NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
30596 |
1d0t   |
cing | 2-parsed | STAR | dihedral angle | 155 |
data_1d0t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d0t
_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_1d0t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d0t
_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 1d0t "Master copy" parsed_1d0t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d0t
_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 1d0t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d0t 1
1 1d0t.mr . . XPLOR/CNS 2 distance NOE simple 313 parsed_1d0t 1
1 1d0t.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 42 parsed_1d0t 1
1 1d0t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 155 parsed_1d0t 1
1 1d0t.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d0t 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1d0t
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 1 . O4' R17S 1 . C4' R17S 1 . C3' R17S 1 . C2' parsed_1d0t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 1 . C4' R17S 1 . C3' R17S 1 . C2' R17S 1 . C1' parsed_1d0t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 1 . C3' R17S 1 . C2' R17S 1 . C1' R17S 1 . O4' parsed_1d0t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 1 . C2' R17S 1 . C1' R17S 1 . O4' R17S 1 . C4' parsed_1d0t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 1 . C1' R17S 1 . O4' R17S 1 . C4' R17S 1 . C3' parsed_1d0t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 2 . O4' R17S 2 . C4' R17S 2 . C3' R17S 2 . C2' parsed_1d0t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 2 . C4' R17S 2 . C3' R17S 2 . C2' R17S 2 . C1' parsed_1d0t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 2 . C3' R17S 2 . C2' R17S 2 . C1' R17S 2 . O4' parsed_1d0t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 2 . C2' R17S 2 . C1' R17S 2 . O4' R17S 2 . C4' parsed_1d0t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 2 . C1' R17S 2 . O4' R17S 2 . C4' R17S 2 . C3' parsed_1d0t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 3 . O4' R17S 3 . C4' R17S 3 . C3' R17S 3 . C2' parsed_1d0t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 3 . C4' R17S 3 . C3' R17S 3 . C2' R17S 3 . C1' parsed_1d0t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 3 . C3' R17S 3 . C2' R17S 3 . C1' R17S 3 . O4' parsed_1d0t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 3 . C2' R17S 3 . C1' R17S 3 . O4' R17S 3 . C4' parsed_1d0t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 3 . C1' R17S 3 . O4' R17S 3 . C4' R17S 3 . C3' parsed_1d0t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 4 . O4' R17S 4 . C4' R17S 4 . C3' R17S 4 . C2' parsed_1d0t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 4 . C4' R17S 4 . C3' R17S 4 . C2' R17S 4 . C1' parsed_1d0t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 4 . C3' R17S 4 . C2' R17S 4 . C1' R17S 4 . O4' parsed_1d0t 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 4 . C2' R17S 4 . C1' R17S 4 . O4' R17S 4 . C4' parsed_1d0t 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 4 . C1' R17S 4 . O4' R17S 4 . C4' R17S 4 . C3' parsed_1d0t 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 5 . O4' R17S 5 . C4' R17S 5 . C3' R17S 5 . C2' parsed_1d0t 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 5 . C4' R17S 5 . C3' R17S 5 . C2' R17S 5 . C1' parsed_1d0t 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 5 . C3' R17S 5 . C2' R17S 5 . C1' R17S 5 . O4' parsed_1d0t 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 5 . C2' R17S 5 . C1' R17S 5 . O4' R17S 5 . C4' parsed_1d0t 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 5 . C1' R17S 5 . O4' R17S 5 . C4' R17S 5 . C3' parsed_1d0t 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 6 . O4' R17S 6 . C4' R17S 6 . C3' R17S 6 . C2' parsed_1d0t 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 6 . C4' R17S 6 . C3' R17S 6 . C2' R17S 6 . C1' parsed_1d0t 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 6 . C3' R17S 6 . C2' R17S 6 . C1' R17S 6 . O4' parsed_1d0t 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 6 . C2' R17S 6 . C1' R17S 6 . O4' R17S 6 . C4' parsed_1d0t 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 6 . C1' R17S 6 . O4' R17S 6 . C4' R17S 6 . C3' parsed_1d0t 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.3 36.3 . R17S 7 . O4' R17S 7 . C4' R17S 7 . C3' R17S 7 . C2' parsed_1d0t 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -31.9 . R17S 7 . C4' R17S 7 . C3' R17S 7 . C2' R17S 7 . C1' parsed_1d0t 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.9 27.9 . R17S 7 . C3' R17S 7 . C2' R17S 7 . C1' R17S 7 . O4' parsed_1d0t 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.2 -1.2 . R17S 7 . C2' R17S 7 . C1' R17S 7 . O4' R17S 7 . C4' parsed_1d0t 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.3 -15.3 . R17S 7 . C1' R17S 7 . O4' R17S 7 . C4' R17S 7 . C3' parsed_1d0t 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 8 . O4' R17S 8 . C4' R17S 8 . C3' R17S 8 . C2' parsed_1d0t 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 8 . C4' R17S 8 . C3' R17S 8 . C2' R17S 8 . C1' parsed_1d0t 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 8 . C3' R17S 8 . C2' R17S 8 . C1' R17S 8 . O4' parsed_1d0t 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 8 . C2' R17S 8 . C1' R17S 8 . O4' R17S 8 . C4' parsed_1d0t 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 8 . C1' R17S 8 . O4' R17S 8 . C4' R17S 8 . C3' parsed_1d0t 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 9 . O4' R17S 9 . C4' R17S 9 . C3' R17S 9 . C2' parsed_1d0t 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 9 . C4' R17S 9 . C3' R17S 9 . C2' R17S 9 . C1' parsed_1d0t 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 9 . C3' R17S 9 . C2' R17S 9 . C1' R17S 9 . O4' parsed_1d0t 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 9 . C2' R17S 9 . C1' R17S 9 . O4' R17S 9 . C4' parsed_1d0t 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 9 . C1' R17S 9 . O4' R17S 9 . C4' R17S 9 . C3' parsed_1d0t 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 10 . O4' R17S 10 . C4' R17S 10 . C3' R17S 10 . C2' parsed_1d0t 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 10 . C4' R17S 10 . C3' R17S 10 . C2' R17S 10 . C1' parsed_1d0t 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 10 . C3' R17S 10 . C2' R17S 10 . C1' R17S 10 . O4' parsed_1d0t 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 10 . C2' R17S 10 . C1' R17S 10 . O4' R17S 10 . C4' parsed_1d0t 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 10 . C1' R17S 10 . O4' R17S 10 . C4' R17S 10 . C3' parsed_1d0t 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.3 36.3 . R17S 11 . O4' R17S 11 . C4' R17S 11 . C3' R17S 11 . C2' parsed_1d0t 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -31.9 . R17S 11 . C4' R17S 11 . C3' R17S 11 . C2' R17S 11 . C1' parsed_1d0t 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.9 27.9 . R17S 11 . C3' R17S 11 . C2' R17S 11 . C1' R17S 11 . O4' parsed_1d0t 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.2 -1.2 . R17S 11 . C2' R17S 11 . C1' R17S 11 . O4' R17S 11 . C4' parsed_1d0t 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.3 -15.3 . R17S 11 . C1' R17S 11 . O4' R17S 11 . C4' R17S 11 . C3' parsed_1d0t 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.3 36.3 . R17S 12 . O4' R17S 12 . C4' R17S 12 . C3' R17S 12 . C2' parsed_1d0t 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 -31.9 . R17S 12 . C4' R17S 12 . C3' R17S 12 . C2' R17S 12 . C1' parsed_1d0t 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.9 27.9 . R17S 12 . C3' R17S 12 . C2' R17S 12 . C1' R17S 12 . O4' parsed_1d0t 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.2 -1.2 . R17S 12 . C2' R17S 12 . C1' R17S 12 . O4' R17S 12 . C4' parsed_1d0t 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.3 -15.3 . R17S 12 . C1' R17S 12 . O4' R17S 12 . C4' R17S 12 . C3' parsed_1d0t 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.5 36.5 . R17S 13 . O4' R17S 13 . C4' R17S 13 . C3' R17S 13 . C2' parsed_1d0t 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.8 40.2 . R17S 13 . C4' R17S 13 . C3' R17S 13 . C2' R17S 13 . C1' parsed_1d0t 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 28.5 . R17S 13 . C3' R17S 13 . C2' R17S 13 . C1' R17S 13 . O4' parsed_1d0t 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.4 6.6 . R17S 13 . C2' R17S 13 . C1' R17S 13 . O4' R17S 13 . C4' parsed_1d0t 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.8 24.2 . R17S 13 . C1' R17S 13 . O4' R17S 13 . C4' R17S 13 . C3' parsed_1d0t 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 14 . O4' R17S 14 . C4' R17S 14 . C3' R17S 14 . C2' parsed_1d0t 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 14 . C4' R17S 14 . C3' R17S 14 . C2' R17S 14 . C1' parsed_1d0t 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 14 . C3' R17S 14 . C2' R17S 14 . C1' R17S 14 . O4' parsed_1d0t 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 14 . C2' R17S 14 . C1' R17S 14 . O4' R17S 14 . C4' parsed_1d0t 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 14 . C1' R17S 14 . O4' R17S 14 . C4' R17S 14 . C3' parsed_1d0t 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 15 . O4' R17S 15 . C4' R17S 15 . C3' R17S 15 . C2' parsed_1d0t 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 15 . C4' R17S 15 . C3' R17S 15 . C2' R17S 15 . C1' parsed_1d0t 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 15 . C3' R17S 15 . C2' R17S 15 . C1' R17S 15 . O4' parsed_1d0t 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 15 . C2' R17S 15 . C1' R17S 15 . O4' R17S 15 . C4' parsed_1d0t 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 15 . C1' R17S 15 . O4' R17S 15 . C4' R17S 15 . C3' parsed_1d0t 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 16 . O4' R17S 16 . C4' R17S 16 . C3' R17S 16 . C2' parsed_1d0t 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 16 . C4' R17S 16 . C3' R17S 16 . C2' R17S 16 . C1' parsed_1d0t 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 16 . C3' R17S 16 . C2' R17S 16 . C1' R17S 16 . O4' parsed_1d0t 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 16 . C2' R17S 16 . C1' R17S 16 . O4' R17S 16 . C4' parsed_1d0t 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 16 . C1' R17S 16 . O4' R17S 16 . C4' R17S 16 . C3' parsed_1d0t 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 17 . O4' R17S 17 . C4' R17S 17 . C3' R17S 17 . C2' parsed_1d0t 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 17 . C4' R17S 17 . C3' R17S 17 . C2' R17S 17 . C1' parsed_1d0t 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 17 . C3' R17S 17 . C2' R17S 17 . C1' R17S 17 . O4' parsed_1d0t 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 17 . C2' R17S 17 . C1' R17S 17 . O4' R17S 17 . C4' parsed_1d0t 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 17 . C1' R17S 17 . O4' R17S 17 . C4' R17S 17 . C3' parsed_1d0t 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 18 . O4' R17S 18 . C4' R17S 18 . C3' R17S 18 . C2' parsed_1d0t 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 18 . C4' R17S 18 . C3' R17S 18 . C2' R17S 18 . C1' parsed_1d0t 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 18 . C3' R17S 18 . C2' R17S 18 . C1' R17S 18 . O4' parsed_1d0t 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 18 . C2' R17S 18 . C1' R17S 18 . O4' R17S 18 . C4' parsed_1d0t 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 18 . C1' R17S 18 . O4' R17S 18 . C4' R17S 18 . C3' parsed_1d0t 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 19 . O4' R17S 19 . C4' R17S 19 . C3' R17S 19 . C2' parsed_1d0t 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 19 . C4' R17S 19 . C3' R17S 19 . C2' R17S 19 . C1' parsed_1d0t 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 19 . C3' R17S 19 . C2' R17S 19 . C1' R17S 19 . O4' parsed_1d0t 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 19 . C2' R17S 19 . C1' R17S 19 . O4' R17S 19 . C4' parsed_1d0t 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 19 . C1' R17S 19 . O4' R17S 19 . C4' R17S 19 . C3' parsed_1d0t 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 20 . O4' R17S 20 . C4' R17S 20 . C3' R17S 20 . C2' parsed_1d0t 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 20 . C4' R17S 20 . C3' R17S 20 . C2' R17S 20 . C1' parsed_1d0t 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 20 . C3' R17S 20 . C2' R17S 20 . C1' R17S 20 . O4' parsed_1d0t 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 20 . C2' R17S 20 . C1' R17S 20 . O4' R17S 20 . C4' parsed_1d0t 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 20 . C1' R17S 20 . O4' R17S 20 . C4' R17S 20 . C3' parsed_1d0t 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.2 -33.2 . R17S 21 . O4' R17S 21 . C4' R17S 21 . C3' R17S 21 . C2' parsed_1d0t 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.3 40.3 . R17S 21 . C4' R17S 21 . C3' R17S 21 . C2' R17S 21 . C1' parsed_1d0t 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.8 -22.8 . R17S 21 . C3' R17S 21 . C2' R17S 21 . C1' R17S 21 . O4' parsed_1d0t 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.4 6.4 . R17S 21 . C2' R17S 21 . C1' R17S 21 . O4' R17S 21 . C4' parsed_1d0t 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.7 23.7 . R17S 21 . C1' R17S 21 . O4' R17S 21 . C4' R17S 21 . C3' parsed_1d0t 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 2 . P R17S 2 . O5' R17S 2 . C5' R17S 2 . C4' parsed_1d0t 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 3 . P R17S 3 . O5' R17S 3 . C5' R17S 3 . C4' parsed_1d0t 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 15 . P R17S 15 . O5' R17S 15 . C5' R17S 15 . C4' parsed_1d0t 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 16 . P R17S 16 . O5' R17S 16 . C5' R17S 16 . C4' parsed_1d0t 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 19 . P R17S 19 . O5' R17S 19 . C5' R17S 19 . C4' parsed_1d0t 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 20 . P R17S 20 . O5' R17S 20 . C5' R17S 20 . C4' parsed_1d0t 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . R17S 21 . P R17S 21 . O5' R17S 21 . C5' R17S 21 . C4' parsed_1d0t 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . R17S 5 . O5' R17S 5 . C5' R17S 5 . C4' R17S 5 . C3' parsed_1d0t 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 1 . C4' R17S 1 . C3' R17S 1 . O3' R17S 2 . P parsed_1d0t 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 2 . C4' R17S 2 . C3' R17S 2 . O3' R17S 3 . P parsed_1d0t 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 3 . C4' R17S 3 . C3' R17S 3 . O3' R17S 4 . P parsed_1d0t 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 4 . C4' R17S 4 . C3' R17S 4 . O3' R17S 5 . P parsed_1d0t 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 5 . C4' R17S 5 . C3' R17S 5 . O3' R17S 6 . P parsed_1d0t 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 6 . C4' R17S 6 . C3' R17S 6 . O3' R17S 7 . P parsed_1d0t 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 7 . C4' R17S 7 . C3' R17S 7 . O3' R17S 8 . P parsed_1d0t 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 8 . C4' R17S 8 . C3' R17S 8 . O3' R17S 9 . P parsed_1d0t 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 9 . C4' R17S 9 . C3' R17S 9 . O3' R17S 10 . P parsed_1d0t 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 10 . C4' R17S 10 . C3' R17S 10 . O3' R17S 11 . P parsed_1d0t 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 11 . C4' R17S 11 . C3' R17S 11 . O3' R17S 12 . P parsed_1d0t 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -75.0 . R17S 12 . C4' R17S 12 . C3' R17S 12 . O3' R17S 13 . P parsed_1d0t 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 13 . C4' R17S 13 . C3' R17S 13 . O3' R17S 14 . P parsed_1d0t 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 14 . C4' R17S 14 . C3' R17S 14 . O3' R17S 15 . P parsed_1d0t 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 15 . C4' R17S 15 . C3' R17S 15 . O3' R17S 16 . P parsed_1d0t 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 16 . C4' R17S 16 . C3' R17S 16 . O3' R17S 17 . P parsed_1d0t 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 17 . C4' R17S 17 . C3' R17S 17 . O3' R17S 18 . P parsed_1d0t 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . R17S 18 . C4' R17S 18 . C3' R17S 18 . O3' R17S 19 . P parsed_1d0t 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 19 . C4' R17S 19 . C3' R17S 19 . O3' R17S 20 . P parsed_1d0t 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -125.0 . R17S 20 . C4' R17S 20 . C3' R17S 20 . O3' R17S 21 . P parsed_1d0t 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 1 . O3' R17S 2 . P R17S 2 . O5' R17S 2 . C5' parsed_1d0t 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 2 . O3' R17S 3 . P R17S 3 . O5' R17S 3 . C5' parsed_1d0t 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 3 . O3' R17S 4 . P R17S 4 . O5' R17S 4 . C5' parsed_1d0t 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 4 . O3' R17S 5 . P R17S 5 . O5' R17S 5 . C5' parsed_1d0t 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 5 . O3' R17S 6 . P R17S 6 . O5' R17S 6 . C5' parsed_1d0t 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 8 . O3' R17S 9 . P R17S 9 . O5' R17S 9 . C5' parsed_1d0t 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 14 . O3' R17S 15 . P R17S 15 . O5' R17S 15 . C5' parsed_1d0t 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 17 . O3' R17S 18 . P R17S 18 . O5' R17S 18 . C5' parsed_1d0t 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 18 . O3' R17S 19 . P R17S 19 . O5' R17S 19 . C5' parsed_1d0t 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 19 . O3' R17S 20 . P R17S 20 . O5' R17S 20 . C5' parsed_1d0t 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 20 . O3' R17S 21 . P R17S 21 . O5' R17S 21 . C5' parsed_1d0t 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 1 . C3' R17S 1 . O3' R17S 2 . P R17S 2 . O5' parsed_1d0t 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 2 . C3' R17S 2 . O3' R17S 3 . P R17S 3 . O5' parsed_1d0t 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 3 . C3' R17S 3 . O3' R17S 4 . P R17S 4 . O5' parsed_1d0t 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 4 . C3' R17S 4 . O3' R17S 5 . P R17S 5 . O5' parsed_1d0t 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 5 . C3' R17S 5 . O3' R17S 6 . P R17S 6 . O5' parsed_1d0t 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 8 . C3' R17S 8 . O3' R17S 9 . P R17S 9 . O5' parsed_1d0t 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 14 . C3' R17S 14 . O3' R17S 15 . P R17S 15 . O5' parsed_1d0t 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 17 . C3' R17S 17 . O3' R17S 18 . P R17S 18 . O5' parsed_1d0t 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 18 . C3' R17S 18 . O3' R17S 19 . P R17S 19 . O5' parsed_1d0t 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 19 . C3' R17S 19 . O3' R17S 20 . P R17S 20 . O5' parsed_1d0t 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . R17S 20 . C3' R17S 20 . O3' R17S 21 . P R17S 21 . O5' parsed_1d0t 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
;
********************************************************************
sugar pucker constraints (A7 is c2'-endo)
********************************************************************
G1 - 3' endo
;
1 1 8 3 parsed_1d0t 1
2 "G2 - 3' endo" 29 1 31 3 parsed_1d0t 1
3 "G3 - 3' endo" 52 1 54 3 parsed_1d0t 1
4 "A4 - 3' endo" 75 1 77 3 parsed_1d0t 1
5 "U5 - 3' endo" 98 1 100 3 parsed_1d0t 1
6 "C6 - 3' endo" 121 1 123 3 parsed_1d0t 1
7 "A7 - exchanging but 2'-endo here" 144 1 146 3 parsed_1d0t 1
8 "C8 - 3' endo" 167 1 169 3 parsed_1d0t 1
9 "C9 - 3' endo" 190 1 192 3 parsed_1d0t 1
10 "A10 - 3' endo" 213 1 215 3 parsed_1d0t 1
11 "U11 - 2' endo" 236 1 238 3 parsed_1d0t 1
12 "U12 - 2' endo" 259 1 261 3 parsed_1d0t 1
13 "A13 - exchanging" 282 1 284 3 parsed_1d0t 1
14 "G14 - 3' endo" 305 1 307 3 parsed_1d0t 1
15 "G15 - 3' endo" 328 1 330 3 parsed_1d0t 1
16 "G16 - 3' endo" 351 1 353 3 parsed_1d0t 1
17 "A17 - 3' endo" 374 1 376 3 parsed_1d0t 1
18 "U18 - 3' endo" 397 1 399 3 parsed_1d0t 1
19 "C19 - 3' endo" 420 1 422 3 parsed_1d0t 1
20 "U20 - 3' endo" 443 1 445 3 parsed_1d0t 1
21 "C21 - 3' endo (major conformation)" 466 1 468 3 parsed_1d0t 1
22
;
backbone constraints for the thio-R17 hairpin
****************************************************************************
beta
****************************************************************************
G1 - no 5' phosphate
G2 (definitely no H5'/H5'' peak in HetCor 120)
;
489 1 502 3 parsed_1d0t 1
23 "G3 (definitely no H5'/H5'' peak in HetCor 120)" 507 1 509 3 parsed_1d0t 1
24
;
A4 ?
U5 (H5' is overlapped in HetCor 120)
C6 (H5' is overlapped in HetCor 120)
A7 (definite H5',H5'' peaks in HetCor 120)
C8 (definite of H5'/H5'' peak in HetCor 120)
C9 (weak H5' peak in HetCor 120)
A10 (can *barely* make out H5'/H5'' peaks in noise of HetCor 120)
U11 (definite H5' peak in HetCor 120)
U12 (strong H5'/H5' peak in HetCor 120)
A13 (definite H5',H5'' peaks in HetCor 120)
G14 (definite H5',H5'' peaks in HetCor 120)
G15 (definitely no H5'/H5'' peak in HetCor 120)
;
514 1 538 3 parsed_1d0t 1
25 "G16 (definitely no H5'/H5'' peak in HetCor 120)" 543 1 545 3 parsed_1d0t 1
26
;
A17 (definite H5' peak in HetCor 120)
U18 (H5' peak is overlapped in HetCor 120)
C19 (definitely no H5'/H5'' peak in HetCor 120)
;
550 1 556 3 parsed_1d0t 1
27 "U20 (definitely no H5'/H5'' peak in HetCor 120)" 561 1 563 3 parsed_1d0t 1
28 "C21 (definitely no H5'/H5'' peak in HetCor 120, P-C4' 9-12 Hz)" 568 1 570 3 parsed_1d0t 1
29
;
****************************************************************************
gamma
****************************************************************************
G1 (doesn't really matter)
G2 ?
G3 ?
A4 ?
U5 (definitely no H4'-H5'/H5'' peaks in DQF-COSY)
;
575 1 592 3 parsed_1d0t 1
30
;
C6 (definitely no H4'-H5'/H5'' peaks in DQF-COSY,
but unequal H4'-H5'/H5" peaks in 80 ms 3D NOESY)
A7 ?
C8 ?
C9 ?
A10 ?
U11 (weak H4'-H5' peak in DQF-COSY,
unequal H4'-H5'/H5" peaks in 80 ms 3D NOESY)
U12 (definite H4'-H5'/H5'' peak 6-7 Hz in DQF-COSY)
A13 (definite H4'-H5'' peak 5-6 Hz in DQF-COSY)
G14 (definitely no H4'-H5'/H5'' peaks in DQF-COSY,
but unequal H4'-H5'/H5" peaks in 80 ms 3D NOESY)
G15 ?
G16 ?
A17 ?
U18 ?
C19 ?
U20 ?
C21 ?
****************************************************************************
epsilon
****************************************************************************
G1 (trans)
;
597 1 641 3 parsed_1d0t 1
31 "G2 (trans)" 646 1 648 3 parsed_1d0t 1
32 "G3 (unsure)" 653 1 655 3 parsed_1d0t 1
33 "A4 (unsure)" 660 1 662 3 parsed_1d0t 1
34 "U5 (trans)" 667 1 669 3 parsed_1d0t 1
35 "C6 (trans by C2'-P, but C4'-P... ?)" 674 1 676 3 parsed_1d0t 1
36 "A7 (unsure)" 681 1 683 3 parsed_1d0t 1
37 "C8 (unsure)" 688 1 690 3 parsed_1d0t 1
38 "C9 (trans)" 695 1 697 3 parsed_1d0t 1
39 "A10 (unsure)" 702 1 704 3 parsed_1d0t 1
40 "U11 (unsure- might be switching)" 709 1 711 3 parsed_1d0t 1
41 "U12 (gauche-)" 716 1 718 3 parsed_1d0t 1
42 "A13 (unsure)" 723 1 725 3 parsed_1d0t 1
43 "G14 (trans)" 730 1 732 3 parsed_1d0t 1
44 "G15 (trans)" 737 1 739 3 parsed_1d0t 1
45 "G16 (trans)" 744 1 746 3 parsed_1d0t 1
46 "A17 (unsure)" 751 1 753 3 parsed_1d0t 1
47 "U18 (unsure)" 758 1 760 3 parsed_1d0t 1
48 "C19 (trans)" 765 1 767 3 parsed_1d0t 1
49 "U20 (trans)" 772 1 774 3 parsed_1d0t 1
50
;
C21 (no constraint: no 3' phosphate in molecular model)
****************************************************************************
alpha
****************************************************************************
note: since all P31 shifts cluster together, alpha and zeta are being
constrained to exclude the trans conformation
G1 (no constraint: no 5' phosphate in molecular model)
G2
;
779 1 794 3 parsed_1d0t 1
51 G3 799 1 801 3 parsed_1d0t 1
52 A4 806 1 808 3 parsed_1d0t 1
53 U5 813 1 815 3 parsed_1d0t 1
54 C6 820 1 822 3 parsed_1d0t 1
55
;
A7
C8
C9
;
827 1 833 3 parsed_1d0t 1
56
;
A10
U11
U12
A13
G14
G15
;
838 1 850 3 parsed_1d0t 1
57
;
G16
A17
U18
;
855 1 861 3 parsed_1d0t 1
58 C19 866 1 868 3 parsed_1d0t 1
59 C20 873 1 875 3 parsed_1d0t 1
60 C21 880 1 882 3 parsed_1d0t 1
61
;
****************************************************************************
zeta
****************************************************************************
note: since all P31 shifts cluster together, alpha and zeta are being
constrained to within exclude the trans conformation
G1
;
887 1 898 3 parsed_1d0t 1
62 G2 903 1 905 3 parsed_1d0t 1
63 G3 910 1 912 3 parsed_1d0t 1
64 A4 917 1 919 3 parsed_1d0t 1
65 U5 924 1 926 3 parsed_1d0t 1
66
;
C6
A7
C8
;
931 1 937 3 parsed_1d0t 1
67
;
C9
A10
U11
U12
A13
G14
;
942 1 954 3 parsed_1d0t 1
68
;
G15
G16
A17
;
959 1 965 3 parsed_1d0t 1
69 U18 970 1 972 3 parsed_1d0t 1
70 C19 977 1 979 3 parsed_1d0t 1
71 C20 984 1 986 3 parsed_1d0t 1
72 "C21 (no constraint: no 3' phosphate in molecular model)" 991 1 993 3 parsed_1d0t 1
stop_
save_
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