NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
31145 |
1dvv   |
cing | 2-parsed | STAR | dihedral angle | 100 |
data_1dvv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1dvv
_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_1dvv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1dvv
_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 1dvv "Master copy" parsed_1dvv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1dvv
_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 1dvv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1dvv 1
1 1dvv.mr . . XPLOR/CNS 2 distance NOE simple 1545 parsed_1dvv 1
1 1dvv.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_1dvv 1
1 1dvv.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 100 parsed_1dvv 1
1 1dvv.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1dvv 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1dvv
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1dvv 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_1dvv 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1dvv 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_1dvv 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1dvv 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_1dvv 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1dvv 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_1dvv 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1dvv 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_1dvv 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1dvv 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_1dvv 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1dvv 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_1dvv 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1dvv 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_1dvv 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1dvv 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_1dvv 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1dvv 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_1dvv 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1dvv 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1dvv 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1dvv 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1dvv 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1dvv 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1dvv 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1dvv 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_1dvv 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1dvv 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_1dvv 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1dvv 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_1dvv 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1dvv 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_1dvv 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1dvv 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1dvv 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1dvv 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_1dvv 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1dvv 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_1dvv 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1dvv 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_1dvv 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1dvv 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_1dvv 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_1dvv 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_1dvv 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_1dvv 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 74 . n . 74 . ca . 74 . c . 75 . n parsed_1dvv 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1dvv 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 75 . n . 75 . ca . 75 . c . 76 . n parsed_1dvv 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1dvv 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 76 . n . 76 . ca . 76 . c . 77 . n parsed_1dvv 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1dvv 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_1dvv 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_1dvv 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_1dvv 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1dvv 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 79 . n . 79 . ca . 79 . c . 80 . n parsed_1dvv 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1dvv 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1dvv 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1dvv 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1dvv 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1dvv 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1dvv 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1dvv 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1dvv 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1dvv 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1dvv 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1dvv 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1dvv 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1dvv 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1dvv 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1dvv 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1dvv 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1dvv 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1dvv 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1dvv 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1dvv 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg2 parsed_1dvv 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . n . 10 . ca . 10 . cb . 10 . cg parsed_1dvv 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . n . 12 . ca . 12 . cb . 12 . sg parsed_1dvv 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_1dvv 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . n . 15 . ca . 15 . cb . 15 . sg parsed_1dvv 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_1dvv 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1dvv 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg2 parsed_1dvv 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_1dvv 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg parsed_1dvv 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . n . 30 . ca . 30 . cb . 30 . cg2 parsed_1dvv 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 33 . n . 33 . ca . 33 . cb . 33 . cg parsed_1dvv 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . n . 34 . ca . 34 . cb . 34 . cg parsed_1dvv 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1dvv 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 44 . n . 44 . ca . 44 . cb . 44 . cg parsed_1dvv 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 47 . n . 47 . ca . 47 . cb . 47 . cg parsed_1dvv 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . n . 55 . ca . 55 . cb . 55 . cg2 parsed_1dvv 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 56 . n . 56 . ca . 56 . cb . 56 . cg parsed_1dvv 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 61 . n . 61 . ca . 61 . cb . 61 . cg parsed_1dvv 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 64 . n . 64 . ca . 64 . cb . 64 . cg parsed_1dvv 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 74 . n . 74 . ca . 74 . cb . 74 . cg parsed_1dvv 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 77 . n . 77 . ca . 77 . cb . 77 . cg parsed_1dvv 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" 1 3 1 12 parsed_1dvv 1
2 "! 5" 6 3 6 12 parsed_1dvv 1
3 "! 6" 11 3 11 12 parsed_1dvv 1
4 "! 7" 16 3 16 12 parsed_1dvv 1
5 "! 8" 21 3 21 12 parsed_1dvv 1
6 "! 28" 26 3 26 12 parsed_1dvv 1
7 "! 29" 31 3 31 12 parsed_1dvv 1
8 "! 30" 36 3 36 12 parsed_1dvv 1
9 "! 31" 41 3 41 12 parsed_1dvv 1
10 "! 32" 46 3 46 12 parsed_1dvv 1
11 "! 41" 51 3 51 12 parsed_1dvv 1
12 "! 42" 56 3 56 12 parsed_1dvv 1
13 "! 43" 61 3 61 12 parsed_1dvv 1
14 "! 44" 66 3 66 12 parsed_1dvv 1
15 "! 45" 71 3 71 12 parsed_1dvv 1
16 "! 46" 76 3 76 12 parsed_1dvv 1
17 "! 47" 81 3 81 12 parsed_1dvv 1
18 "! 48" 86 3 86 12 parsed_1dvv 1
19 "! 69" 91 3 91 12 parsed_1dvv 1
20 "! 70" 96 3 96 12 parsed_1dvv 1
21 "! 71" 101 3 101 12 parsed_1dvv 1
22 "! 72" 106 3 106 12 parsed_1dvv 1
23 "! 73" 111 3 111 12 parsed_1dvv 1
24 "! 74" 116 3 116 12 parsed_1dvv 1
25 "! 75" 121 3 121 12 parsed_1dvv 1
26 "! 76" 126 3 126 12 parsed_1dvv 1
27 "! 77" 131 3 131 12 parsed_1dvv 1
28 "! 78" 136 3 136 12 parsed_1dvv 1
29 "! 79" 141 3 141 12 parsed_1dvv 1
30 "! 2" 147 3 147 11 parsed_1dvv 1
31 "! 12" 150 3 150 11 parsed_1dvv 1
32 "! 16" 153 3 153 11 parsed_1dvv 1
33 "! 17" 156 3 156 11 parsed_1dvv 1
34 "! 18" 159 3 159 11 parsed_1dvv 1
35 "! 20" 162 3 162 11 parsed_1dvv 1
36 "! 23" 165 3 165 11 parsed_1dvv 1
37 "! 26" 168 3 168 11 parsed_1dvv 1
38 "! 27" 171 3 171 11 parsed_1dvv 1
39 "! 33" 174 3 174 11 parsed_1dvv 1
40 "! 34" 177 3 177 11 parsed_1dvv 1
41 "! 35" 180 3 180 11 parsed_1dvv 1
42 "! 38" 183 3 183 11 parsed_1dvv 1
43 "! 40" 186 3 186 11 parsed_1dvv 1
44 "! 49" 189 3 189 11 parsed_1dvv 1
45 "! 59" 192 3 192 11 parsed_1dvv 1
46 "! 61" 195 3 195 11 parsed_1dvv 1
47 "! 64" 198 3 198 11 parsed_1dvv 1
48 "! 66" 201 3 201 11 parsed_1dvv 1
49 "! 68" 204 3 204 11 parsed_1dvv 1
50 "! V5 (g+)" 208 3 208 17 parsed_1dvv 1
51 "! K10 (t2g3)" 211 3 211 19 parsed_1dvv 1
52 "! C12 (t2g3)" 214 3 214 19 parsed_1dvv 1
53 "! M13 (t2g3)" 217 3 217 19 parsed_1dvv 1
54 "! C15 (t2g3)" 220 3 220 19 parsed_1dvv 1
55 "! H16 (t2g3)" 223 3 223 19 parsed_1dvv 1
56 "! M22 (t2g3)" 226 3 226 19 parsed_1dvv 1
57 "! V23 (g+)" 229 3 229 17 parsed_1dvv 1
58 "! Y27 (t2g3)" 232 3 232 19 parsed_1dvv 1
59 "! D29 (t2g3)" 235 3 235 19 parsed_1dvv 1
60 "! V30 (g+)" 238 3 238 17 parsed_1dvv 1
61 "! K33 (g2t3)" 241 3 241 19 parsed_1dvv 1
62 "! Y34 (t2g3)" 244 3 244 19 parsed_1dvv 1
63 "! Y43 (t2g3)" 247 3 247 19 parsed_1dvv 1
64 "! L44 (t2g3)" 250 3 250 19 parsed_1dvv 1
65 "! R47 (t2g3)" 253 3 253 19 parsed_1dvv 1
66 "! V55 (g+)" 256 3 256 17 parsed_1dvv 1
67 "! W56 (t2g3)" 259 3 259 19 parsed_1dvv 1
68 "! M61 (g2t3)" 262 3 262 19 parsed_1dvv 1
69 "! N64 (t2g3)" 265 3 265 19 parsed_1dvv 1
70 "! L74 (t2g3)" 268 3 268 19 parsed_1dvv 1
71 "! W77 (g2t3)" 271 3 271 19 parsed_1dvv 1
stop_
save_
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