NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29379 |
1ato   |
cing | 2-parsed | STAR | dihedral angle | 100 |
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 0 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" 0 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" 0 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" 0 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 0 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" 0 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" 0 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 0 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 0 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 0 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" 0 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" 0 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 0 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_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_
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