16 . H2' parsed_1ato 3
46 1 2 . . . . . . . . . 17 . H1' parsed_1ato 3
47 1 1 . . . . . . . . . 16 . H2' parsed_1ato 3
47 1 2 . . . . . . . . . 17 . H8 parsed_1ato 3
48 1 1 . . . . . . . . . 17 . H1' parsed_1ato 3
48 1 2 . . . . . . . . . 18 . H1' parsed_1ato 3
49 1 1 . . . . . . . . . 18 . H5 parsed_1ato 3
49 1 2 . . . . . . . . . 17 . H1' parsed_1ato 3
50 1 1 . . . . . . . . . 17 . H1' parsed_1ato 3
50 1 2 . . . . . . . . . 18 . H6 parsed_1ato 3
51 1 1 . . . . . . . . . 18 . H5 parsed_1ato 3
51 1 2 . . . . . . . . . 17 . H8 parsed_1ato 3
52 1 1 . . . . . . . . . 17 . H2' parsed_1ato 3
52 1 2 . . . . . . . . . 18 . H1' parsed_1ato 3
53 1 1 . . . . . . . . . 17 . H2' parsed_1ato 3
53 1 2 . . . . . . . . . 18 . H5 parsed_1ato 3
54 1 1 . . . . . . . . . 17 . H2' parsed_1ato 3
54 1 2 . . . . . . . . . 18 . H6 parsed_1ato 3
55 1 1 . . . . . . . . . 17 . H3' parsed_1ato 3
55 1 2 . . . . . . . . . 18 . H6 parsed_1ato 3
56 1 1 . . . . . . . . . 18 . H1' parsed_1ato 3
56 1 2 . . . . . . . . . 19 . H6 parsed_1ato 3
57 1 1 . . . . . . . . . 19 . H3' parsed_1ato 3
57 1 2 . . . . . . . . . 18 . H1' parsed_1ato 3
58 1 1 . . . . . . . . . 18 . H5 parsed_1ato 3
58 1 2 . . . . . . . . . 19 . H5 parsed_1ato 3
59 1 1 . . . . . . . . . 18 . H3' parsed_1ato 3
59 1 2 . . . . . . . . . 19 . H5 parsed_1ato 3
60 1 1 . . . . . . . . . 18 . H3' parsed_1ato 3
60 1 2 . . . . . . . . . 19 . H6 parsed_1ato 3
61 1 1 . . . . . . . . . 18 . H2' parsed_1ato 3
61 1 2 . . . . . . . . . 19 . H1' parsed_1ato 3
62 1 1 . . . . . . . . . 18 . H2' parsed_1ato 3
62 1 2 . . . . . . . . . 19 . H6 parsed_1ato 3
63 1 1 . . . . . . . . . 18 . H3' parsed_1ato 3
63 1 2 . . . . . . . . . 19 . H5 parsed_1ato 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 . . . . . 3.5 2.4 4.2 parsed_1ato 3
2 1 . . . . . 3.5 2.4 4.2 parsed_1ato 3
3 1 . . . . . 4.6 3.2 5.5 parsed_1ato 3
4 1 . . . . . 3.2 2.2 3.8 parsed_1ato 3
5 1 . . . . . 6.7 4.7 8.0 parsed_1ato 3
6 1 . . . . . 5.1 3.6 6.1 parsed_1ato 3
7 1 . . . . . 4.3 3.0 5.2 parsed_1ato 3
8 1 . . . . . 5.0 3.5 6.0 parsed_1ato 3
9 1 . . . . . 2.7 1.9 3.2 parsed_1ato 3
10 1 . . . . . 4.5 3.2 5.4 parsed_1ato 3
11 1 . . . . . 5.6 3.9 6.7 parsed_1ato 3
12 1 . . . . . 4.0 2.8 4.8 parsed_1ato 3
13 1 . . . . . 5.5 3.8 6.6 parsed_1ato 3
14 1 . . . . . 3.5 2.4 4.2 parsed_1ato 3
15 1 . . . . . 5.8 4.1 7.0 parsed_1ato 3
16 1 . . . . . 4.2 2.9 5.0 parsed_1ato 3
17 1 . . . . . 3.4 2.4 4.1 parsed_1ato 3
18 1 . . . . . 7.4 5.2 8.9 parsed_1ato 3
19 1 . . . . . 3.6 2.5 4.3 parsed_1ato 3
20 1 . . . . . 6.9 4.8 8.3 parsed_1ato 3
21 1 . . . . . 3.5 2.4 4.2 parsed_1ato 3
22 1 . . . . . 5.0 3.5 6.0 parsed_1ato 3
23 1 . . . . . 6.7 4.7 8.0 parsed_1ato 3
24 1 . . . . . 4.4 3.1 5.3 parsed_1ato 3
25 1 . . . . . 4.9 3.4 5.9 parsed_1ato 3
26 1 . . . . . 4.6 3.2 5.5 parsed_1ato 3
27 1 . . . . . 3.1 2.2 3.7 parsed_1ato 3
28 1 . . . . . 5.0 3.5 6.0 parsed_1ato 3
29 1 . . . . . 4.5 3.2 5.4 parsed_1ato 3
30 1 . . . . . 4.5 3.3 5.4 parsed_1ato 3
31 1 . . . . . 4.4 3.1 5.3 parsed_1ato 3
32 1 . . . . . 4.0 2.8 4.8 parsed_1ato 3
33 1 . . . . . 3.5 2.4 4.2 parsed_1ato 3
34 1 . . . . . 2.7 1.9 3.2 parsed_1ato 3
35 1 . . . . . 5.6 3.9 6.7 parsed_1ato 3
36 1 . . . . . 4.7 3.3 5.6 parsed_1ato 3
37 1 . . . . . 3.5 2.4 4.2 parsed_1ato 3
38 1 . . . . . 4.6 3.2 5.5 parsed_1ato 3
39 1 . . . . . 6.0 4.2 7.2 parsed_1ato 3
40 1 . . . . . 4.1 2.9 4.9 parsed_1ato 3
41 1 . . . . . 2.6 1.8 3.1 parsed_1ato 3
42 1 . . . . . 4.5 3.1 5.4 parsed_1ato 3
43 1 . . . . . 4.8 3.4 5.8 parsed_1ato 3
44 1 . . . . . 4.5 3.1 5.4 parsed_1ato 3
45 1 . . . . . 4.9 3.4 5.9 parsed_1ato 3
46 1 . . . . . 4.5 3.2 5.4 parsed_1ato 3
47 1 . . . . . 3.4 2.4 4.1 parsed_1ato 3
48 1 . . . . . 5.5 3.9 6.6 parsed_1ato 3
49 1 . . . . . 6.0 4.2 7.2 parsed_1ato 3
50 1 . . . . . 4.2 2.9 5.0 parsed_1ato 3
51 1 . . . . . 5.2 3.6 6.2 parsed_1ato 3
52 1 . . . . . 4.3 3.0 5.2 parsed_1ato 3
53 1 . . . . . 5.0 3.5 6.0 parsed_1ato 3
54 1 . . . . . 2.8 2.0 3.4 parsed_1ato 3
55 1 . . . . . 3.6 2.5 4.3 parsed_1ato 3
56 1 . . . . . 4.3 3.0 5.2 parsed_1ato 3
57 1 . . . . . 6.1 4.3 7.3 parsed_1ato 3
58 1 . . . . . 4.0 2.8 4.8 parsed_1ato 3
59 1 . . . . . 4.7 3.3 5.6 parsed_1ato 3
60 1 . . . . . 2.8 2.0 3.4 parsed_1ato 3
61 1 . . . . . 4.6 3.2 5.5 parsed_1ato 3
62 1 . . . . . 2.4 1.7 2.9 parsed_1ato 3
63 1 . . . . . 4.0 2.8 4.8 parsed_1ato 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 "Veranderd res.1->res.2, intra" 1 1 1 31 parsed_1ato 3
2 "Int. changed 5/11/96" 50 1 50 22 parsed_1ato 3
3 "H2'->H3' 5/11/96" 55 1 55 18 parsed_1ato 3
4 "Toegevoegd 5/11/96" 77 1 77 20 parsed_1ato 3
5 "H3'->H2' 5/11/96" 82 1 82 18 parsed_1ato 3
6 "Afst. vergroot nav 100ms 6/11/96" 123 1 123 34 parsed_1ato 3
7
;
Uit 5/11/96: toek. onzeker
assign (resid 15 and name H1')
(resid 5 and name H1')
4.8 1.4 1.0
;
128 1 131 15 parsed_1ato 3
8 "toegevoegd 5/11/96" 180 1 180 20 parsed_1ato 3
9
;
Weg 5/11/96
assign ((resid 16 and name H5'1) or (resid 16 and name H5'2))
(resid 17 and name H1')
4.3 1.3 0.9
;
186 1 189 15 parsed_1ato 3
10 "Afst. veranderd nav 100ms 6/11/96" 195 1 195 35 parsed_1ato 3
11 "H1' v. 17->15 5/11/96" 200 1 200 23 parsed_1ato 3
12 "H3'->H2' 5/11/96" 205 1 205 18 parsed_1ato 3
13 "H3'->H2' 5/11/96" 210 1 210 18 parsed_1ato 3
14 "H2'->H3' 5/11/96" 259 1 259 18 parsed_1ato 3
15 "H2'->H3' 5/11/96" 264 1 264 18 parsed_1ato 3
16 "H3'->H2' 5/11/96" 269 1 269 18 parsed_1ato 3
17 "H3'->H2' 5/11/96" 274 1 274 18 parsed_1ato 3
18 "Toegevoegd 5/11/96" 279 1 279 20 parsed_1ato 3
stop_
save_
save_MR_file_comment_19
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 10
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 19
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on end
! filename sl3_interloop.dat
! Michael Kolk, 20/9/96
! 'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
! Lower bounds staan op 30%, upper bounds op 20%
! Uitproberen: alle G12 restraints 0.5A strakker 12/11/96
set message=off end
!Strakker 28/11/96
;
save_
save_CNS/XPLOR_distance_constraints_20
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ato
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 20
_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_1ato 4
2 1 . . . parsed_1ato 4
3 1 . . . parsed_1ato 4
4 1 . . . parsed_1ato 4
5 1 . . . parsed_1ato 4
6 1 . . . parsed_1ato 4
7 1 . . . parsed_1ato 4
8 1 . . . parsed_1ato 4
9 1 . . . parsed_1ato 4
10 1 . . . parsed_1ato 4
11 1 . . . parsed_1ato 4
12 1 . . . parsed_1ato 4
13 1 . . . parsed_1ato 4
14 1 . . . parsed_1ato 4
15 1 . . . parsed_1ato 4
16 1 . . . parsed_1ato 4
17 1 . . . parsed_1ato 4
18 1 . . . parsed_1ato 4
19 1 . . . parsed_1ato 4
20 1 . . . parsed_1ato 4
21 1 . . . parsed_1ato 4
22 1 . . . parsed_1ato 4
23 1 . . . parsed_1ato 4
24 1 . . . parsed_1ato 4
25 1 . . . parsed_1ato 4
26 1 . . . parsed_1ato 4
27 1 . . . parsed_1ato 4
28 1 . . . parsed_1ato 4
29 1 . . . parsed_1ato 4
30 1 . . . parsed_1ato 4
31 1 . . . parsed_1ato 4
32 1 . . . parsed_1ato 4
33 1 . . . parsed_1ato 4
34 1 . . . parsed_1ato 4
35 1 . . . parsed_1ato 4
36 1 . . . parsed_1ato 4
37 1 . . . parsed_1ato 4
38 1 . . . parsed_1ato 4
39 1 . . . parsed_1ato 4
40 1 . . . parsed_1ato 4
41 1 . . . parsed_1ato 4
42 1 . . . parsed_1ato 4
43 1 . . . parsed_1ato 4
44 1 . . . parsed_1ato 4
45 1 . . . parsed_1ato 4
46 1 . . . parsed_1ato 4
47 1 . . . parsed_1ato 4
48 1 . . . parsed_1ato 4
49 1 . . . parsed_1ato 4
50 1 . . . parsed_1ato 4
51 1 . . . parsed_1ato 4
52 1 . . . parsed_1ato 4
53 1 . . . parsed_1ato 4
54 1 . . . parsed_1ato 4
55 1 . . . parsed_1ato 4
56 1 . . . parsed_1ato 4
57 1 . . . parsed_1ato 4
58 1 . . . parsed_1ato 4
59 1 . . . parsed_1ato 4
60 1 . . . parsed_1ato 4
61 1 . . . parsed_1ato 4
62 1 . . . parsed_1ato 4
63 1 . . . parsed_1ato 4
64 1 . . . parsed_1ato 4
65 1 . . . parsed_1ato 4
66 1 . . . parsed_1ato 4
67 1 . . . parsed_1ato 4
68 1 . . . parsed_1ato 4
69 1 . . . parsed_1ato 4
70 1 . . . parsed_1ato 4
71 1 . . . parsed_1ato 4
72 1 . . . parsed_1ato 4
73 1 . . . parsed_1ato 4
74 1 . . . parsed_1ato 4
75 1 . . . parsed_1ato 4
76 1 . . . parsed_1ato 4
77 1 . . . parsed_1ato 4
78 1 . . . parsed_1ato 4
79 1 . . . parsed_1ato 4
80 1 . . . parsed_1ato 4
81 1 . . . parsed_1ato 4
82 1 . . . parsed_1ato 4
83 1 . . . parsed_1ato 4
84 1 . . . parsed_1ato 4
85 1 . . . parsed_1ato 4
86 1 . . . parsed_1ato 4
87 1 . . . parsed_1ato 4
88 1 . . . parsed_1ato 4
89 1 . . . parsed_1ato 4
90 1 . . . parsed_1ato 4
91 1 . . . parsed_1ato 4
92 1 . . . parsed_1ato 4
93 1 . . . parsed_1ato 4
94 1 . . . parsed_1ato 4
95 1 . . . parsed_1ato 4
96 1 . . . parsed_1ato 4
97 1 . . . parsed_1ato 4
98 1 . . . parsed_1ato 4
99 1 . . . parsed_1ato 4
100 1 . . . parsed_1ato 4
101 1 . . . parsed_1ato 4
102 1 . . . parsed_1ato 4
103 1 . . . parsed_1ato 4
104 1 . . . parsed_1ato 4
105 1 . . . parsed_1ato 4
106 1 . . . parsed_1ato 4
107 1 . . . parsed_1ato 4
108 1 . . . parsed_1ato 4
109 1 . . . parsed_1ato 4
110 1 . . . parsed_1ato 4
111 1 . . . parsed_1ato 4
112 1 . . . parsed_1ato 4
113 1 . . . parsed_1ato 4
114 1 . . . parsed_1ato 4
115 1 . . . parsed_1ato 4
116 1 . . . parsed_1ato 4
117 1 . . . parsed_1ato 4
118 1 . . . parsed_1ato 4
119 1 . . . parsed_1ato 4
120 1 . . . parsed_1ato 4
121 1 . . . parsed_1ato 4
122 1 . . . parsed_1ato 4
123 1 . . . parsed_1ato 4
124 1 . . . parsed_1ato 4
125 1 . . . parsed_1ato 4
126 1 . . . parsed_1ato 4
127 1 . . . parsed_1ato 4
128 1 . . . parsed_1ato 4
129 1 . . . parsed_1ato 4
130 1 . . . parsed_1ato 4
131 1 . . . parsed_1ato 4
132 1 . . . parsed_1ato 4
133 1 . . . parsed_1ato 4
134 1 . . . parsed_1ato 4
135 1 . . . parsed_1ato 4
136 1 . . . parsed_1ato 4
137 1 . . . parsed_1ato 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 . . . . . . . . . 6 . H2' parsed_1ato 4
1 1 2 . . . . . . . . . 7 . H5 parsed_1ato 4
2 1 1 . . . . . . . . . 6 . H2' parsed_1ato 4
2 1 2 . . . . . . . . . 7 . H6 parsed_1ato 4
3 1 1 . . . . . . . . . 6 . H3' parsed_1ato 4
3 1 2 . . . . . . . . . 7 . H5 parsed_1ato 4
4 1 1 . . . . . . . . . 6 . H2' parsed_1ato 4
4 1 2 . . . . . . . . . 7 . H1' parsed_1ato 4
5 1 1 . . . . . . . . . 6 . H6 parsed_1ato 4
5 1 2 . . . . . . . . . 7 . H5 parsed_1ato 4
6 1 1 . . . . . . . . . 7 . H5 parsed_1ato 4
6 1 2 . . . . . . . . . 8 . H5 parsed_1ato 4
7 1 1 . . . . . . . . . 7 . H2' parsed_1ato 4
7 1 2 . . . . . . . . . 8 . H1' parsed_1ato 4
8 1 1 . . . . . . . . . 7 . H2' parsed_1ato 4
8 1 2 . . . . . . . . . 8 . H6 parsed_1ato 4
9 1 1 . . . . . . . . . 7 . H1' parsed_1ato 4
9 1 2 . . . . . . . . . 8 . H6 parsed_1ato 4
10 1 1 . . . . . . . . . 7 . H3' parsed_1ato 4
10 1 2 . . . . . . . . . 8 . H6 parsed_1ato 4
11 1 1 . . . . . . . . . 7 . H3' parsed_1ato 4
11 1 2 . . . . . . . . . 8 . H5 parsed_1ato 4
12 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 4
12 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 4
12 1 2 . . . . . . . . . 9 . H6 parsed_1ato 4
13 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 4
13 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 4
13 1 2 . . . . . . . . . 9 . H5 parsed_1ato 4
14 1 1 . . . . . . . . . 9 . H5 parsed_1ato 4
14 1 2 . . . . . . . . . 8 . H5 parsed_1ato 4
15 1 1 . . . . . . . . . 9 . H5 parsed_1ato 4
15 1 2 . . . . . . . . . 8 . H6 parsed_1ato 4
16 1 1 . . . . . . . . . 8 . H2' parsed_1ato 4
16 1 2 . . . . . . . . . 9 . H1' parsed_1ato 4
17 1 1 . . . . . . . . . 8 . H2' parsed_1ato 4
17 1 2 . . . . . . . . . 9 . H6 parsed_1ato 4
18 1 1 . . . . . . . . . 8 . H3' parsed_1ato 4
18 1 2 . . . . . . . . . 9 . H6 parsed_1ato 4
19 1 1 . . . . . . . . . 8 . H4' parsed_1ato 4
19 1 2 . . . . . . . . . 9 . H6 parsed_1ato 4
20 1 1 . . . . . . . . . 9 . H2' parsed_1ato 4
20 1 2 . . . . . . . . . 10 . H6 parsed_1ato 4
21 1 1 . . . . . . . . . 9 . H4' parsed_1ato 4
21 1 2 . . . . . . . . . 10 . H6 parsed_1ato 4
22 1 1 . . . . . . . . . 9 . H3' parsed_1ato 4
22 1 2 . . . . . . . . . 10 . H6 parsed_1ato 4
23 1 1 . . . . . . . . . 10 . H5 parsed_1ato 4
23 1 2 . . . . . . . . . 9 . H6 parsed_1ato 4
24 1 1 . . . . . . . . . 9 . H3' parsed_1ato 4
24 1 2 . . . . . . . . . 10 . H5 parsed_1ato 4
25 1 1 . . . . . . . . . 9 . H5 parsed_1ato 4
25 1 2 . . . . . . . . . 10 . H5 parsed_1ato 4
26 1 1 . . . . . . . . . 10 . H5'1 parsed_1ato 4
26 1 1 . . . . . . . . . 10 . H5'2 parsed_1ato 4
26 1 2 . . . . . . . . . 11 . H5 parsed_1ato 4
27 1 1 . . . . . . . . . 10 . H5'1 parsed_1ato 4
27 1 1 . . . . . . . . . 10 . H5'2 parsed_1ato 4
27 1 2 . . . . . . . . . 11 . H6 parsed_1ato 4
28 1 1 . . . . . . . . . 11 . H5'1 parsed_1ato 4
28 1 1 . . . . . . . . . 11 . H5'2 parsed_1ato 4
28 1 2 . . . . . . . . . 10 . H1' parsed_1ato 4
29 1 1 . . . . . . . . . 10 . H1' parsed_1ato 4
29 1 2 . . . . . . . . . 11 . H6 parsed_1ato 4
30 1 1 . . . . . . . . . 10 . H1' parsed_1ato 4
30 1 2 . . . . . . . . . 11 . H5 parsed_1ato 4
31 1 1 . . . . . . . . . 10 . H3' parsed_1ato 4
31 1 2 . . . . . . . . . 11 . H6 parsed_1ato 4
32 1 1 . . . . . . . . . 10 . H3' parsed_1ato 4
32 1 2 . . . . . . . . . 11 . H5 parsed_1ato 4
33 1 1 . . . . . . . . . 10 . H4' parsed_1ato 4
33 1 2 . . . . . . . . . 11 . H5 parsed_1ato 4
34 1 1 . . . . . . . . . 10 . H4' parsed_1ato 4
34 1 2 . . . . . . . . . 11 . H6 parsed_1ato 4
35 1 1 . . . . . . . . . 11 . H5'1 parsed_1ato 4
35 1 1 . . . . . . . . . 11 . H5'2 parsed_1ato 4
35 1 2 . . . . . . . . . 12 . H8 parsed_1ato 4
36 1 1 . . . . . . . . . 11 . H3' parsed_1ato 4
36 1 2 . . . . . . . . . 12 . H8 parsed_1ato 4
37 1 1 . . . . . . . . . 13 . H5 parsed_1ato 4
37 1 2 . . . . . . . . . 12 . H8 parsed_1ato 4
38 1 1 . . . . . . . . . 13 . H5 parsed_1ato 4
38 1 2 . . . . . . . . . 12 . H1' parsed_1ato 4
39 1 1 . . . . . . . . . 12 . H1' parsed_1ato 4
39 1 2 . . . . . . . . . 13 . H6 parsed_1ato 4
40 1 1 . . . . . . . . . 12 . H8 parsed_1ato 4
40 1 2 . . . . . . . . . 13 . H6 parsed_1ato 4
41 1 1 . . . . . . . . . 12 . H3' parsed_1ato 4
41 1 2 . . . . . . . . . 13 . H6 parsed_1ato 4
42 1 1 . . . . . . . . . 13 . H1' parsed_1ato 4
42 1 2 . . . . . . . . . 14 . H8 parsed_1ato 4
43 1 1 . . . . . . . . . 13 . H5 parsed_1ato 4
43 1 2 . . . . . . . . . 14 . H8 parsed_1ato 4
44 1 1 . . . . . . . . . 13 . H2' parsed_1ato 4
44 1 2 . . . . . . . . . 14 . H1' parsed_1ato 4
45 1 1 . . . . . . . . . 13 . H2' parsed_1ato 4
45 1 2 . . . . . . . . . 14 . H8 parsed_1ato 4
46 1 1 . . . . . . . . . 13 . H3' parsed_1ato 4
46 1 2 . . . . . . . . . 14 . H8 parsed_1ato 4
47 1 1 . . . . . . . . . 1 . H5'1 parsed_1ato 4
47 1 1 . . . . . . . . . 1 . H5'2 parsed_1ato 4
47 1 2 . . . . . . . . . 1 . H1' parsed_1ato 4
48 1 1 . . . . . . . . . 1 . H5'1 parsed_1ato 4
48 1 1 . . . . . . . . . 1 . H5'2 parsed_1ato 4
48 1 2 . . . . . . . . . 1 . H8 parsed_1ato 4
49 1 1 . . . . . . . . . 1 . H5'1 parsed_1ato 4
49 1 2 . . . . . . . . . 1 . H1' parsed_1ato 4
50 1 1 . . . . . . . . . 1 . H5'1 parsed_1ato 4
50 1 2 . . . . . . . . . 1 . H8 parsed_1ato 4
51 1 1 . . . . . . . . . 1 . H5'1 parsed_1ato 4
51 1 2 . . . . . . . . . 1 . H2' parsed_1ato 4
52 1 1 . . . . . . . . . 1 . H1' parsed_1ato 4
52 1 2 . . . . . . . . . 1 . H8 parsed_1ato 4
53 1 1 . . . . . . . . . 1 . H2' parsed_1ato 4
53 1 2 . . . . . . . . . 1 . H1' parsed_1ato 4
54 1 1 . . . . . . . . . 1 . H4' parsed_1ato 4
54 1 2 . . . . . . . . . 1 . H1' parsed_1ato 4
55 1 1 . . . . . . . . . 1 . H2' parsed_1ato 4
55 1 2 . . . . . . . . . 1 . H8 parsed_1ato 4
56 1 1 . . . . . . . . . 1 . H4' parsed_1ato 4
56 1 2 . . . . . . . . . 1 . H8 parsed_1ato 4
57 1 1 . . . . . . . . . 1 . H4' parsed_1ato 4
57 1 2 . . . . . . . . . 1 . H2' parsed_1ato 4
58 1 1 . . . . . . . . . 2 . H1' parsed_1ato 4
58 1 2 . . . . . . . . . 2 . H8 parsed_1ato 4
59 1 1 . . . . . . . . . 2 . H2' parsed_1ato 4
59 1 2 . . . . . . . . . 2 . H1' parsed_1ato 4
60 1 1 . . . . . . . . . 2 . H3' parsed_1ato 4
60 1 2 . . . . . . . . . 2 . H1' parsed_1ato 4
61 1 1 . . . . . . . . . 2 . H5'1 parsed_1ato 4
61 1 1 . . . . . . . . . 2 . H5'2 parsed_1ato 4
61 1 2 . . . . . . . . . 2 . H1' parsed_1ato 4
62 1 1 . . . . . . . . . 2 . H2' parsed_1ato 4
62 1 2 . . . . . . . . . 2 . H8 parsed_1ato 4
63 1 1 . . . . . . . . . 2 . H3' parsed_1ato 4
63 1 2 . . . . . . . . . 2 . H8 parsed_1ato 4
64 1 1 . . . . . . . . . 2 . H5'1 parsed_1ato 4
64 1 2 . . . . . . . . . 2 . H8 parsed_1ato 4
65 1 1 . . . . . . . . . 3 . H2' parsed_1ato 4
65 1 2 . . . . . . . . . 3 . H1' parsed_1ato 4
66 1 1 . . . . . . . . . 3 . H5 parsed_1ato 4
66 1 2 . . . . . . . . . 3 . H1' parsed_1ato 4
67 1 1 . . . . . . . . . 3 . H1' parsed_1ato 4
67 1 2 . . . . . . . . . 3 . H6 parsed_1ato 4
68 1 1 . . . . . . . . . 3 . H3' parsed_1ato 4
68 1 2 . . . . . . . . . 3 . H1' parsed_1ato 4
69 1 1 . . . . . . . . . 3 . H4' parsed_1ato 4
69 1 2 . . . . . . . . . 3 . H1' parsed_1ato 4
70 1 1 . . . . . . . . . 3 . H2' parsed_1ato 4
70 1 2 . . . . . . . . . 3 . H6 parsed_1ato 4
71 1 1 . . . . . . . . . 3 . H3' parsed_1ato 4
71 1 2 . . . . . . . . . 3 . H6 parsed_1ato 4
72 1 1 . . . . . . . . . 3 . H4' parsed_1ato 4
72 1 2 . . . . . . . . . 3 . H6 parsed_1ato 4
73 1 1 . . . . . . . . . 4 . H5'1 parsed_1ato 4
73 1 1 . . . . . . . . . 4 . H5'2 parsed_1ato 4
73 1 2 . . . . . . . . . 4 . H1' parsed_1ato 4
74 1 1 . . . . . . . . . 4 . H4' parsed_1ato 4
74 1 2 . . . . . . . . . 4 . H1' parsed_1ato 4
75 1 1 . . . . . . . . . 4 . H1' parsed_1ato 4
75 1 2 . . . . . . . . . 4 . H2 parsed_1ato 4
76 1 1 . . . . . . . . . 4 . H1' parsed_1ato 4
76 1 2 . . . . . . . . . 4 . H8 parsed_1ato 4
77 1 1 . . . . . . . . . 4 . H2' parsed_1ato 4
77 1 2 . . . . . . . . . 4 . H1' parsed_1ato 4
78 1 1 . . . . . . . . . 4 . H3' parsed_1ato 4
78 1 2 . . . . . . . . . 4 . H1' parsed_1ato 4
79 1 1 . . . . . . . . . 4 . H3' parsed_1ato 4
79 1 2 . . . . . . . . . 4 . H8 parsed_1ato 4
80 1 1 . . . . . . . . . 5 . H5'1 parsed_1ato 4
80 1 1 . . . . . . . . . 5 . H5'2 parsed_1ato 4
80 1 2 . . . . . . . . . 5 . H6 parsed_1ato 4
81 1 1 . . . . . . . . . 5 . H4' parsed_1ato 4
81 1 2 . . . . . . . . . 5 . H6 parsed_1ato 4
82 1 1 . . . . . . . . . 5 . H5'1 parsed_1ato 4
82 1 1 . . . . . . . . . 5 . H5'2 parsed_1ato 4
82 1 2 . . . . . . . . . 5 . H1' parsed_1ato 4
83 1 1 . . . . . . . . . 5 . H5'1 parsed_1ato 4
83 1 1 . . . . . . . . . 5 . H5'2 parsed_1ato 4
83 1 2 . . . . . . . . . 5 . H5 parsed_1ato 4
84 1 1 . . . . . . . . . 5 . H1' parsed_1ato 4
84 1 2 . . . . . . . . . 5 . H6 parsed_1ato 4
85 1 1 . . . . . . . . . 5 . H2' parsed_1ato 4
85 1 2 . . . . . . . . . 5 . H1' parsed_1ato 4
86 1 1 . . . . . . . . . 5 . H3' parsed_1ato 4
86 1 2 . . . . . . . . . 5 . H1' parsed_1ato 4
87 1 1 . . . . . . . . . 5 . H2' parsed_1ato 4
87 1 2 . . . . . . . . . 5 . H6 parsed_1ato 4
88 1 1 . . . . . . . . . 5 . H3' parsed_1ato 4
88 1 2 . . . . . . . . . 5 . H6 parsed_1ato 4
89 1 1 . . . . . . . . . 6 . H4' parsed_1ato 4
89 1 2 . . . . . . . . . 6 . H1' parsed_1ato 4
90 1 1 . . . . . . . . . 6 . H4' parsed_1ato 4
90 1 2 . . . . . . . . . 6 . H6 parsed_1ato 4
91 1 1 . . . . . . . . . 6 . H1' parsed_1ato 4
91 1 2 . . . . . . . . . 6 . H6 parsed_1ato 4
92 1 1 . . . . . . . . . 6 . H2' parsed_1ato 4
92 1 2 . . . . . . . . . 6 . H1' parsed_1ato 4
93 1 1 . . . . . . . . . 6 . H3' parsed_1ato 4
93 1 2 . . . . . . . . . 6 . H1' parsed_1ato 4
94 1 1 . . . . . . . . . 6 . H5'1 parsed_1ato 4
94 1 1 . . . . . . . . . 6 . H5'2 parsed_1ato 4
94 1 2 . . . . . . . . . 6 . H1' parsed_1ato 4
95 1 1 . . . . . . . . . 14 . H1' parsed_1ato 4
95 1 2 . . . . . . . . . 14 . H8 parsed_1ato 4
96 1 1 . . . . . . . . . 14 . H2' parsed_1ato 4
96 1 2 . . . . . . . . . 14 . H1' parsed_1ato 4
97 1 1 . . . . . . . . . 14 . H2' parsed_1ato 4
97 1 2 . . . . . . . . . 14 . H8 parsed_1ato 4
98 1 1 . . . . . . . . . 15 . H1' parsed_1ato 4
98 1 2 . . . . . . . . . 15 . H8 parsed_1ato 4
99 1 1 . . . . . . . . . 15 . H2' parsed_1ato 4
99 1 2 . . . . . . . . . 15 . H8 parsed_1ato 4
100 1 1 . . . . . . . . . 15 . H3' parsed_1ato 4
100 1 2 . . . . . . . . . 15 . H8 parsed_1ato 4
101 1 1 . . . . . . . . . 15 . H2' parsed_1ato 4
101 1 2 . . . . . . . . . 15 . H1' parsed_1ato 4
102 1 1 . . . . . . . . . 15 . H3' parsed_1ato 4
102 1 2 . . . . . . . . . 15 . H1' parsed_1ato 4
103 1 1 . . . . . . . . . 15 . H5'1 parsed_1ato 4
103 1 1 . . . . . . . . . 15 . H5'2 parsed_1ato 4
103 1 2 . . . . . . . . . 15 . H8 parsed_1ato 4
104 1 1 . . . . . . . . . 16 . H5'1 parsed_1ato 4
104 1 1 . . . . . . . . . 16 . H5'2 parsed_1ato 4
104 1 2 . . . . . . . . . 16 . H1' parsed_1ato 4
105 1 1 . . . . . . . . . 16 . H5'1 parsed_1ato 4
105 1 1 . . . . . . . . . 16 . H5'2 parsed_1ato 4
105 1 2 . . . . . . . . . 16 . H6 parsed_1ato 4
106 1 1 . . . . . . . . . 16 . H5 parsed_1ato 4
106 1 2 . . . . . . . . . 16 . H1' parsed_1ato 4
107 1 1 . . . . . . . . . 16 . H1' parsed_1ato 4
107 1 2 . . . . . . . . . 16 . H6 parsed_1ato 4
108 1 1 . . . . . . . . . 16 . H2' parsed_1ato 4
108 1 2 . . . . . . . . . 16 . H1' parsed_1ato 4
109 1 1 . . . . . . . . . 16 . H2' parsed_1ato 4
109 1 2 . . . . . . . . . 16 . H1' parsed_1ato 4
110 1 1 . . . . . . . . . 16 . H3' parsed_1ato 4
110 1 2 . . . . . . . . . 16 . H5 parsed_1ato 4
111 1 1 . . . . . . . . . 16 . H3' parsed_1ato 4
111 1 2 . . . . . . . . . 16 . H6 parsed_1ato 4
112 1 1 . . . . . . . . . 17 . H3' parsed_1ato 4
112 1 2 . . . . . . . . . 17 . H8 parsed_1ato 4
113 1 1 . . . . . . . . . 17 . H4' parsed_1ato 4
113 1 2 . . . . . . . . . 17 . H8 parsed_1ato 4
114 1 1 . . . . . . . . . 17 . H1' parsed_1ato 4
114 1 2 . . . . . . . . . 17 . H8 parsed_1ato 4
115 1 1 . . . . . . . . . 17 . H2' parsed_1ato 4
115 1 2 . . . . . . . . . 17 . H1' parsed_1ato 4
116 1 1 . . . . . . . . . 17 . H3' parsed_1ato 4
116 1 2 . . . . . . . . . 17 . H1' parsed_1ato 4
117 1 1 . . . . . . . . . 17 . H2' parsed_1ato 4
117 1 2 . . . . . . . . . 17 . H8 parsed_1ato 4
118 1 1 . . . . . . . . . 18 . H5'1 parsed_1ato 4
118 1 1 . . . . . . . . . 18 . H5'2 parsed_1ato 4
118 1 2 . . . . . . . . . 18 . H1' parsed_1ato 4
119 1 1 . . . . . . . . . 18 . H5'1 parsed_1ato 4
119 1 1 . . . . . . . . . 18 . H5'2 parsed_1ato 4
119 1 2 . . . . . . . . . 18 . H6 parsed_1ato 4
120 1 1 . . . . . . . . . 18 . H5'1 parsed_1ato 4
120 1 1 . . . . . . . . . 18 . H5'2 parsed_1ato 4
120 1 2 . . . . . . . . . 18 . H1' parsed_1ato 4
121 1 1 . . . . . . . . . 18 . H4' parsed_1ato 4
121 1 2 . . . . . . . . . 18 . H1' parsed_1ato 4
122 1 1 . . . . . . . . . 18 . H4' parsed_1ato 4
122 1 2 . . . . . . . . . 18 . H6 parsed_1ato 4
123 1 1 . . . . . . . . . 18 . H1' parsed_1ato 4
123 1 2 . . . . . . . . . 18 . H6 parsed_1ato 4
124 1 1 . . . . . . . . . 18 . H3' parsed_1ato 4
124 1 2 . . . . . . . . . 18 . H5 parsed_1ato 4
125 1 1 . . . . . . . . . 18 . H3' parsed_1ato 4
125 1 2 . . . . . . . . . 18 . H1' parsed_1ato 4
126 1 1 . . . . . . . . . 18 . H2' parsed_1ato 4
126 1 2 . . . . . . . . . 18 . H1' parsed_1ato 4
127 1 1 . . . . . . . . . 18 . H3' parsed_1ato 4
127 1 2 . . . . . . . . . 18 . H5 parsed_1ato 4
128 1 1 . . . . . . . . . 18 . H3' parsed_1ato 4
128 1 2 . . . . . . . . . 18 . H6 parsed_1ato 4
129 1 1 . . . . . . . . . 18 . H2' parsed_1ato 4
129 1 2 . . . . . . . . . 18 . H6 parsed_1ato 4
130 1 1 . . . . . . . . . 19 . H5'1 parsed_1ato 4
130 1 1 . . . . . . . . . 19 . H5'2 parsed_1ato 4
130 1 2 . . . . . . . . . 19 . H6 parsed_1ato 4
131 1 1 . . . . . . . . . 19 . H1' parsed_1ato 4
131 1 2 . . . . . . . . . 19 . H6 parsed_1ato 4
132 1 1 . . . . . . . . . 19 . H2' parsed_1ato 4
132 1 2 . . . . . . . . . 19 . H1' parsed_1ato 4
133 1 1 . . . . . . . . . 19 . H3' parsed_1ato 4
133 1 2 . . . . . . . . . 19 . H1' parsed_1ato 4
134 1 1 . . . . . . . . . 19 . H2' parsed_1ato 4
134 1 2 . . . . . . . . . 19 . H6 parsed_1ato 4
135 1 1 . . . . . . . . . 19 . H3' parsed_1ato 4
135 1 2 . . . . . . . . . 19 . H6 parsed_1ato 4
136 1 1 . . . . . . . . . 19 . H4' parsed_1ato 4
136 1 2 . . . . . . . . . 19 . H6 parsed_1ato 4
137 1 1 . . . . . . . . . 19 . H4' parsed_1ato 4
137 1 2 . . . . . . . . . 19 . H1' parsed_1ato 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 . . . . . 4.5 4.0 5.5 parsed_1ato 4
2 1 . . . . . 2.4 1.7 2.9 parsed_1ato 4
3 1 . . . . . 3.9 2.7 4.7 parsed_1ato 4
4 1 . . . . . 4.1 2.9 4.9 parsed_1ato 4
5 1 . . . . . 5.0 3.5 6.0 parsed_1ato 4
6 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
7 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
8 1 . . . . . 2.5 1.7 3.0 parsed_1ato 4
9 1 . . . . . 4.5 3.0 6.0 parsed_1ato 4
10 1 . . . . . 3.0 2.0 4.0 parsed_1ato 4
11 1 . . . . . 3.5 2.3 4.7 parsed_1ato 4
12 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
13 1 . . . . . 5.0 3.2 6.8 parsed_1ato 4
14 1 . . . . . 3.8 2.7 4.6 parsed_1ato 4
15 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
16 1 . . . . . 4.2 2.9 5.0 parsed_1ato 4
17 1 . . . . . 2.7 1.9 3.2 parsed_1ato 4
18 1 . . . . . 3.0 2.1 3.6 parsed_1ato 4
19 1 . . . . . 4.7 3.3 5.6 parsed_1ato 4
20 1 . . . . . 3.2 2.2 3.8 parsed_1ato 4
21 1 . . . . . 4.2 2.9 5.0 parsed_1ato 4
22 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
23 1 . . . . . 4.7 3.3 5.6 parsed_1ato 4
24 1 . . . . . 4.5 3.0 6.0 parsed_1ato 4
25 1 . . . . . 5.0 3.5 6.5 parsed_1ato 4
26 1 . . . . . 4.8 3.4 5.8 parsed_1ato 4
27 1 . . . . . 4.2 2.9 5.0 parsed_1ato 4
28 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
29 1 . . . . . 4.5 3.15 5.85 parsed_1ato 4
30 1 . . . . . 4.5 3.0 6.0 parsed_1ato 4
31 1 . . . . . 3.3 2.3 4.0 parsed_1ato 4
32 1 . . . . . 5.0 3.5 6.5 parsed_1ato 4
33 1 . . . . . 3.5 2.1 4.2 parsed_1ato 4
34 1 . . . . . 3.4 2.0 4.1 parsed_1ato 4
35 1 . . . . . 4.6 3.2 5.5 parsed_1ato 4
36 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
37 1 . . . . . 5.5 3.8 6.6 parsed_1ato 4
38 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
39 1 . . . . . 3.0 2.1 3.6 parsed_1ato 4
40 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
41 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
42 1 . . . . . 4.0 2.8 5.2 parsed_1ato 4
43 1 . . . . . 4.5 3.2 5.4 parsed_1ato 4
44 1 . . . . . 3.9 2.7 4.7 parsed_1ato 4
45 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
46 1 . . . . . 2.8 2.0 3.4 parsed_1ato 4
47 1 . . . . . 4.7 3.3 5.6 parsed_1ato 4
48 1 . . . . . 3.4 2.4 4.1 parsed_1ato 4
49 1 . . . . . 4.2 2.9 5.0 parsed_1ato 4
50 1 . . . . . 4.3 3.0 5.2 parsed_1ato 4
51 1 . . . . . 3.9 2.7 4.7 parsed_1ato 4
52 1 . . . . . 4.2 2.9 5.0 parsed_1ato 4
53 1 . . . . . 3.4 2.4 4.1 parsed_1ato 4
54 1 . . . . . 3.6 2.5 4.3 parsed_1ato 4
55 1 . . . . . 4.3 3.0 5.2 parsed_1ato 4
56 1 . . . . . 4.6 3.2 5.5 parsed_1ato 4
57 1 . . . . . 3.6 2.5 4.3 parsed_1ato 4
58 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
59 1 . . . . . 3.0 2.1 3.6 parsed_1ato 4
60 1 . . . . . 4.1 2.9 4.9 parsed_1ato 4
61 1 . . . . . 4.7 3.3 5.6 parsed_1ato 4
62 1 . . . . . 3.4 2.4 4.1 parsed_1ato 4
63 1 . . . . . 4.1 2.9 4.9 parsed_1ato 4
64 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
65 1 . . . . . 3.1 2.2 3.7 parsed_1ato 4
66 1 . . . . . 6.2 4.3 7.4 parsed_1ato 4
67 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
68 1 . . . . . 4.2 2.9 5.0 parsed_1ato 4
69 1 . . . . . 3.6 2.5 4.3 parsed_1ato 4
70 1 . . . . . 3.4 2.3 4.1 parsed_1ato 4
71 1 . . . . . 3.0 2.1 3.6 parsed_1ato 4
72 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
73 1 . . . . . 5.0 3.5 6.0 parsed_1ato 4
74 1 . . . . . 3.8 2.7 4.6 parsed_1ato 4
75 1 . . . . . 4.5 3.2 5.4 parsed_1ato 4
76 1 . . . . . 4.2 2.9 5.0 parsed_1ato 4
77 1 . . . . . 3.3 2.3 4.0 parsed_1ato 4
78 1 . . . . . 4.5 3.2 5.4 parsed_1ato 4
79 1 . . . . . 3.6 2.5 4.3 parsed_1ato 4
80 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
81 1 . . . . . 4.3 3.0 5.2 parsed_1ato 4
82 1 . . . . . 4.4 3.1 5.3 parsed_1ato 4
83 1 . . . . . 6.2 4.3 7.4 parsed_1ato 4
84 1 . . . . . 3.9 2.7 4.7 parsed_1ato 4
85 1 . . . . . 2.7 1.9 3.2 parsed_1ato 4
86 1 . . . . . 3.7 2.6 4.4 parsed_1ato 4
87 1 . . . . . 3.9 2.7 4.7 parsed_1ato 4
88 1 . . . . . 2.9 2.0 3.5 parsed_1ato 4
89 1 . . . . . 3.9 2.7 4.7 parsed_1ato 4
90 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
91 1 . . . . . 3.7 2.6 4.4 parsed_1ato 4
92 1 . . . . . 2.8 2.0 3.4 parsed_1ato 4
93 1 . . . . . 3.4 2.4 4.1 parsed_1ato 4
94 1 . . . . . 4.5 3.1 5.4 parsed_1ato 4
95 1 . . . . . 4.1 2.9 4.9 parsed_1ato 4
96 1 . . . . . 3.3 2.3 4.0 parsed_1ato 4
97 1 . . . . . 3.2 2.2 3.8 parsed_1ato 4
98 1 . . . . . 4.4 3.1 5.3 parsed_1ato 4
99 1 . . . . . 3.7 2.5 4.4 parsed_1ato 4
100 1 . . . . . 3.9 2.7 4.7 parsed_1ato 4
101 1 . . . . . 2.6 1.8 3.1 parsed_1ato 4
102 1 . . . . . 3.7 2.5 4.4 parsed_1ato 4
103 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
104 1 . . . . . 4.7 3.3 5.6 parsed_1ato 4
105 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
106 1 . . . . . 7.3 5.1 8.8 parsed_1ato 4
107 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
108 1 . . . . . 3.4 2.4 4.1 parsed_1ato 4
109 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
110 1 . . . . . 3.8 2.7 4.6 parsed_1ato 4
111 1 . . . . . 3.2 2.2 3.8 parsed_1ato 4
112 1 . . . . . 3.0 2.1 3.6 parsed_1ato 4
113 1 . . . . . 3.6 2.5 4.3 parsed_1ato 4
114 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
115 1 . . . . . 2.8 2.0 3.4 parsed_1ato 4
116 1 . . . . . 3.6 2.5 4.3 parsed_1ato 4
117 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
118 1 . . . . . 4.3 3.0 5.2 parsed_1ato 4
119 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
120 1 . . . . . 5.0 3.5 6.0 parsed_1ato 4
121 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
122 1 . . . . . 3.5 2.4 4.2 parsed_1ato 4
123 1 . . . . . 3.8 2.7 4.6 parsed_1ato 4
124 1 . . . . . 4.8 3.4 5.8 parsed_1ato 4
125 1 . . . . . 3.2 2.2 3.8 parsed_1ato 4
126 1 . . . . . 2.7 1.9 3.2 parsed_1ato 4
127 1 . . . . . 4.8 3.4 5.8 parsed_1ato 4
128 1 . . . . . 2.8 2.0 3.4 parsed_1ato 4
129 1 . . . . . 3.6 2.5 4.3 parsed_1ato 4
130 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
131 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
132 1 . . . . . 2.6 1.8 3.1 parsed_1ato 4
133 1 . . . . . 3.1 2.2 3.7 parsed_1ato 4
134 1 . . . . . 2.8 2.0 3.4 parsed_1ato 4
135 1 . . . . . 2.8 2.0 3.4 parsed_1ato 4
136 1 . . . . . 4.0 2.8 4.8 parsed_1ato 4
137 1 . . . . . 3.5 2.4 4.2 parsed_1ato 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 "Toegevoegd 8/11/96" 18 1 18 20 parsed_1ato 4
2 "Strakker gezet nav 200ms 8/11/96" 23 1 23 34 parsed_1ato 4
3 "Ruimer ivm overlap 8/11/96" 28 1 28 28 parsed_1ato 4
4 "Toegevoegd 30/9/96" 37 1 37 20 parsed_1ato 4
5 "Toegevoegd 30/9/96" 42 1 42 20 parsed_1ato 4
6 "Toegevoegd 30/9/96" 47 1 47 20 parsed_1ato 4
7 "Veranderd 1/10/96; int. overeenkomstig H5'; int. gewijzigd 18/10/96" 52 1 52 69 parsed_1ato 4
8 "Toegevoegd 7/10/96; uit 18/10/96;weer aan 1/12/96" 57 1 57 51 parsed_1ato 4
9 "Toegevoegd 21/10/96" 83 1 83 21 parsed_1ato 4
10 "Verbeterd 30/9/96 (H5'->H3'); 18/10/96:H2'" 89 1 89 45 parsed_1ato 4
11 "Gewijzigd 18/10/96" 94 1 94 21 parsed_1ato 4
12 "Toegevoegd 8/11/96" 100 1 100 20 parsed_1ato 4
13 "Toegevoegd 30/9/96;" 110 1 110 21 parsed_1ato 4
14 "Toegevoegd 8/10/96:sl3noe05" 115 1 115 29 parsed_1ato 4
15 "Strakker gezet nav sl3noe05 9/10/96" 133 1 133 37 parsed_1ato 4
16 "Toegevoegd 9/10/96" 138 1 138 20 parsed_1ato 4
17 "Toegevoegd 1/10/96" 147 1 147 20 parsed_1ato 4
18 "Toegevoegd 4/12/96" 152 1 152 20 parsed_1ato 4
19 "Toegevoegd 4/12/96" 157 1 157 20 parsed_1ato 4
20 "Toegevoegd 8/10/96:sl3noe05" 184 1 184 29 parsed_1ato 4
21 "Toegevoegd 8/10/96" 189 1 189 20 parsed_1ato 4
22 "Strakker gezet 9/10/96" 194 1 194 25 parsed_1ato 4
23 message=on 215 1 215 18 parsed_1ato 4
24
;
filename sl3_intra.dat
Michael Kolk, 20/9/96
'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
Lower bounds staan op 30%, upper bounds op 20%
;
216 1 219 50 parsed_1ato 4
25 message=off 222 1 222 19 parsed_1ato 4
26 "H4'->H5' 5/11/96" 232 1 232 19 parsed_1ato 4
27 "H4'->H5' 5/11/96" 237 1 237 18 parsed_1ato 4
28 "H4'->H5' 5/11/96" 242 1 242 18 parsed_1ato 4
29 "H3'->H4' 5/11/96" 255 1 255 18 parsed_1ato 4
30 "H3'->H4' 5/11/96" 264 1 264 18 parsed_1ato 4
31 "H3'->H4' 5/11/96" 269 1 269 18 parsed_1ato 4
32 "Toegevoegd 5/11/96" 299 1 299 20 parsed_1ato 4
33 "H4'->H2' 5/11/96" 304 1 304 18 parsed_1ato 4
34 "H2'->H3' 5/11/96" 317 1 317 18 parsed_1ato 4
35 "H3'->H4' 5/11/96" 322 1 322 18 parsed_1ato 4
36 "Toegevoegd 5/11/96" 327 1 327 20 parsed_1ato 4
37 "H2'->H3' 5/11/96" 332 1 332 18 parsed_1ato 4
38 "Toegevoegd 5/11/96" 337 1 337 20 parsed_1ato 4
39
;
assign ((resid 5 and name H5'1) or (resid 5 and name H5'2))
(resid 5 and name H1')
3.5 1.1 0.7
Int. gewijzigd 5/11/96
;
371 1 375 24 parsed_1ato 4
40 "Toegevoegd 5/11/96" 380 1 380 20 parsed_1ato 4
41 "Int. changed 5/11/96: overlap with H3'" 418 1 418 40 parsed_1ato 4
42 "Int. changed 5/11/96" 435 1 435 22 parsed_1ato 4
43 "Toegevoegd 5/11/96; int. guess" 457 1 457 32 parsed_1ato 4
44 "Toegevoegd 5/11/96;" 462 1 462 21 parsed_1ato 4
45 "Toegevoegd 5/11/96" 472 1 472 20 parsed_1ato 4
46 "Toegevoegd 5/11/96;" 477 1 477 21 parsed_1ato 4
47 "H2'->H3' 5/11/96" 498 1 498 18 parsed_1ato 4
48 "H3'->H2' 5/11/96" 503 1 503 18 parsed_1ato 4
49 "H2'->H3' 5/11/96" 508 1 508 18 parsed_1ato 4
50 "H2'->H3' 5/11/96" 513 1 513 18 parsed_1ato 4
51 "Toegevoegd 5/11/96" 518 1 518 20 parsed_1ato 4
52 "Toegev. 5/11/96" 568 1 568 17 parsed_1ato 4
53 "H2'->H3' 5/11/96" 574 1 574 18 parsed_1ato 4
54 "H3'->H2' 5/11/96" 579 1 579 18 parsed_1ato 4
55 "H2'->H3' 5/11/96" 584 1 584 18 parsed_1ato 4
56 "H2'->H3' 5/11/96" 589 1 589 18 parsed_1ato 4
57 "H3'->H2' 5/11/96" 594 1 594 18 parsed_1ato 4
58 "Int. guess 5/11/96" 599 1 599 20 parsed_1ato 4
59 "Stand. guess 5/11/96" 620 1 620 22 parsed_1ato 4
60 "Stand. guess 5/11/96" 626 1 626 22 parsed_1ato 4
61 "Stand. guess 5/11/96" 631 1 631 22 parsed_1ato 4
stop_
save_
save_MR_file_comment_21
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 11
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 21
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on end
! filename sl3_intraloop2.dat
! Michael Kolk, 20/9/96
! 'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
! Lower bounds staan op 30%, upper bounds op 20%
! Alle G12 afstanden korter 12/11/96
set message=off end
;
save_
save_CNS/XPLOR_distance_constraints_22
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ato
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 22
_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_1ato 5
2 1 . . . parsed_1ato 5
3 1 . . . parsed_1ato 5
4 1 . . . parsed_1ato 5
5 1 . . . parsed_1ato 5
6 1 . . . parsed_1ato 5
7 1 . . . parsed_1ato 5
8 1 . . . parsed_1ato 5
9 1 . . . parsed_1ato 5
10 1 . . . parsed_1ato 5
11 1 . . . parsed_1ato 5
12 1 . . . parsed_1ato 5
13 1 . . . parsed_1ato 5
14 1 . . . parsed_1ato 5
15 1 . . . parsed_1ato 5
16 1 . . . parsed_1ato 5
17 1 . . . parsed_1ato 5
18 1 . . . parsed_1ato 5
19 1 . . . parsed_1ato 5
20 1 . . . parsed_1ato 5
21 1 . . . parsed_1ato 5
22 1 . . . parsed_1ato 5
23 1 . . . parsed_1ato 5
24 1 . . . parsed_1ato 5
25 1 . . . parsed_1ato 5
26 1 . . . parsed_1ato 5
27 1 . . . parsed_1ato 5
28 1 . . . parsed_1ato 5
29 1 . . . parsed_1ato 5
30 1 . . . parsed_1ato 5
31 1 . . . parsed_1ato 5
32 1 . . . parsed_1ato 5
33 1 . . . parsed_1ato 5
34 1 . . . parsed_1ato 5
35 1 . . . parsed_1ato 5
36 1 . . . parsed_1ato 5
37 1 . . . parsed_1ato 5
38 1 . . . parsed_1ato 5
39 1 . . . parsed_1ato 5
40 1 . . . parsed_1ato 5
41 1 . . . parsed_1ato 5
42 1 . . . parsed_1ato 5
43 1 . . . parsed_1ato 5
44 1 . . . parsed_1ato 5
45 1 . . . parsed_1ato 5
46 1 . . . parsed_1ato 5
47 1 . . . parsed_1ato 5
48 1 . . . parsed_1ato 5
49 1 . . . parsed_1ato 5
50 1 . . . parsed_1ato 5
51 1 . . . parsed_1ato 5
52 1 . . . parsed_1ato 5
53 1 . . . parsed_1ato 5
54 1 . . . parsed_1ato 5
55 1 . . . parsed_1ato 5
56 1 . . . parsed_1ato 5
57 1 . . . parsed_1ato 5
58 1 . . . parsed_1ato 5
59 1 . . . parsed_1ato 5
60 1 . . . parsed_1ato 5
61 1 . . . parsed_1ato 5
62 1 . . . parsed_1ato 5
63 1 . . . parsed_1ato 5
64 1 . . . parsed_1ato 5
65 1 . . . parsed_1ato 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 . . . . . . . . . 7 . H5'1 parsed_1ato 5
1 1 1 . . . . . . . . . 7 . H5'2 parsed_1ato 5
1 1 2 . . . . . . . . . 7 . H1' parsed_1ato 5
2 1 1 . . . . . . . . . 7 . H5'1 parsed_1ato 5
2 1 1 . . . . . . . . . 7 . H5'2 parsed_1ato 5
2 1 2 . . . . . . . . . 7 . H6 parsed_1ato 5
3 1 1 . . . . . . . . . 7 . H1' parsed_1ato 5
3 1 2 . . . . . . . . . 7 . H6 parsed_1ato 5
4 1 1 . . . . . . . . . 7 . H2' parsed_1ato 5
4 1 2 . . . . . . . . . 7 . H5 parsed_1ato 5
5 1 1 . . . . . . . . . 7 . H2' parsed_1ato 5
5 1 2 . . . . . . . . . 7 . H1' parsed_1ato 5
6 1 1 . . . . . . . . . 7 . H3' parsed_1ato 5
6 1 2 . . . . . . . . . 7 . H1' parsed_1ato 5
7 1 1 . . . . . . . . . 7 . H4' parsed_1ato 5
7 1 2 . . . . . . . . . 7 . H1' parsed_1ato 5
8 1 1 . . . . . . . . . 7 . H2' parsed_1ato 5
8 1 2 . . . . . . . . . 7 . H6 parsed_1ato 5
9 1 1 . . . . . . . . . 7 . H3' parsed_1ato 5
9 1 2 . . . . . . . . . 7 . H6 parsed_1ato 5
10 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 5
10 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 5
10 1 2 . . . . . . . . . 8 . H1' parsed_1ato 5
11 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 5
11 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 5
11 1 2 . . . . . . . . . 8 . H6 parsed_1ato 5
12 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 5
12 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 5
12 1 2 . . . . . . . . . 8 . H1' parsed_1ato 5
13 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 5
13 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 5
13 1 2 . . . . . . . . . 8 . H5 parsed_1ato 5
14 1 1 . . . . . . . . . 8 . H4' parsed_1ato 5
14 1 2 . . . . . . . . . 8 . H1' parsed_1ato 5
15 1 1 . . . . . . . . . 8 . H1' parsed_1ato 5
15 1 2 . . . . . . . . . 8 . H6 parsed_1ato 5
16 1 1 . . . . . . . . . 8 . H2' parsed_1ato 5
16 1 2 . . . . . . . . . 8 . H1' parsed_1ato 5
17 1 1 . . . . . . . . . 8 . H3' parsed_1ato 5
17 1 2 . . . . . . . . . 8 . H1' parsed_1ato 5
18 1 1 . . . . . . . . . 8 . H2' parsed_1ato 5
18 1 2 . . . . . . . . . 8 . H6 parsed_1ato 5
19 1 1 . . . . . . . . . 8 . H3' parsed_1ato 5
19 1 2 . . . . . . . . . 8 . H6 parsed_1ato 5
20 1 1 . . . . . . . . . 8 . H4' parsed_1ato 5
20 1 2 . . . . . . . . . 8 . H6 parsed_1ato 5
21 1 1 . . . . . . . . . 9 . H4' parsed_1ato 5
21 1 2 . . . . . . . . . 9 . H6 parsed_1ato 5
22 1 1 . . . . . . . . . 9 . H1' parsed_1ato 5
22 1 2 . . . . . . . . . 9 . H6 parsed_1ato 5
23 1 1 . . . . . . . . . 9 . H2' parsed_1ato 5
23 1 2 . . . . . . . . . 9 . H1' parsed_1ato 5
24 1 1 . . . . . . . . . 9 . H2' parsed_1ato 5
24 1 2 . . . . . . . . . 9 . H6 parsed_1ato 5
25 1 1 . . . . . . . . . 9 . H3' parsed_1ato 5
25 1 2 . . . . . . . . . 9 . H6 parsed_1ato 5
26 1 1 . . . . . . . . . 9 . H5'1 parsed_1ato 5
26 1 1 . . . . . . . . . 9 . H5'2 parsed_1ato 5
26 1 2 . . . . . . . . . 9 . H6 parsed_1ato 5
27 1 1 . . . . . . . . . 10 . H5'1 parsed_1ato 5
27 1 1 . . . . . . . . . 10 . H5'2 parsed_1ato 5
27 1 2 . . . . . . . . . 10 . H6 parsed_1ato 5
28 1 1 . . . . . . . . . 10 . H5'1 parsed_1ato 5
28 1 1 . . . . . . . . . 10 . H5'2 parsed_1ato 5
28 1 2 . . . . . . . . . 10 . H1' parsed_1ato 5
29 1 1 . . . . . . . . . 10 . H5'1 parsed_1ato 5
29 1 1 . . . . . . . . . 10 . H5'2 parsed_1ato 5
29 1 2 . . . . . . . . . 10 . H6 parsed_1ato 5
30 1 1 . . . . . . . . . 10 . H1' parsed_1ato 5
30 1 2 . . . . . . . . . 10 . H6 parsed_1ato 5
31 1 1 . . . . . . . . . 10 . H2' parsed_1ato 5
31 1 2 . . . . . . . . . 10 . H1' parsed_1ato 5
32 1 1 . . . . . . . . . 10 . H3' parsed_1ato 5
32 1 2 . . . . . . . . . 10 . H1' parsed_1ato 5
33 1 1 . . . . . . . . . 10 . H2' parsed_1ato 5
33 1 2 . . . . . . . . . 10 . H6 parsed_1ato 5
34 1 1 . . . . . . . . . 10 . H3' parsed_1ato 5
34 1 2 . . . . . . . . . 10 . H6 parsed_1ato 5
35 1 1 . . . . . . . . . 11 . H5'1 parsed_1ato 5
35 1 1 . . . . . . . . . 11 . H5'2 parsed_1ato 5
35 1 2 . . . . . . . . . 11 . H1' parsed_1ato 5
36 1 1 . . . . . . . . . 11 . H5'1 parsed_1ato 5
36 1 1 . . . . . . . . . 11 . H5'2 parsed_1ato 5
36 1 2 . . . . . . . . . 11 . H6 parsed_1ato 5
37 1 1 . . . . . . . . . 11 . H1' parsed_1ato 5
37 1 2 . . . . . . . . . 11 . H6 parsed_1ato 5
38 1 1 . . . . . . . . . 11 . H2' parsed_1ato 5
38 1 2 . . . . . . . . . 11 . H1' parsed_1ato 5
39 1 1 . . . . . . . . . 12 . H1' parsed_1ato 5
39 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
40 1 1 . . . . . . . . . 12 . H2' parsed_1ato 5
40 1 2 . . . . . . . . . 12 . H1' parsed_1ato 5
41 1 1 . . . . . . . . . 12 . H2' parsed_1ato 5
41 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
42 1 1 . . . . . . . . . 12 . H3' parsed_1ato 5
42 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
43 1 1 . . . . . . . . . 12 . H1' parsed_1ato 5
43 1 2 . . . . . . . . . 12 . H3' parsed_1ato 5
44 1 1 . . . . . . . . . 13 . H4' parsed_1ato 5
44 1 2 . . . . . . . . . 13 . H1' parsed_1ato 5
45 1 1 . . . . . . . . . 13 . H1' parsed_1ato 5
45 1 2 . . . . . . . . . 13 . H6 parsed_1ato 5
46 1 1 . . . . . . . . . 13 . H1' parsed_1ato 5
46 1 2 . . . . . . . . . 13 . H6 parsed_1ato 5
47 1 1 . . . . . . . . . 13 . H2' parsed_1ato 5
47 1 2 . . . . . . . . . 13 . H1' parsed_1ato 5
48 1 1 . . . . . . . . . 13 . H3' parsed_1ato 5
48 1 2 . . . . . . . . . 13 . H1' parsed_1ato 5
49 1 1 . . . . . . . . . 13 . H3' parsed_1ato 5
49 1 2 . . . . . . . . . 13 . H5 parsed_1ato 5
50 1 1 . . . . . . . . . 13 . H3' parsed_1ato 5
50 1 2 . . . . . . . . . 13 . H6 parsed_1ato 5
51 1 1 . . . . . . . . . 8 . H4' parsed_1ato 5
51 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
52 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 5
52 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 5
52 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
53 1 1 . . . . . . . . . 8 . H1' parsed_1ato 5
53 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
54 1 1 . . . . . . . . . 8 . H2' parsed_1ato 5
54 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
55 1 1 . . . . . . . . . 8 . H3' parsed_1ato 5
55 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
56 1 1 . . . . . . . . . 7 . H1' parsed_1ato 5
56 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
57 1 1 . . . . . . . . . 7 . H2' parsed_1ato 5
57 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
58 1 1 . . . . . . . . . 7 . H3' parsed_1ato 5
58 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
59 1 1 . . . . . . . . . 7 . H4' parsed_1ato 5
59 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
60 1 1 . . . . . . . . . 7 . H5'1 parsed_1ato 5
60 1 1 . . . . . . . . . 7 . H5'2 parsed_1ato 5
60 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
61 1 1 . . . . . . . . . 9 . H4' parsed_1ato 5
61 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
62 1 1 . . . . . . . . . 9 . H5'1 parsed_1ato 5
62 1 1 . . . . . . . . . 9 . H5'2 parsed_1ato 5
62 1 2 . . . . . . . . . 12 . H8 parsed_1ato 5
63 1 1 . . . . . . . . . 7 . H5 parsed_1ato 5
63 1 2 . . . . . . . . . 6 . H5'1 parsed_1ato 5
64 1 1 . . . . . . . . . 13 . H6 parsed_1ato 5
64 1 2 . . . . . . . . . 14 . H8 parsed_1ato 5
65 1 1 . . . . . . . . . 9 . H6 parsed_1ato 5
65 1 2 . . . . . . . . . 10 . H2' parsed_1ato 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 . . . . . 4.2 2.9 5.0 parsed_1ato 5
2 1 . . . . . 3.5 2.4 4.2 parsed_1ato 5
3 1 . . . . . 3.3 2.3 4.0 parsed_1ato 5
4 1 . . . . . 4.1 2.9 4.9 parsed_1ato 5
5 1 . . . . . 2.7 1.9 3.2 parsed_1ato 5
6 1 . . . . . 3.2 2.2 3.8 parsed_1ato 5
7 1 . . . . . 3.8 2.7 4.6 parsed_1ato 5
8 1 . . . . . 2.7 1.9 3.2 parsed_1ato 5
9 1 . . . . . 2.5 1.7 3.0 parsed_1ato 5
10 1 . . . . . 3.8 2.7 4.6 parsed_1ato 5
11 1 . . . . . 3.2 2.2 3.8 parsed_1ato 5
12 1 . . . . . 4.4 3.1 5.3 parsed_1ato 5
13 1 . . . . . 5.0 3.5 6.0 parsed_1ato 5
14 1 . . . . . 3.1 2.2 3.7 parsed_1ato 5
15 1 . . . . . 3.5 2.4 4.2 parsed_1ato 5
16 1 . . . . . 2.5 1.7 3.0 parsed_1ato 5
17 1 . . . . . 3.6 2.5 4.3 parsed_1ato 5
18 1 . . . . . 2.7 1.9 3.2 parsed_1ato 5
19 1 . . . . . 2.8 2.0 3.4 parsed_1ato 5
20 1 . . . . . 3.7 2.6 4.6 parsed_1ato 5
21 1 . . . . . 3.6 2.4 4.4 parsed_1ato 5
22 1 . . . . . 3.5 2.4 4.2 parsed_1ato 5
23 1 . . . . . 2.5 1.7 3.0 parsed_1ato 5
24 1 . . . . . 3.5 2.4 4.2 parsed_1ato 5
25 1 . . . . . 2.2 1.5 2.6 parsed_1ato 5
26 1 . . . . . 3.6 2.5 4.3 parsed_1ato 5
27 1 . . . . . 3.6 2.5 4.3 parsed_1ato 5
28 1 . . . . . 3.9 2.7 4.7 parsed_1ato 5
29 1 . . . . . 3.6 2.5 4.3 parsed_1ato 5
30 1 . . . . . 3.3 2.3 4.0 parsed_1ato 5
31 1 . . . . . 2.8 2.0 3.4 parsed_1ato 5
32 1 . . . . . 3.7 2.6 4.4 parsed_1ato 5
33 1 . . . . . 2.2 1.5 2.6 parsed_1ato 5
34 1 . . . . . 2.9 2.0 3.5 parsed_1ato 5
35 1 . . . . . 4.7 3.3 5.6 parsed_1ato 5
36 1 . . . . . 3.5 2.6 4.1 parsed_1ato 5
37 1 . . . . . 2.6 1.8 3.1 parsed_1ato 5
38 1 . . . . . 3.0 2.1 3.6 parsed_1ato 5
39 1 . . . . . 3.4 2.4 4.1 parsed_1ato 5
40 1 . . . . . 2.9 2.0 3.5 parsed_1ato 5
41 1 . . . . . 3.9 2.7 4.7 parsed_1ato 5
42 1 . . . . . 4.5 3.1 5.3 parsed_1ato 5
43 1 . . . . . 4.0 2.8 4.8 parsed_1ato 5
44 1 . . . . . 3.8 2.7 4.6 parsed_1ato 5
45 1 . . . . . 4.0 2.8 4.8 parsed_1ato 5
46 1 . . . . . 4.0 2.8 4.8 parsed_1ato 5
47 1 . . . . . 3.2 2.2 3.8 parsed_1ato 5
48 1 . . . . . 3.6 2.5 4.3 parsed_1ato 5
49 1 . . . . . 4.7 3.3 5.6 parsed_1ato 5
50 1 . . . . . 2.8 2.0 3.4 parsed_1ato 5
51 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
52 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
53 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
54 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
55 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
56 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
57 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
58 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
59 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
60 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
61 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
62 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
63 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
64 1 . . . . . 7.0 5.0 97.0 parsed_1ato 5
65 1 . . . . . 7.0 5.0 97.0 parsed_1ato 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 "Toegevoegd 21/10/96" 26 1 26 21 parsed_1ato 5
2 "Verwijderd 2/10/96;" 86 1 86 21 parsed_1ato 5
3 "Veranderd 18/10/96" 100 1 100 20 parsed_1ato 5
4 "Toegevoegd 18/10/96" 105 1 105 21 parsed_1ato 5
5 "Toegevoegd 18/10/96" 110 1 110 21 parsed_1ato 5
6 "Toegevoegd 8/10/96:sl3noe05" 176 1 176 29 parsed_1ato 5
7 "Toegevoegd 8/10/96:sl3noe05" 181 1 181 29 parsed_1ato 5
8 "Added 29/9/96 (estimate):" 195 1 195 28 parsed_1ato 5
9 message=on 217 1 217 18 parsed_1ato 5
10
;
filename sl3_nonoe.dat
Michael Kolk, 1/10/96
;
218 1 219 25 parsed_1ato 5
11 message=off 221 1 221 19 parsed_1ato 5
stop_
save_
save_MR_file_comment_23
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 12
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 23
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on end
set message=off echo=off end
! Planarity restraints for 1-6 and 14-19 of RNA-hairpin sl3.
! Restraints to prevent "buckling" of base pairs.
! filename sl3basevlak.dat
! M.Kolk, 24/9/96
restraints plane
;
save_
save_MR_file_comment_25
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 13
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 25
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
! Dihedral Angle Restraints for the sugars in the loop of
! RNA hairpin sl3
! PHIm=38.6, P=0-36(N-type), P=144-180(S-type)
set message=off end
restraints
dihedral
;
save_
save_CNS/XPLOR_dihedral_26
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_Torsion_angle_constraint_list.ID 7
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 26
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 7 . H1' . 7 . C1' . 7 . C2' . 7 . H2' parsed_1ato 7
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 7 . H2' . 7 . C2' . 7 . C3' . 7 . H3' parsed_1ato 7
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 7 . H3' . 7 . C3' . 7 . C4' . 7 . H4' parsed_1ato 7
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 8 . H1' . 8 . C1' . 8 . C2' . 8 . H2' parsed_1ato 7
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 8 . H2' . 8 . C2' . 8 . C3' . 8 . H3' parsed_1ato 7
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 8 . H3' . 8 . C3' . 8 . C4' . 8 . H4' parsed_1ato 7
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.6 161.2 . . 10 . H1' . 10 . C1' . 10 . C2' . 10 . H2' parsed_1ato 7
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.7 . . 10 . H2' . 10 . C2' . 10 . C3' . 10 . H3' parsed_1ato 7
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -90.0 . . 10 . H3' . 10 . C3' . 10 . C4' . 10 . H4' parsed_1ato 7
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 13 . H1' . 13 . C1' . 13 . C2' . 13 . H2' parsed_1ato 7
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 43.3 . . 13 . H2' . 13 . C2' . 13 . C3' . 13 . H3' parsed_1ato 7
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -158.0 . . 13 . H3' . 13 . C3' . 13 . C4' . 13 . H4' parsed_1ato 7
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
;
10-8-07: puck on for every residue to obtain correct puck.params
assign (resid 9 and name H1')
(resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name H2')
1.000 99.2 10.0 2
assign (resid 9 and name H2')
(resid 9 and name C2')
(resid 9 and name C3')
(resid 9 and name H3')
1.000 39.4 3.9 2
assign (resid 9 and name H3')
(resid 9 and name C3')
(resid 9 and name C4')
(resid 9 and name H4')
1.000 -162.0 4.0 2
;
39 1 57 32 parsed_1ato 7
2
;
assign (resid 11 and name H1')
(resid 11 and name C1')
(resid 11 and name C2')
(resid 11 and name H2')
1.000 157.4 3.8 2
assign (resid 11 and name H2')
(resid 11 and name C2')
(resid 11 and name C3')
(resid 11 and name H3')
1.000 -34.6 3.9 2
assign (resid 11 and name H3')
(resid 11 and name C3')
(resid 11 and name C4')
(resid 11 and name H4')
1.000 -100.5 10.5 2
assign (resid 12 and name H1')
(resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name H2')
1.000 157.4 3.8 2
assign (resid 12 and name H2')
(resid 12 and name C2')
(resid 12 and name C3')
(resid 12 and name H3')
1.000 -34.6 3.9 2
assign (resid 12 and name H3')
(resid 12 and name C3')
(resid 12 and name C4')
(resid 12 and name H4')
1.000 -100.5 10.5 2
;
80 1 116 31 parsed_1ato 7
stop_
save_
save_MR_file_comment_27
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 14
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 27
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on end
! Dihedral Angle Restraints for the z angle in the stem of
! RNA hairpin SL3.
! filename: sl3_zeta2.dat (1/10/96)
set message=off echo=off end
restraints
dihedral
;
save_
save_CNS/XPLOR_dihedral_28
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ato
_Torsion_angle_constraint_list.ID 8
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 28
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . . 6 . C3' . 6 . O3' . 7 . P . 7 . O5' parsed_1ato 8
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . . 7 . C3' . 7 . O3' . 8 . P . 8 . O5' parsed_1ato 8
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . . 8 . C3' . 8 . O3' . 9 . P . 9 . O5' parsed_1ato 8
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 "zeta hoek" 1 1 1 12 parsed_1ato 8
2
;
assign (resid 10 and name C3') (resid 10 and name O3')
(resid 11 and name P) (resid 11 and name O5')
1.000 -71 30 2
assign (resid 11 and name C3') (resid 11 and name O3')
(resid 12 and name P) (resid 12 and name O5')
1.000 -71 30 2
;
15 1 21 34 parsed_1ato 8
stop_
save_
save_MR_file_comment_29
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 15
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 29
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
set message=off echo=off end
! h-bruggen voor de stam van RNA hairpin sl3
! afstanden voor de GC waterstofbruggen uit Quanta, van Hans Hoppe.
! afstanden voor de AU waterstofbruggen uit Quanta, zelf opgemeten.
! in een AT basepaar. PS Dit basepaar was niet vlak in Quanta (in B-
! DNA zijn de baseparen wel vlak)
! In Xplor NOE Avaraging R-6 ******************!!!!!!!!!
;
save_
save_CNS/XPLOR_distance_constraints_30
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ato
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 30
_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_1ato 6
2 1 . . . parsed_1ato 6
3 1 . . . parsed_1ato 6
4 1 . . . parsed_1ato 6
5 1 . . . parsed_1ato 6
6 1 . . . parsed_1ato 6
7 1 . . . parsed_1ato 6
8 1 . . . parsed_1ato 6
9 1 . . . parsed_1ato 6
10 1 . . . parsed_1ato 6
11 1 . . . parsed_1ato 6
12 1 . . . parsed_1ato 6
13 1 . . . parsed_1ato 6
14 1 . . . parsed_1ato 6
15 1 . . . parsed_1ato 6
16 1 . . . parsed_1ato 6
17 1 . . . parsed_1ato 6
18 1 . . . parsed_1ato 6
19 1 . . . parsed_1ato 6
20 1 . . . parsed_1ato 6
21 1 . . . parsed_1ato 6
22 1 . . . parsed_1ato 6
23 1 . . . parsed_1ato 6
24 1 . . . parsed_1ato 6
25 1 . . . parsed_1ato 6
26 1 . . . parsed_1ato 6
27 1 . . . parsed_1ato 6
28 1 . . . parsed_1ato 6
29 1 . . . parsed_1ato 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 . . . . . . . . . 1 . O6 parsed_1ato 6
1 1 2 . . . . . . . . . 19 . H41 parsed_1ato 6
1 1 2 . . . . . . . . . 19 . H42 parsed_1ato 6
2 1 1 . . . . . . . . . 1 . H1 parsed_1ato 6
2 1 2 . . . . . . . . . 19 . N3 parsed_1ato 6
3 1 1 . . . . . . . . . 1 . H21 parsed_1ato 6
3 1 1 . . . . . . . . . 1 . H22 parsed_1ato 6
3 1 2 . . . . . . . . . 19 . O2 parsed_1ato 6
4 1 1 . . . . . . . . . 1 . N2 parsed_1ato 6
4 1 2 . . . . . . . . . 19 . O2 parsed_1ato 6
5 1 1 . . . . . . . . . 1 . C1' parsed_1ato 6
5 1 2 . . . . . . . . . 19 . C1' parsed_1ato 6
6 1 1 . . . . . . . . . 2 . O6 parsed_1ato 6
6 1 2 . . . . . . . . . 18 . H41 parsed_1ato 6
6 1 2 . . . . . . . . . 18 . H42 parsed_1ato 6
7 1 1 . . . . . . . . . 2 . H1 parsed_1ato 6
7 1 2 . . . . . . . . . 18 . N3 parsed_1ato 6
8 1 1 . . . . . . . . . 2 . H21 parsed_1ato 6
8 1 1 . . . . . . . . . 2 . H22 parsed_1ato 6
8 1 2 . . . . . . . . . 18 . O2 parsed_1ato 6
9 1 1 . . . . . . . . . 2 . N2 parsed_1ato 6
9 1 2 . . . . . . . . . 18 . O2 parsed_1ato 6
10 1 1 . . . . . . . . . 2 . C1' parsed_1ato 6
10 1 2 . . . . . . . . . 18 . C1' parsed_1ato 6
11 1 1 . . . . . . . . . 17 . O6 parsed_1ato 6
11 1 2 . . . . . . . . . 3 . H41 parsed_1ato 6
11 1 2 . . . . . . . . . 3 . H42 parsed_1ato 6
12 1 1 . . . . . . . . . 17 . H1 parsed_1ato 6
12 1 2 . . . . . . . . . 3 . N3 parsed_1ato 6
13 1 1 . . . . . . . . . 17 . H21 parsed_1ato 6
13 1 1 . . . . . . . . . 17 . H22 parsed_1ato 6
13 1 2 . . . . . . . . . 3 . O2 parsed_1ato 6
14 1 1 . . . . . . . . . 17 . N2 parsed_1ato 6
14 1 2 . . . . . . . . . 3 . O2 parsed_1ato 6
15 1 1 . . . . . . . . . 17 . C1' parsed_1ato 6
15 1 2 . . . . . . . . . 3 . C1' parsed_1ato 6
16 1 1 . . . . . . . . . 16 . O4 parsed_1ato 6
16 1 2 . . . . . . . . . 4 . H61 parsed_1ato 6
16 1 2 . . . . . . . . . 4 . H62 parsed_1ato 6
17 1 1 . . . . . . . . . 16 . N3 parsed_1ato 6
17 1 2 . . . . . . . . . 4 . N1 parsed_1ato 6
18 1 1 . . . . . . . . . 16 . O2 parsed_1ato 6
18 1 2 . . . . . . . . . 4 . C2 parsed_1ato 6
19 1 1 . . . . . . . . . 16 . C1' parsed_1ato 6
19 1 2 . . . . . . . . . 4 . C1' parsed_1ato 6
20 1 1 . . . . . . . . . 15 . O6 parsed_1ato 6
20 1 2 . . . . . . . . . 5 . H41 parsed_1ato 6
20 1 2 . . . . . . . . . 5 . H42 parsed_1ato 6
21 1 1 . . . . . . . . . 15 . H1 parsed_1ato 6
21 1 2 . . . . . . . . . 5 . N3 parsed_1ato 6
22 1 1 . . . . . . . . . 15 . H21 parsed_1ato 6
22 1 1 . . . . . . . . . 15 . H22 parsed_1ato 6
22 1 2 . . . . . . . . . 5 . O2 parsed_1ato 6
23 1 1 . . . . . . . . . 15 . N2 parsed_1ato 6
23 1 2 . . . . . . . . . 5 . O2 parsed_1ato 6
24 1 1 . . . . . . . . . 15 . C1' parsed_1ato 6
24 1 2 . . . . . . . . . 5 . C1' parsed_1ato 6
25 1 1 . . . . . . . . . 14 . O6 parsed_1ato 6
25 1 2 . . . . . . . . . 6 . H41 parsed_1ato 6
25 1 2 . . . . . . . . . 6 . H42 parsed_1ato 6
26 1 1 . . . . . . . . . 14 . H1 parsed_1ato 6
26 1 2 . . . . . . . . . 6 . N3 parsed_1ato 6
27 1 1 . . . . . . . . . 14 . H21 parsed_1ato 6
27 1 1 . . . . . . . . . 14 . H22 parsed_1ato 6
27 1 2 . . . . . . . . . 6 . O2 parsed_1ato 6
28 1 1 . . . . . . . . . 14 . N2 parsed_1ato 6
28 1 2 . . . . . . . . . 6 . O2 parsed_1ato 6
29 1 1 . . . . . . . . . 14 . C1' parsed_1ato 6
29 1 2 . . . . . . . . . 6 . C1' parsed_1ato 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 . . . . . 1.83 1.73 1.93 parsed_1ato 6
2 1 . . . . . 1.85 1.75 1.95 parsed_1ato 6
3 1 . . . . . 1.92 1.82 2.02 parsed_1ato 6
4 1 . . . . . 2.88 2.68 3.08 parsed_1ato 6
5 1 . . . . . 10.73 10.53 10.93 parsed_1ato 6
6 1 . . . . . 1.83 1.73 1.93 parsed_1ato 6
7 1 . . . . . 1.85 1.75 1.95 parsed_1ato 6
8 1 . . . . . 1.92 1.82 2.02 parsed_1ato 6
9 1 . . . . . 2.88 2.68 3.08 parsed_1ato 6
10 1 . . . . . 10.73 10.53 10.93 parsed_1ato 6
11 1 . . . . . 1.83 1.73 1.93 parsed_1ato 6
12 1 . . . . . 1.85 1.75 1.95 parsed_1ato 6
13 1 . . . . . 1.92 1.82 2.02 parsed_1ato 6
14 1 . . . . . 2.88 2.68 3.08 parsed_1ato 6
15 1 . . . . . 10.73 10.53 10.93 parsed_1ato 6
16 1 . . . . . 1.91 1.81 2.01 parsed_1ato 6
17 1 . . . . . 2.90 2.80 3.00 parsed_1ato 6
18 1 . . . . . 3.75 3.55 3.95 parsed_1ato 6
19 1 . . . . . 10.73 10.53 10.93 parsed_1ato 6
20 1 . . . . . 1.83 1.73 1.93 parsed_1ato 6
21 1 . . . . . 1.85 1.75 1.95 parsed_1ato 6
22 1 . . . . . 1.92 1.82 2.02 parsed_1ato 6
23 1 . . . . . 2.88 2.68 3.08 parsed_1ato 6
24 1 . . . . . 10.73 10.53 10.93 parsed_1ato 6
25 1 . . . . . 1.83 1.73 1.93 parsed_1ato 6
26 1 . . . . . 1.85 1.75 1.95 parsed_1ato 6
27 1 . . . . . 1.92 1.82 2.02 parsed_1ato 6
28 1 . . . . . 2.88 2.68 3.08 parsed_1ato 6
29 1 . . . . . 10.73 10.53 10.93 parsed_1ato 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 G1-C19 1 1 1 9 parsed_1ato 6
2 G2-C18 23 1 23 9 parsed_1ato 6
3 C3-G17 44 1 44 9 parsed_1ato 6
4 A4-U16 65 1 65 8 parsed_1ato 6
5 C5-G15 83 1 83 9 parsed_1ato 6
6 C6-G14 105 1 105 9 parsed_1ato 6
stop_
save_
save_MR_file_comment_31
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ato
_Org_constr_file_comment.ID 16
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 31
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=off end
;
save_
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