NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
53739 |
2rp1   |
cing | 2-parsed | STAR | dihedral angle | 146 |
data_2rp1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rp1
_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_2rp1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rp1
_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 2rp1 "Master copy" parsed_2rp1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rp1
_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 2rp1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 2 distance NOE simple 66 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 24 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 4 distance NOE simple 614 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 118 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 6 planarity "Not applicable" "Not applicable" 0 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 146 parsed_2rp1 1
1 2rp1.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rp1 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rp1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 4 . o4' . 4 . c1' . 4 . c2' . 4 . c3' parsed_2rp1 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 4 . c1' . 4 . c2' . 4 . c3' . 4 . c4' parsed_2rp1 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 4 . c2' . 4 . c3' . 4 . c4' . 4 . o4' parsed_2rp1 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 5 . o4' . 5 . c1' . 5 . c2' . 5 . c3' parsed_2rp1 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 5 . c1' . 5 . c2' . 5 . c3' . 5 . c4' parsed_2rp1 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 5 . c2' . 5 . c3' . 5 . c4' . 5 . o4' parsed_2rp1 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 6 . o4' . 6 . c1' . 6 . c2' . 6 . c3' parsed_2rp1 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 6 . c1' . 6 . c2' . 6 . c3' . 6 . c4' parsed_2rp1 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 6 . c2' . 6 . c3' . 6 . c4' . 6 . o4' parsed_2rp1 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 7 . o4' . 7 . c1' . 7 . c2' . 7 . c3' parsed_2rp1 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 7 . c1' . 7 . c2' . 7 . c3' . 7 . c4' parsed_2rp1 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 7 . c2' . 7 . c3' . 7 . c4' . 7 . o4' parsed_2rp1 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 8 . o4' . 8 . c1' . 8 . c2' . 8 . c3' parsed_2rp1 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 8 . c1' . 8 . c2' . 8 . c3' . 8 . c4' parsed_2rp1 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 8 . c2' . 8 . c3' . 8 . c4' . 8 . o4' parsed_2rp1 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 9 . o4' . 9 . c1' . 9 . c2' . 9 . c3' parsed_2rp1 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 9 . c1' . 9 . c2' . 9 . c3' . 9 . c4' parsed_2rp1 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 9 . c2' . 9 . c3' . 9 . c4' . 9 . o4' parsed_2rp1 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 11 . o4' . 11 . c1' . 11 . c2' . 11 . c3' parsed_2rp1 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 11 . c1' . 11 . c2' . 11 . c3' . 11 . c4' parsed_2rp1 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 11 . c2' . 11 . c3' . 11 . c4' . 11 . o4' parsed_2rp1 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 12 . o4' . 12 . c1' . 12 . c2' . 12 . c3' parsed_2rp1 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 12 . c1' . 12 . c2' . 12 . c3' . 12 . c4' parsed_2rp1 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 12 . c2' . 12 . c3' . 12 . c4' . 12 . o4' parsed_2rp1 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 13 . o4' . 13 . c1' . 13 . c2' . 13 . c3' parsed_2rp1 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 13 . c1' . 13 . c2' . 13 . c3' . 13 . c4' parsed_2rp1 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 13 . c2' . 13 . c3' . 13 . c4' . 13 . o4' parsed_2rp1 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 14 . o4' . 14 . c1' . 14 . c2' . 14 . c3' parsed_2rp1 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 14 . c1' . 14 . c2' . 14 . c3' . 14 . c4' parsed_2rp1 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 55.0 . . 14 . c2' . 14 . c3' . 14 . c4' . 14 . o4' parsed_2rp1 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 15 . o4' . 15 . c1' . 15 . c2' . 15 . c3' parsed_2rp1 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 15 . c1' . 15 . c2' . 15 . c3' . 15 . c4' parsed_2rp1 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 55.0 . . 15 . c2' . 15 . c3' . 15 . c4' . 15 . o4' parsed_2rp1 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 16 . o4' . 16 . c1' . 16 . c2' . 16 . c3' parsed_2rp1 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 16 . c1' . 16 . c2' . 16 . c3' . 16 . c4' parsed_2rp1 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 16 . c2' . 16 . c3' . 16 . c4' . 16 . o4' parsed_2rp1 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 17 . o4' . 17 . c1' . 17 . c2' . 17 . c3' parsed_2rp1 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 17 . c1' . 17 . c2' . 17 . c3' . 17 . c4' parsed_2rp1 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 17 . c2' . 17 . c3' . 17 . c4' . 17 . o4' parsed_2rp1 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 18 . o4' . 18 . c1' . 18 . c2' . 18 . c3' parsed_2rp1 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 18 . c1' . 18 . c2' . 18 . c3' . 18 . c4' parsed_2rp1 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 18 . c2' . 18 . c3' . 18 . c4' . 18 . o4' parsed_2rp1 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 19 . o4' . 19 . c1' . 19 . c2' . 19 . c3' parsed_2rp1 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 19 . c1' . 19 . c2' . 19 . c3' . 19 . c4' parsed_2rp1 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 55.0 . . 19 . c2' . 19 . c3' . 19 . c4' . 19 . o4' parsed_2rp1 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 21 . o4' . 21 . c1' . 21 . c2' . 21 . c3' parsed_2rp1 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 21 . c1' . 21 . c2' . 21 . c3' . 21 . c4' parsed_2rp1 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 21 . c2' . 21 . c3' . 21 . c4' . 21 . o4' parsed_2rp1 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 22 . o4' . 22 . c1' . 22 . c2' . 22 . c3' parsed_2rp1 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 22 . c1' . 22 . c2' . 22 . c3' . 22 . c4' parsed_2rp1 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 22 . c2' . 22 . c3' . 22 . c4' . 22 . o4' parsed_2rp1 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 23 . o4' . 23 . c1' . 23 . c2' . 23 . c3' parsed_2rp1 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 23 . c1' . 23 . c2' . 23 . c3' . 23 . c4' parsed_2rp1 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 23 . c2' . 23 . c3' . 23 . c4' . 23 . o4' parsed_2rp1 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 24 . o4' . 24 . c1' . 24 . c2' . 24 . c3' parsed_2rp1 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 24 . c1' . 24 . c2' . 24 . c3' . 24 . c4' parsed_2rp1 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 24 . c2' . 24 . c3' . 24 . c4' . 24 . o4' parsed_2rp1 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 25 . o4' . 25 . c1' . 25 . c2' . 25 . c3' parsed_2rp1 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 25 . c1' . 25 . c2' . 25 . c3' . 25 . c4' parsed_2rp1 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 25 . c2' . 25 . c3' . 25 . c4' . 25 . o4' parsed_2rp1 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 26 . o4' . 26 . c1' . 26 . c2' . 26 . c3' parsed_2rp1 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 26 . c1' . 26 . c2' . 26 . c3' . 26 . c4' parsed_2rp1 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 26 . c2' . 26 . c3' . 26 . c4' . 26 . o4' parsed_2rp1 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 27 . o4' . 27 . c1' . 27 . c2' . 27 . c3' parsed_2rp1 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 27 . c1' . 27 . c2' . 27 . c3' . 27 . c4' parsed_2rp1 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 27 . c2' . 27 . c3' . 27 . c4' . 27 . o4' parsed_2rp1 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 28 . o4' . 28 . c1' . 28 . c2' . 28 . c3' parsed_2rp1 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 28 . c1' . 28 . c2' . 28 . c3' . 28 . c4' parsed_2rp1 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 28 . c2' . 28 . c3' . 28 . c4' . 28 . o4' parsed_2rp1 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 29 . o4' . 29 . c1' . 29 . c2' . 29 . c3' parsed_2rp1 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 29 . c1' . 29 . c2' . 29 . c3' . 29 . c4' parsed_2rp1 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 29 . c2' . 29 . c3' . 29 . c4' . 29 . o4' parsed_2rp1 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 30 . o4' . 30 . c1' . 30 . c2' . 30 . c3' parsed_2rp1 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 30 . c1' . 30 . c2' . 30 . c3' . 30 . c4' parsed_2rp1 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 30 . c2' . 30 . c3' . 30 . c4' . 30 . o4' parsed_2rp1 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 31 . o4' . 31 . c1' . 31 . c2' . 31 . c3' parsed_2rp1 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 31 . c1' . 31 . c2' . 31 . c3' . 31 . c4' parsed_2rp1 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 31 . c2' . 31 . c3' . 31 . c4' . 31 . o4' parsed_2rp1 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 65.0 . . 32 . o4' . 32 . c1' . 32 . c2' . 32 . c3' parsed_2rp1 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 32 . c1' . 32 . c2' . 32 . c3' . 32 . c4' parsed_2rp1 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 55.0 . . 32 . c2' . 32 . c3' . 32 . c4' . 32 . o4' parsed_2rp1 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_2rp1 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 4 . c3' . 4 . o3' . 5 . p . 5 . o5' parsed_2rp1 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 4 . o3' . 5 . p . 5 . o5' . 5 . c5' parsed_2rp1 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_2rp1 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 5 . o4' . 5 . c1' . 5 . n1 . 5 . c2 parsed_2rp1 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 5 . c4' . 5 . c3' . 5 . o3' . 6 . p parsed_2rp1 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 5 . c3' . 5 . o3' . 6 . p . 6 . o5' parsed_2rp1 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 5 . o3' . 6 . p . 6 . o5' . 6 . c5' parsed_2rp1 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 6 . p . 6 . o5' . 6 . c5' . 6 . c4' parsed_2rp1 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 6 . o4' . 6 . c1' . 6 . n1 . 6 . c2 parsed_2rp1 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 6 . c4' . 6 . c3' . 6 . o3' . 7 . p parsed_2rp1 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 6 . c3' . 6 . o3' . 7 . p . 7 . o5' parsed_2rp1 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 6 . o3' . 7 . p . 7 . o5' . 7 . c5' parsed_2rp1 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 7 . p . 7 . o5' . 7 . c5' . 7 . c4' parsed_2rp1 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 7 . o4' . 7 . c1' . 7 . n9 . 7 . c4 parsed_2rp1 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 7 . c4' . 7 . c3' . 7 . o3' . 8 . p parsed_2rp1 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 7 . c3' . 7 . o3' . 8 . p . 8 . o5' parsed_2rp1 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 7 . o3' . 8 . p . 8 . o5' . 8 . c5' parsed_2rp1 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 8 . p . 8 . o5' . 8 . c5' . 8 . c4' parsed_2rp1 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 8 . o4' . 8 . c1' . 8 . n9 . 8 . c4 parsed_2rp1 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 11 . c4' . 11 . c3' . 11 . o3' . 12 . p parsed_2rp1 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 11 . c3' . 11 . o3' . 12 . p . 12 . o5' parsed_2rp1 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 11 . o3' . 12 . p . 12 . o5' . 12 . c5' parsed_2rp1 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 12 . p . 12 . o5' . 12 . c5' . 12 . c4' parsed_2rp1 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 12 . o4' . 12 . c1' . 12 . n9 . 12 . c4 parsed_2rp1 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 12 . c4' . 12 . c3' . 12 . o3' . 13 . p parsed_2rp1 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 12 . c3' . 12 . o3' . 13 . p . 13 . o5' parsed_2rp1 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 12 . o3' . 13 . p . 13 . o5' . 13 . c5' parsed_2rp1 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 13 . p . 13 . o5' . 13 . c5' . 13 . c4' parsed_2rp1 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 13 . o4' . 13 . c1' . 13 . n1 . 13 . c2 parsed_2rp1 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 15 . c4' . 15 . c3' . 15 . o3' . 16 . p parsed_2rp1 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 15 . c3' . 15 . o3' . 16 . p . 16 . o5' parsed_2rp1 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 15 . o3' . 16 . p . 16 . o5' . 16 . c5' parsed_2rp1 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 16 . p . 16 . o5' . 16 . c5' . 16 . c4' parsed_2rp1 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 16 . o4' . 16 . c1' . 16 . n1 . 16 . c2 parsed_2rp1 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 16 . c4' . 16 . c3' . 16 . o3' . 17 . p parsed_2rp1 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 16 . c3' . 16 . o3' . 17 . p . 17 . o5' parsed_2rp1 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 16 . o3' . 17 . p . 17 . o5' . 17 . c5' parsed_2rp1 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 17 . p . 17 . o5' . 17 . c5' . 17 . c4' parsed_2rp1 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 17 . o4' . 17 . c1' . 17 . n9 . 17 . c4 parsed_2rp1 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 17 . c4' . 17 . c3' . 17 . o3' . 18 . p parsed_2rp1 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 17 . c3' . 17 . o3' . 18 . p . 18 . o5' parsed_2rp1 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 17 . o3' . 18 . p . 18 . o5' . 18 . c5' parsed_2rp1 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 18 . p . 18 . o5' . 18 . c5' . 18 . c4' parsed_2rp1 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 18 . o4' . 18 . c1' . 18 . n9 . 18 . c4 parsed_2rp1 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 27 . c4' . 27 . c3' . 27 . o3' . 28 . p parsed_2rp1 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 27 . c3' . 27 . o3' . 28 . p . 28 . o5' parsed_2rp1 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 27 . o3' . 28 . p . 28 . o5' . 28 . c5' parsed_2rp1 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 28 . p . 28 . o5' . 28 . c5' . 28 . c4' parsed_2rp1 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 28 . o4' . 28 . c1' . 28 . n9 . 28 . c4 parsed_2rp1 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 28 . c4' . 28 . c3' . 28 . o3' . 29 . p parsed_2rp1 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 28 . c3' . 28 . o3' . 29 . p . 29 . o5' parsed_2rp1 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 28 . o3' . 29 . p . 29 . o5' . 29 . c5' parsed_2rp1 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 29 . p . 29 . o5' . 29 . c5' . 29 . c4' parsed_2rp1 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 29 . o4' . 29 . c1' . 29 . n1 . 29 . c2 parsed_2rp1 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 29 . c4' . 29 . c3' . 29 . o3' . 30 . p parsed_2rp1 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 29 . c3' . 29 . o3' . 30 . p . 30 . o5' parsed_2rp1 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 29 . o3' . 30 . p . 30 . o5' . 30 . c5' parsed_2rp1 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 30 . p . 30 . o5' . 30 . c5' . 30 . c4' parsed_2rp1 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 30 . o4' . 30 . c1' . 30 . n1 . 30 . c2 parsed_2rp1 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 241.0 . . 30 . c4' . 30 . c3' . 30 . o3' . 31 . p parsed_2rp1 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 248.0 368.0 . . 30 . c3' . 30 . o3' . 31 . p . 31 . o5' parsed_2rp1 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 212.0 332.0 . . 30 . o3' . 31 . p . 31 . o5' . 31 . c5' parsed_2rp1 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 31 . p . 31 . o5' . 31 . c5' . 31 . c4' parsed_2rp1 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 265.0 . . 31 . o4' . 31 . c1' . 31 . n9 . 31 . c4 parsed_2rp1 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 "4, v1-v3, N-type" 1 1 1 1 parsed_2rp1 1
2 "5, v1-v3, N-type" 8 1 8 1 parsed_2rp1 1
3 "6, v1-v3, N-type" 15 1 15 1 parsed_2rp1 1
4 "7, v1-v3, N-type" 22 1 22 1 parsed_2rp1 1
5 "8, v1-v3, N-type" 29 1 29 1 parsed_2rp1 1
6 "9, v1-v3, N-type" 36 1 36 1 parsed_2rp1 1
7 "11, v1-v3, N-type" 43 1 43 1 parsed_2rp1 1
8 "12, v1-v3, N-type" 50 1 50 1 parsed_2rp1 1
9 "13, v1-v3, N-type" 57 1 57 1 parsed_2rp1 1
10 "14, v1-v3, S-type" 64 1 64 1 parsed_2rp1 1
11 "15, v1-v3, S-type" 71 1 71 1 parsed_2rp1 1
12 "16, v1-v3, N-type" 78 1 78 1 parsed_2rp1 1
13 "17, v1-v3, N-type" 85 1 85 1 parsed_2rp1 1
14 "18, v1-v3, N-type" 92 1 92 1 parsed_2rp1 1
15 "19, v1-v3, S-type" 99 1 99 1 parsed_2rp1 1
16 "20, unrestrained" 106 1 106 1 parsed_2rp1 1
17 "21, v1-v3, N-type" 107 1 107 1 parsed_2rp1 1
18 "22, v1-v3, N-type" 114 1 114 1 parsed_2rp1 1
19 "23, v1-v3, N-type" 121 1 121 1 parsed_2rp1 1
20 "24, v1-v3, N-type" 128 1 128 1 parsed_2rp1 1
21 "25, v1-v3, N-type" 135 1 135 1 parsed_2rp1 1
22 "26, v1-v3, N-type" 142 1 142 1 parsed_2rp1 1
23 "27, v1-v3, N-type" 149 1 149 1 parsed_2rp1 1
24 "28, v1-v3, N-type" 156 1 156 1 parsed_2rp1 1
25 "29, v1-v3, N-type" 163 1 163 1 parsed_2rp1 1
26 "30, v1-v3, N-type" 170 1 170 1 parsed_2rp1 1
27 "31, v1-v3, N-type" 177 1 177 1 parsed_2rp1 1
28 "32, v1-v3, S-type" 184 1 184 1 parsed_2rp1 1
29 "4 5 Epsilon, Zeta, Alpha, Beta, Chi" 191 1 191 1 parsed_2rp1 1
30 "5 6 Epsilon, Zeta, Alpha, Beta, Chi" 202 1 202 1 parsed_2rp1 1
31 "6 7 Epsilon, Zeta, Alpha, Beta, Chi" 213 1 213 1 parsed_2rp1 1
32 "7 8 Epsilon, Zeta, Alpha, Beta, Chi" 224 1 224 1 parsed_2rp1 1
33 "11 12 Epsilon, Zeta, Alpha, Beta, Chi" 235 1 235 1 parsed_2rp1 1
34 "12 13 Epsilon, Zeta, Alpha, Beta, Chi" 246 1 246 1 parsed_2rp1 1
35 "15 16 Epsilon, Zeta, Alpha, Beta, Chi" 257 1 257 1 parsed_2rp1 1
36 "16 17 Epsilon, Zeta, Alpha, Beta, Chi" 268 1 268 1 parsed_2rp1 1
37 "17 18 Epsilon, Zeta, Alpha, Beta, Chi" 279 1 279 1 parsed_2rp1 1
38
;
{ 22 23 Epsilon, Zeta, Alpha, Beta, Chi}
assign (resid 22 and name c4') (resid 22 and name c3')
(resid 22 and name o3') (resid 23 and name p ) 1.0 181.0 60.0 4
assign (resid 22 and name c3') (resid 22 and name o3')
(resid 23 and name p ) (resid 23 and name o5') 1.0 308.0 60.0 4
assign (resid 22 and name o3') (resid 23 and name p )
(resid 23 and name o5') (resid 23 and name c5') 1.0 272.0 60.0 4
assign (resid 23 and name p ) (resid 23 and name o5')
(resid 23 and name c5') (resid 23 and name c4') 1.0 205.0 60.0 4
assign (resid 23 and name o4') (resid 23 and name c1')
(resid 23 and name n1 ) (resid 23 and name c4 ) 1.0 205.0 60.0 4
{ 23 24 Epsilon, Zeta, Alpha, Beta, Chi}
assign (resid 23 and name c4') (resid 23 and name c3')
(resid 23 and name o3') (resid 24 and name p ) 1.0 181.0 60.0 4
assign (resid 23 and name c3') (resid 23 and name o3')
(resid 24 and name p ) (resid 24 and name o5') 1.0 308.0 60.0 4
assign (resid 23 and name o3') (resid 24 and name p )
(resid 24 and name o5') (resid 24 and name c5') 1.0 272.0 60.0 4
assign (resid 24 and name p ) (resid 24 and name o5')
(resid 24 and name c5') (resid 24 and name c4') 1.0 205.0 60.0 4
assign (resid 24 and name o4') (resid 24 and name c1')
(resid 24 and name n1 ) (resid 24 and name c2 ) 1.0 205.0 60.0 4
{ 24 25 Epsilon, Zeta, Alpha, Beta, Chi}
assign (resid 24 and name c4') (resid 24 and name c3')
(resid 24 and name o3') (resid 25 and name p ) 1.0 181.0 60.0 4
assign (resid 24 and name c3') (resid 24 and name o3')
(resid 25 and name p ) (resid 25 and name o5') 1.0 308.0 60.0 4
assign (resid 24 and name o3') (resid 25 and name p )
(resid 25 and name o5') (resid 25 and name c5') 1.0 272.0 60.0 4
assign (resid 25 and name p ) (resid 25 and name o5')
(resid 25 and name c5') (resid 25 and name c4') 1.0 205.0 60.0 4
assign (resid 25 and name o4') (resid 25 and name c1')
(resid 25 and name n9 ) (resid 25 and name c4 ) 1.0 205.0 60.0 4
;
290 1 322 75 parsed_2rp1 1
39 "27 28 Epsilon, Zeta, Alpha, Beta, Chi" 323 1 323 1 parsed_2rp1 1
40 "28 29 Epsilon, Zeta, Alpha, Beta, Chi" 334 1 334 1 parsed_2rp1 1
41 "29 30 Epsilon, Zeta, Alpha, Beta, Chi" 345 1 345 1 parsed_2rp1 1
42 "30 31 Epsilon, Zeta, Alpha, Beta, Chi" 356 1 356 1 parsed_2rp1 1
stop_
save_
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