NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
617629 |
5uzz   |
30258 | cing | 2-parsed | STAR | dihedral angle | 100 |
data_5uzz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5uzz
_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_5uzz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5uzz
_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 5uzz "Master copy" parsed_5uzz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5uzz
_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 5uzz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5uzz 1
1 5uzz.mr . . XPLOR/CNS 2 distance NOE simple 35 parsed_5uzz 1
1 5uzz.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_5uzz 1
1 5uzz.mr . . XPLOR/CNS 4 distance NOE simple 236 parsed_5uzz 1
1 5uzz.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 33 parsed_5uzz 1
1 5uzz.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 100 parsed_5uzz 1
1 5uzz.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_5uzz 1
1 5uzz.mr . . XPLOR/CNS 8 planarity "Not applicable" "Not applicable" 0 parsed_5uzz 1
1 5uzz.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5uzz 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5uzz
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 45.0 . . 22 . O4' . 22 . C1' . 22 . C2' . 22 . C3' parsed_5uzz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -25.0 . . 22 . C1' . 22 . C2' . 22 . C3' . 22 . C4' parsed_5uzz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 22 . c5' . 22 . c4' . 22 . c3' . 22 . o3' parsed_5uzz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 22 . O4' . 22 . C1' . 22 . N9 . 22 . C4 parsed_5uzz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 23 . O4' . 23 . C1' . 23 . C2' . 23 . C3' parsed_5uzz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 23 . C1' . 23 . C2' . 23 . C3' . 23 . C4' parsed_5uzz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 23 . c5' . 23 . c4' . 23 . c3' . 23 . o3' parsed_5uzz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -120.0 . . 23 . O4' . 23 . C1' . 23 . N9 . 23 . C4 parsed_5uzz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 22 . O3' . 23 . P . 23 . O5' . 23 . C5' parsed_5uzz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 23 . P . 23 . O5' . 23 . C5' . 23 . C4' parsed_5uzz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 23 . O5' . 23 . C5' . 23 . C4' . 23 . C3' parsed_5uzz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 23 . C4' . 23 . C3' . 23 . O3' . 24 . P parsed_5uzz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 23 . C3' . 23 . O3' . 24 . P . 24 . O5' parsed_5uzz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 24 . O4' . 24 . C1' . 24 . C2' . 24 . C3' parsed_5uzz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 24 . C1' . 24 . C2' . 24 . C3' . 24 . C4' parsed_5uzz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 24 . c5' . 24 . c4' . 24 . c3' . 24 . o3' parsed_5uzz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 24 . O4' . 24 . C1' . 24 . N1 . 24 . C2 parsed_5uzz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 23 . O3' . 24 . P . 24 . O5' . 24 . C5' parsed_5uzz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 24 . P . 24 . O5' . 24 . C5' . 24 . C4' parsed_5uzz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 24 . O5' . 24 . C5' . 24 . C4' . 24 . C3' parsed_5uzz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 24 . C4' . 24 . C3' . 24 . O3' . 25 . P parsed_5uzz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 24 . C3' . 24 . O3' . 25 . P . 25 . O5' parsed_5uzz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 25 . O4' . 25 . C1' . 25 . C2' . 25 . C3' parsed_5uzz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 25 . C1' . 25 . C2' . 25 . C3' . 25 . C4' parsed_5uzz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 25 . c5' . 25 . c4' . 25 . c3' . 25 . o3' parsed_5uzz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -120.0 . . 25 . O4' . 25 . C1' . 25 . N9 . 25 . C4 parsed_5uzz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 24 . O3' . 25 . P . 25 . O5' . 25 . C5' parsed_5uzz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 25 . P . 25 . O5' . 25 . C5' . 25 . C4' parsed_5uzz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 25 . O5' . 25 . C5' . 25 . C4' . 25 . C3' parsed_5uzz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 25 . C4' . 25 . C3' . 25 . O3' . 26 . P parsed_5uzz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 25 . C3' . 25 . O3' . 26 . P . 26 . O5' parsed_5uzz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 26 . O4' . 26 . C1' . 26 . C2' . 26 . C3' parsed_5uzz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 26 . C1' . 26 . C2' . 26 . C3' . 26 . C4' parsed_5uzz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 26 . c5' . 26 . c4' . 26 . c3' . 26 . o3' parsed_5uzz 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 26 . O4' . 26 . C1' . 26 . N1 . 26 . C2 parsed_5uzz 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 25 . O3' . 26 . P . 26 . O5' . 26 . C5' parsed_5uzz 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 26 . P . 26 . O5' . 26 . C5' . 26 . C4' parsed_5uzz 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 26 . O5' . 26 . C5' . 26 . C4' . 26 . C3' parsed_5uzz 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 26 . C4' . 26 . C3' . 26 . O3' . 27 . P parsed_5uzz 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 26 . C3' . 26 . O3' . 27 . P . 27 . O5' parsed_5uzz 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 27 . O4' . 27 . C1' . 27 . C2' . 27 . C3' parsed_5uzz 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 27 . C1' . 27 . C2' . 27 . C3' . 27 . C4' parsed_5uzz 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 27 . c5' . 27 . c4' . 27 . c3' . 27 . o3' parsed_5uzz 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 27 . O4' . 27 . C1' . 27 . N1 . 27 . C2 parsed_5uzz 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 26 . O3' . 27 . P . 27 . O5' . 27 . C5' parsed_5uzz 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 27 . P . 27 . O5' . 27 . C5' . 27 . C4' parsed_5uzz 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 27 . O5' . 27 . C5' . 27 . C4' . 27 . C3' parsed_5uzz 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 27 . C4' . 27 . C3' . 27 . O3' . 28 . P parsed_5uzz 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 27 . C3' . 27 . O3' . 28 . P . 28 . O5' parsed_5uzz 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 47 . O4' . 47 . C1' . 47 . C2' . 47 . C3' parsed_5uzz 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 47 . C1' . 47 . C2' . 47 . C3' . 47 . C4' parsed_5uzz 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 47 . c5' . 47 . c4' . 47 . c3' . 47 . o3' parsed_5uzz 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -120.0 . . 47 . O4' . 47 . C1' . 47 . N9 . 47 . C4 parsed_5uzz 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 46 . O3' . 47 . P . 47 . O5' . 47 . C5' parsed_5uzz 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 47 . P . 47 . O5' . 47 . C5' . 47 . C4' parsed_5uzz 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 47 . O5' . 47 . C5' . 47 . C4' . 47 . C3' parsed_5uzz 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 47 . C4' . 47 . C3' . 47 . O3' . 48 . P parsed_5uzz 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 47 . C3' . 47 . O3' . 48 . P . 48 . O5' parsed_5uzz 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 48 . O4' . 48 . C1' . 48 . C2' . 48 . C3' parsed_5uzz 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 48 . C1' . 48 . C2' . 48 . C3' . 48 . C4' parsed_5uzz 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 48 . c5' . 48 . c4' . 48 . c3' . 48 . o3' parsed_5uzz 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -120.0 . . 48 . O4' . 48 . C1' . 48 . N9 . 48 . C4 parsed_5uzz 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 47 . O3' . 48 . P . 48 . O5' . 48 . C5' parsed_5uzz 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 48 . P . 48 . O5' . 48 . C5' . 48 . C4' parsed_5uzz 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 48 . O5' . 48 . C5' . 48 . C4' . 48 . C3' parsed_5uzz 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 48 . C4' . 48 . C3' . 48 . O3' . 49 . P parsed_5uzz 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 48 . C3' . 48 . O3' . 49 . P . 49 . O5' parsed_5uzz 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 49 . O4' . 49 . C1' . 49 . C2' . 49 . C3' parsed_5uzz 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 49 . C1' . 49 . C2' . 49 . C3' . 49 . C4' parsed_5uzz 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 49 . c5' . 49 . c4' . 49 . c3' . 49 . o3' parsed_5uzz 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 49 . O4' . 49 . C1' . 49 . N1 . 49 . C2 parsed_5uzz 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 48 . O3' . 49 . P . 49 . O5' . 49 . C5' parsed_5uzz 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 49 . P . 49 . O5' . 49 . C5' . 49 . C4' parsed_5uzz 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 49 . O5' . 49 . C5' . 49 . C4' . 49 . C3' parsed_5uzz 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 49 . C4' . 49 . C3' . 49 . O3' . 50 . P parsed_5uzz 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 49 . C3' . 49 . O3' . 50 . P . 50 . O5' parsed_5uzz 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 50 . O4' . 50 . C1' . 50 . C2' . 50 . C3' parsed_5uzz 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 50 . C1' . 50 . C2' . 50 . C3' . 50 . C4' parsed_5uzz 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 50 . c5' . 50 . c4' . 50 . c3' . 50 . o3' parsed_5uzz 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -120.0 . . 50 . O4' . 50 . C1' . 50 . N9 . 50 . C4 parsed_5uzz 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 49 . O3' . 50 . P . 50 . O5' . 50 . C5' parsed_5uzz 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 50 . P . 50 . O5' . 50 . C5' . 50 . C4' parsed_5uzz 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 50 . O5' . 50 . C5' . 50 . C4' . 50 . C3' parsed_5uzz 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 50 . C4' . 50 . C3' . 50 . O3' . 51 . P parsed_5uzz 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 50 . C3' . 50 . O3' . 51 . P . 51 . O5' parsed_5uzz 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 51 . O4' . 51 . C1' . 51 . C2' . 51 . C3' parsed_5uzz 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 51 . C1' . 51 . C2' . 51 . C3' . 51 . C4' parsed_5uzz 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 51 . c5' . 51 . c4' . 51 . c3' . 51 . o3' parsed_5uzz 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 50 . O3' . 51 . P . 51 . O5' . 51 . C5' parsed_5uzz 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 51 . P . 51 . O5' . 51 . C5' . 51 . C4' parsed_5uzz 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 51 . O5' . 51 . C5' . 51 . C4' . 51 . C3' parsed_5uzz 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 51 . C4' . 51 . C3' . 51 . O3' . 52 . P parsed_5uzz 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 51 . C3' . 51 . O3' . 52 . P . 52 . O5' parsed_5uzz 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -5.0 . . 52 . O4' . 52 . C1' . 52 . C2' . 52 . C3' parsed_5uzz 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 50.0 . . 52 . C1' . 52 . C2' . 52 . C3' . 52 . C4' parsed_5uzz 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 52 . c5' . 52 . c4' . 52 . c3' . 52 . o3' parsed_5uzz 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 52 . O4' . 52 . C1' . 52 . N1 . 52 . C2 parsed_5uzz 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 51 . O3' . 52 . P . 52 . O5' . 52 . C5' parsed_5uzz 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 52 . P . 52 . O5' . 52 . C5' . 52 . C4' parsed_5uzz 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 52 . O5' . 52 . C5' . 52 . C4' . 52 . C3' parsed_5uzz 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
;
Pucker is defined with ribose torsion angles nu1 and nu2.
nu1 = O4'-C1'-C2'-C3'
nu2 = C1'-C2'-C3'-C4'
"N" C3' endo:
nu1 = -20 +/- 10
nu2 = +35 +/- 5
"S" C2' endo:
nu1 = +35 +/- 5
nu2 = -35 +/- 5
See Saenger page 20.
C2' endo nucleotides (Judging from TOCSY): only if both H1'-H2'' and
H1'-H3' couplings both are strong (intensity of H1'-H3' even larger).
G1
;
2 1 15 11 parsed_5uzz 1
2 G2 28 1 29 11 parsed_5uzz 1
3 "backbone alpha" 42 1 42 16 parsed_5uzz 1
4 "backbone beta" 45 1 45 15 parsed_5uzz 1
5 "backbone gama" 48 1 48 15 parsed_5uzz 1
6 "backbone epsilon" 51 1 51 18 parsed_5uzz 1
7 "backbone zeta" 54 1 54 15 parsed_5uzz 1
8 U3 57 1 58 11 parsed_5uzz 1
9 "backbone alpha" 71 1 71 16 parsed_5uzz 1
10 "backbone beta" 74 1 74 15 parsed_5uzz 1
11 "backbone gama" 77 1 77 15 parsed_5uzz 1
12 "backbone epsilon" 80 1 80 18 parsed_5uzz 1
13 "backbone zeta" 83 1 83 15 parsed_5uzz 1
14 G4 86 1 87 11 parsed_5uzz 1
15 "backbone alpha" 100 1 100 16 parsed_5uzz 1
16 "backbone beta" 103 1 103 15 parsed_5uzz 1
17 "backbone gama" 106 1 106 15 parsed_5uzz 1
18 "backbone epsilon" 109 1 109 18 parsed_5uzz 1
19 "backbone zeta" 112 1 112 15 parsed_5uzz 1
20 U5 115 1 116 11 parsed_5uzz 1
21 "backbone alpha" 129 1 129 16 parsed_5uzz 1
22 "backbone beta" 132 1 132 15 parsed_5uzz 1
23 "backbone gama" 135 1 135 15 parsed_5uzz 1
24 "backbone epsilon" 138 1 138 18 parsed_5uzz 1
25 "backbone zeta" 141 1 141 15 parsed_5uzz 1
26 U6 145 1 145 11 parsed_5uzz 1
27 "backbone alpha" 158 1 158 16 parsed_5uzz 1
28 "backbone beta" 161 1 161 15 parsed_5uzz 1
29 "backbone gama" 164 1 164 15 parsed_5uzz 1
30 "backbone epsilon" 167 1 167 18 parsed_5uzz 1
31 "backbone zeta" 170 1 170 15 parsed_5uzz 1
32
;
G7
assign (resid 28 and name O4')
(resid 28 and name C1')
(resid 28 and name C2')
(resid 28 and name C3') 1.0 -20.0 15.0 2
assign (resid 28 and name C1')
(resid 28 and name C2')
(resid 28 and name C3')
(resid 28 and name C4') 1.0 35.0 15.0 2
assign (resid 28 and name c5') (resid 28 and name c4')
(resid 28 and name c3') (resid 28 and name o3') 1.0 80.0 25.0 2
assign (resid 28 and name O4') (resid 28 and name C1')
(resid 28 and name N9 ) (resid 28 and name C4 ) 1.0 -160.0 40.0 2
backbone alpha
assign (resid 27 and name O3') (resid 28 and name P )
(resid 28 and name O5') (resid 28 and name C5') 1.0 -60.0 40.0 2
backbone beta
assign (resid 28 and name P ) (resid 28 and name O5')
(resid 28 and name C5') (resid 28 and name C4') 1.0 180.0 50.0 2
backbone gama
assign (resid 28 and name O5') (resid 28 and name C5')
(resid 28 and name C4') (resid 28 and name C3') 1.0 60.0 40.0 2
backbone epsilon
assign (resid 28 and name C4') (resid 28 and name C3')
(resid 28 and name O3') (resid 29 and name P ) 1.0 -160.0 50.0 2
backbone zeta
assign (resid 28 and name C3') (resid 28 and name O3')
(resid 29 and name P ) (resid 29 and name O5') 1.0 -70.0 50.0 2
C25
assign (resid 46 and name O4')
(resid 46 and name C1')
(resid 46 and name C2')
(resid 46 and name C3') 1.0 -20.0 15.0 2
assign (resid 46 and name C1')
(resid 46 and name C2')
(resid 46 and name C3')
(resid 46 and name C4') 1.0 35.0 15.0 2
assign (resid 46 and name c5') (resid 46 and name c4')
(resid 46 and name c3') (resid 46 and name o3') 1.0 80.0 25.0 2
assign (resid 46 and name O4') (resid 46 and name C1')
(resid 46 and name N1 ) (resid 46 and name C2 ) 1.0 -150.0 90.0 2
backbone alpha
assign (resid 45 and name O3') (resid 46 and name P )
(resid 46 and name O5') (resid 46 and name C5') 1.0 -60.0 40.0 2
backbone beta
assign (resid 25 and name P ) (resid 25 and name O5')
(resid 25 and name C5') (resid 25 and name C4') 1.0 180.0 50.0 2
backbone gama
assign (resid 25 and name O5') (resid 25 and name C5')
(resid 25 and name C4') (resid 25 and name C3') 1.0 60.0 40.0 2
backbone epsilon
assign (resid 25 and name C4') (resid 25 and name C3')
(resid 25 and name O3') (resid 26 and name P ) 1.0 -160.0 50.0 2
backbone zeta
assign (resid 25 and name C3') (resid 25 and name O3')
(resid 26 and name P ) (resid 26 and name O5') 1.0 -70.0 50.0 2
A26
;
175 1 240 12 parsed_5uzz 1
33 "backbone alpha" 253 1 253 16 parsed_5uzz 1
34 "backbone beta" 256 1 256 15 parsed_5uzz 1
35 "backbone gama" 259 1 259 15 parsed_5uzz 1
36 "backbone epsilon" 262 1 262 18 parsed_5uzz 1
37 "backbone zeta" 265 1 265 15 parsed_5uzz 1
38 A27 269 1 270 12 parsed_5uzz 1
39 "backbone alpha" 283 1 283 16 parsed_5uzz 1
40 "backbone beta" 286 1 286 15 parsed_5uzz 1
41 "backbone gama" 289 1 289 15 parsed_5uzz 1
42 "backbone epsilon" 292 1 292 18 parsed_5uzz 1
43 "backbone zeta" 295 1 295 15 parsed_5uzz 1
44 C28 300 1 301 12 parsed_5uzz 1
45 "backbone alpha" 314 1 314 16 parsed_5uzz 1
46 "backbone beta" 317 1 317 15 parsed_5uzz 1
47 "backbone gama" 320 1 320 15 parsed_5uzz 1
48 "backbone epsilon" 323 1 323 18 parsed_5uzz 1
49 "backbone zeta" 326 1 326 15 parsed_5uzz 1
50 A29 329 1 330 12 parsed_5uzz 1
51 "backbone alpha" 343 1 343 16 parsed_5uzz 1
52 "backbone beta" 346 1 346 15 parsed_5uzz 1
53 "backbone gama" 349 1 349 15 parsed_5uzz 1
54 "backbone epsilon" 352 1 352 18 parsed_5uzz 1
55 "backbone zeta" 355 1 355 15 parsed_5uzz 1
56 C30 359 1 360 12 parsed_5uzz 1
57 "backbone alpha" 371 1 371 16 parsed_5uzz 1
58 "backbone beta" 374 1 374 15 parsed_5uzz 1
59 "backbone gama" 377 1 377 15 parsed_5uzz 1
60 "backbone epsilon" 380 1 380 18 parsed_5uzz 1
61 "backbone zeta" 383 1 383 15 parsed_5uzz 1
62 C31 386 1 387 12 parsed_5uzz 1
63 "backbone alpha" 400 1 400 16 parsed_5uzz 1
64 "backbone beta" 403 1 403 15 parsed_5uzz 1
65 "backbone gama" 406 1 406 15 parsed_5uzz 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 3: miR21_dihedral.tbl" 1 1 1 39 parsed_5uzz 1
stop_
save_
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